smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000008161705 530210579 /nfs/dbraw/zinc/21/05/79/530210579.db2.gz JYGCVOYHGXPCMC-UHFFFAOYSA-N -1 3 384.639 -0.018 20 0 GBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1cccc(-n2cnnn2)c1 ZINC000009734527 530100141 /nfs/dbraw/zinc/10/01/41/530100141.db2.gz NRHHSXXEENUACX-UHFFFAOYSA-N -1 3 392.173 -0.087 20 0 GBADHM Cc1cc(C)c(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c(=O)[nH]1 ZINC000012825997 530105039 /nfs/dbraw/zinc/10/50/39/530105039.db2.gz IBTYBJUCYINESU-UHFFFAOYSA-N -1 3 383.202 -0.079 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)NC[C@@H]1CCCO1 ZINC000019610249 638284460 /nfs/dbraw/zinc/28/44/60/638284460.db2.gz FHYKRSCKLGBVET-NSHDSACASA-N -1 3 375.403 -0.592 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)NC[C@H]1CCCO1 ZINC000019610250 638284497 /nfs/dbraw/zinc/28/44/97/638284497.db2.gz FHYKRSCKLGBVET-LLVKDONJSA-N 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-0.354 20 0 GBADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(F)c1 ZINC000265643052 530216360 /nfs/dbraw/zinc/21/63/60/530216360.db2.gz WDUKOCWJWPKRCJ-KBPBESRZSA-N -1 3 392.474 -0.090 20 0 GBADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(F)c1 ZINC000265643053 530216207 /nfs/dbraw/zinc/21/62/07/530216207.db2.gz WDUKOCWJWPKRCJ-KGLIPLIRSA-N -1 3 392.474 -0.090 20 0 GBADHM Cc1ccc(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(F)c1 ZINC000265643054 530216385 /nfs/dbraw/zinc/21/63/85/530216385.db2.gz WDUKOCWJWPKRCJ-UONOGXRCSA-N -1 3 392.474 -0.090 20 0 GBADHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(F)c1 ZINC000265643055 530216382 /nfs/dbraw/zinc/21/63/82/530216382.db2.gz WDUKOCWJWPKRCJ-ZIAGYGMSSA-N -1 3 392.474 -0.090 20 0 GBADHM CCOC(=O)C1(O)CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000265796668 530216262 /nfs/dbraw/zinc/21/62/62/530216262.db2.gz VRMAJMLKEZXIAE-UHFFFAOYSA-N -1 3 376.456 -0.057 20 0 GBADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000265960524 530216754 /nfs/dbraw/zinc/21/67/54/530216754.db2.gz GOXHUYGAGKONQB-SSDOTTSWSA-N -1 3 380.220 -0.643 20 0 GBADHM C[C@H]1CS(=O)(=O)CCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000265960528 530216713 /nfs/dbraw/zinc/21/67/13/530216713.db2.gz GOXHUYGAGKONQB-ZETCQYMHSA-N -1 3 380.220 -0.643 20 0 GBADHM CS(=O)(=O)CCS(=O)(=O)[N-]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000265979700 530216807 /nfs/dbraw/zinc/21/68/07/530216807.db2.gz FGBAYUKHDWCRSQ-HNNXBMFYSA-N -1 3 376.500 -0.149 20 0 GBADHM CS(=O)(=O)CCS(=O)(=O)[N-]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000265979702 530216622 /nfs/dbraw/zinc/21/66/22/530216622.db2.gz FGBAYUKHDWCRSQ-OAHLLOKOSA-N -1 3 376.500 -0.149 20 0 GBADHM CS(=O)(=O)CCOCCNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000265980050 530216520 /nfs/dbraw/zinc/21/65/20/530216520.db2.gz NLWMQXBRFAOYOG-UHFFFAOYSA-N -1 3 384.501 -0.406 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCOCCS(C)(=O)=O ZINC000265992877 530216720 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GBADHM CS(=O)(=O)CCS(=O)(=O)[N-][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000266101458 530216912 /nfs/dbraw/zinc/21/69/12/530216912.db2.gz AFGZACCJTRNNED-SNVBAGLBSA-N -1 3 399.288 -0.061 20 0 GBADHM CS(=O)(=O)[C@H]1CSCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000266125411 530217039 /nfs/dbraw/zinc/21/70/39/530217039.db2.gz XPQFOSNLIKFXJZ-JTQLQIEISA-N -1 3 384.526 -0.028 20 0 GBADHM CS(=O)(=O)[C@@H]1CSCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000266125412 530217137 /nfs/dbraw/zinc/21/71/37/530217137.db2.gz XPQFOSNLIKFXJZ-SNVBAGLBSA-N -1 3 384.526 -0.028 20 0 GBADHM COc1ccc(CN2CC[C@H]([N-]S(=O)(=O)CCS(C)(=O)=O)C2=O)cc1 ZINC000266151509 530217115 /nfs/dbraw/zinc/21/71/15/530217115.db2.gz JGZUREWJSKFWFJ-AWEZNQCLSA-N -1 3 390.483 -0.240 20 0 GBADHM COc1ccc(CN2CC[C@@H]([N-]S(=O)(=O)CCS(C)(=O)=O)C2=O)cc1 ZINC000266151511 530217130 /nfs/dbraw/zinc/21/71/30/530217130.db2.gz JGZUREWJSKFWFJ-CQSZACIVSA-N -1 3 390.483 -0.240 20 0 GBADHM CS(=O)(=O)CCS(=O)(=O)[N-]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000266185208 530216868 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CCOC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000266606055 530217605 /nfs/dbraw/zinc/21/76/05/530217605.db2.gz YRKYNEFPVIJFOM-UHFFFAOYSA-N -1 3 389.455 -0.033 20 0 GBADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000266613043 530217700 /nfs/dbraw/zinc/21/77/00/530217700.db2.gz GYHFNHOQNSQTRW-MRVPVSSYSA-N -1 3 375.428 -0.377 20 0 GBADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000266613046 530217825 /nfs/dbraw/zinc/21/78/25/530217825.db2.gz GYHFNHOQNSQTRW-QMMMGPOBSA-N -1 3 375.428 -0.377 20 0 GBADHM CC1N=NC(=S)N1CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000266634816 530217719 /nfs/dbraw/zinc/21/77/19/530217719.db2.gz SQZMUZVJMXPTPT-UHFFFAOYSA-N -1 3 389.235 -0.284 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000266700858 530217910 /nfs/dbraw/zinc/21/79/10/530217910.db2.gz FYKXMLIRLPKIMK-LLVKDONJSA-N -1 3 388.515 -0.177 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000266700859 530217834 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CC(C)OCCS(=O)(=O)NCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000267133925 944626166 /nfs/dbraw/zinc/62/61/66/944626166.db2.gz MEMWNXIXVHJDRG-UHFFFAOYSA-N -1 3 382.446 -0.173 20 0 GBADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCCN2C(=O)CNC2=O)s1 ZINC000267144098 530218153 /nfs/dbraw/zinc/21/81/53/530218153.db2.gz AKCRSQIDLPGMDO-UHFFFAOYSA-N -1 3 391.427 -0.237 20 0 GBADHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000267158662 530218159 /nfs/dbraw/zinc/21/81/59/530218159.db2.gz RUMRSRCMSRJOAY-UHFFFAOYSA-N -1 3 379.460 -0.383 20 0 GBADHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000267166322 530218134 /nfs/dbraw/zinc/21/81/34/530218134.db2.gz GXYSAGHCBIVVSH-UHFFFAOYSA-N -1 3 386.473 -0.239 20 0 GBADHM CC(C)OCCS(=O)(=O)[N-]CC(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC000267174516 530218169 /nfs/dbraw/zinc/21/81/69/530218169.db2.gz VKYLWNSIGNBGNJ-UHFFFAOYSA-N -1 3 393.487 -0.242 20 0 GBADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)s1 ZINC000267181961 530218544 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COc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)[n-]1 ZINC000272492998 1072382629 /nfs/dbraw/zinc/38/26/29/1072382629.db2.gz NCRYFIQSMOIAMR-MRVPVSSYSA-N -1 3 380.386 -0.548 20 0 GBADHM COc1n[n-]c(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1 ZINC000272493012 1072383426 /nfs/dbraw/zinc/38/34/26/1072383426.db2.gz NCRYFIQSMOIAMR-QMMMGPOBSA-N -1 3 380.386 -0.548 20 0 GBADHM COc1nc(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n[n-]1 ZINC000272493012 1072383422 /nfs/dbraw/zinc/38/34/22/1072383422.db2.gz NCRYFIQSMOIAMR-QMMMGPOBSA-N -1 3 380.386 -0.548 20 0 GBADHM COc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)[n-]1 ZINC000272493012 1072383418 /nfs/dbraw/zinc/38/34/18/1072383418.db2.gz NCRYFIQSMOIAMR-QMMMGPOBSA-N -1 3 380.386 -0.548 20 0 GBADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCNC(=O)c2ccn[nH]2)s1 ZINC000272554267 530231445 /nfs/dbraw/zinc/23/14/45/530231445.db2.gz NUALOFUTDVXUCP-UHFFFAOYSA-N -1 3 386.459 -0.392 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)NCCNC(=O)c1ccn[nH]1 ZINC000272557969 530231259 /nfs/dbraw/zinc/23/12/59/530231259.db2.gz ODKZZGWTEVROLE-UHFFFAOYSA-N -1 3 386.459 -0.521 20 0 GBADHM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2nc(OC)n[n-]2)cc1 ZINC000272604392 1072386390 /nfs/dbraw/zinc/38/63/90/1072386390.db2.gz YXYGUKXLRBVOBL-UHFFFAOYSA-N -1 3 383.386 -0.093 20 0 GBADHM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2n[n-]c(OC)n2)cc1 ZINC000272604392 1072386379 /nfs/dbraw/zinc/38/63/79/1072386379.db2.gz YXYGUKXLRBVOBL-UHFFFAOYSA-N -1 3 383.386 -0.093 20 0 GBADHM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2nnc(OC)[n-]2)cc1 ZINC000272604392 1072386369 /nfs/dbraw/zinc/38/63/69/1072386369.db2.gz YXYGUKXLRBVOBL-UHFFFAOYSA-N -1 3 383.386 -0.093 20 0 GBADHM COc1n[n-]c(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n1 ZINC000272604481 530231516 /nfs/dbraw/zinc/23/15/16/530231516.db2.gz YZGTTYXKWWZCCD-UHFFFAOYSA-N -1 3 383.166 -0.342 20 0 GBADHM COc1nc(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n[n-]1 ZINC000272604481 530231513 /nfs/dbraw/zinc/23/15/13/530231513.db2.gz YZGTTYXKWWZCCD-UHFFFAOYSA-N -1 3 383.166 -0.342 20 0 GBADHM COc1nnc(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)[n-]1 ZINC000272604481 530231511 /nfs/dbraw/zinc/23/15/11/530231511.db2.gz YZGTTYXKWWZCCD-UHFFFAOYSA-N -1 3 383.166 -0.342 20 0 GBADHM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]N1CCCNC1=O ZINC000272605528 1072386578 /nfs/dbraw/zinc/38/65/78/1072386578.db2.gz QEWJYWMLHPINEG-UHFFFAOYSA-N -1 3 398.441 -0.224 20 0 GBADHM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCN2CCNC(=O)C2)c1 ZINC000272627141 530231351 /nfs/dbraw/zinc/23/13/51/530231351.db2.gz ACBOJRMYKIPVIK-UHFFFAOYSA-N -1 3 395.890 -0.546 20 0 GBADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCN2CCNC(=O)C2)c(Cl)c1 ZINC000272628419 530231464 /nfs/dbraw/zinc/23/14/64/530231464.db2.gz AKWYPWYNTQSZKI-UHFFFAOYSA-N -1 3 375.834 -0.163 20 0 GBADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000272672307 1072388731 /nfs/dbraw/zinc/38/87/31/1072388731.db2.gz QLFYJUVUWZMMEQ-BLLLJJGKSA-N -1 3 375.425 -0.048 20 0 GBADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000272672309 1072388889 /nfs/dbraw/zinc/38/88/89/1072388889.db2.gz QLFYJUVUWZMMEQ-LRDDRELGSA-N -1 3 375.425 -0.048 20 0 GBADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000272672312 1072388661 /nfs/dbraw/zinc/38/86/61/1072388661.db2.gz QLFYJUVUWZMMEQ-MLGOLLRUSA-N -1 3 375.425 -0.048 20 0 GBADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000272672314 1072388855 /nfs/dbraw/zinc/38/88/55/1072388855.db2.gz QLFYJUVUWZMMEQ-WBMJQRKESA-N -1 3 375.425 -0.048 20 0 GBADHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCN2CCNC(=O)C2)c1 ZINC000272690548 530231783 /nfs/dbraw/zinc/23/17/83/530231783.db2.gz PLAYKYSWDHFYLD-UHFFFAOYSA-N -1 3 375.834 -0.163 20 0 GBADHM COC(=O)c1cc(S(=O)(=O)[N-]CCN2CCNC(=O)C2)cc(F)c1F ZINC000272694681 530231587 /nfs/dbraw/zinc/23/15/87/530231587.db2.gz QMVIOKKWDNPDKE-UHFFFAOYSA-N -1 3 377.369 -0.539 20 0 GBADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000272699339 1072390161 /nfs/dbraw/zinc/39/01/61/1072390161.db2.gz VXCNRPVQHSOKKT-BLLLJJGKSA-N -1 3 375.425 -0.048 20 0 GBADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000272699341 1072390238 /nfs/dbraw/zinc/39/02/38/1072390238.db2.gz VXCNRPVQHSOKKT-LRDDRELGSA-N -1 3 375.425 -0.048 20 0 GBADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000272699343 1072390074 /nfs/dbraw/zinc/39/00/74/1072390074.db2.gz VXCNRPVQHSOKKT-MLGOLLRUSA-N -1 3 375.425 -0.048 20 0 GBADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000272699345 1072390539 /nfs/dbraw/zinc/39/05/39/1072390539.db2.gz VXCNRPVQHSOKKT-WBMJQRKESA-N -1 3 375.425 -0.048 20 0 GBADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000272712926 530231888 /nfs/dbraw/zinc/23/18/88/530231888.db2.gz YDDMLABMPKIKGJ-BXKDBHETSA-N -1 3 375.472 -0.582 20 0 GBADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000272712927 530231891 /nfs/dbraw/zinc/23/18/91/530231891.db2.gz YDDMLABMPKIKGJ-CABZTGNLSA-N -1 3 375.472 -0.582 20 0 GBADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000272712928 530231702 /nfs/dbraw/zinc/23/17/02/530231702.db2.gz YDDMLABMPKIKGJ-JOYOIKCWSA-N -1 3 375.472 -0.582 20 0 GBADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000272712929 530231843 /nfs/dbraw/zinc/23/18/43/530231843.db2.gz YDDMLABMPKIKGJ-SKDRFNHKSA-N -1 3 375.472 -0.582 20 0 GBADHM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCN1CCNC(=O)C1 ZINC000272721520 530231825 /nfs/dbraw/zinc/23/18/25/530231825.db2.gz XPGWPCQHUZHSBG-UHFFFAOYSA-N -1 3 375.834 -0.163 20 0 GBADHM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCN1CCNC(=O)C1 ZINC000272724562 530231731 /nfs/dbraw/zinc/23/17/31/530231731.db2.gz YHKIZJNAPLEULD-UHFFFAOYSA-N -1 3 375.834 -0.163 20 0 GBADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCN2CCNC(=O)C2)s1 ZINC000272731739 530231909 /nfs/dbraw/zinc/23/19/09/530231909.db2.gz ZUGCBNKBVLVTRL-UHFFFAOYSA-N -1 3 377.444 -0.747 20 0 GBADHM O=C(c1cccc([O-])c1)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000272738989 530231863 /nfs/dbraw/zinc/23/18/63/530231863.db2.gz IEFKYSPPYOONFV-AWEZNQCLSA-N -1 3 388.467 -0.333 20 0 GBADHM O=C(c1cccc([O-])c1)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000272738992 530231678 /nfs/dbraw/zinc/23/16/78/530231678.db2.gz IEFKYSPPYOONFV-CQSZACIVSA-N -1 3 388.467 -0.333 20 0 GBADHM CN1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc(O)cc3[O-])CC2)CC1 ZINC000272740354 1072392719 /nfs/dbraw/zinc/39/27/19/1072392719.db2.gz IGLIDDJPOVDVJT-UHFFFAOYSA-N -1 3 384.458 -0.652 20 0 GBADHM COC(=O)c1cc(S(=O)(=O)[N-]CCNC(=O)N(C)C)c(C(=O)OC)s1 ZINC000272781382 530231638 /nfs/dbraw/zinc/23/16/38/530231638.db2.gz HTCJPYHHVNVSDU-UHFFFAOYSA-N -1 3 393.443 -0.129 20 0 GBADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nn1cn[nH]c1=O ZINC000272862880 530231624 /nfs/dbraw/zinc/23/16/24/530231624.db2.gz MJZFXTAMGKDPCK-JTQLQIEISA-N -1 3 389.434 -0.119 20 0 GBADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nn1cn[nH]c1=O ZINC000272862886 530231643 /nfs/dbraw/zinc/23/16/43/530231643.db2.gz MJZFXTAMGKDPCK-SNVBAGLBSA-N -1 3 389.434 -0.119 20 0 GBADHM COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)[N-]n2cn[nH]c2=O)cc1 ZINC000272905254 1072404345 /nfs/dbraw/zinc/40/43/45/1072404345.db2.gz QJHYUDRDBUTTDU-UHFFFAOYSA-N -1 3 399.429 -0.761 20 0 GBADHM O=C(NCCN1CCNC(=O)C1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000272910691 1072404109 /nfs/dbraw/zinc/40/41/09/1072404109.db2.gz JLCLAHLEADRZRB-UHFFFAOYSA-N -1 3 375.429 -0.709 20 0 GBADHM O=C([N-]n1cn[nH]c1=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000272913804 530231878 /nfs/dbraw/zinc/23/18/78/530231878.db2.gz RUGPBKQXQCIZLD-UHFFFAOYSA-N -1 3 386.821 -0.209 20 0 GBADHM CNC(=O)[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000272966479 530232355 /nfs/dbraw/zinc/23/23/55/530232355.db2.gz IMQWXNALVJGSCS-JTQLQIEISA-N -1 3 376.460 -0.817 20 0 GBADHM CNC(=O)[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)CCO1 ZINC000272966482 530232301 /nfs/dbraw/zinc/23/23/01/530232301.db2.gz IMQWXNALVJGSCS-SNVBAGLBSA-N -1 3 376.460 -0.817 20 0 GBADHM CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC(CO)CO ZINC000273314079 530232369 /nfs/dbraw/zinc/23/23/69/530232369.db2.gz ITLAUZGXGFSVBV-GFCCVEGCSA-N -1 3 380.463 -0.305 20 0 GBADHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC(CO)CO ZINC000273314081 530232289 /nfs/dbraw/zinc/23/22/89/530232289.db2.gz ITLAUZGXGFSVBV-LBPRGKRZSA-N -1 3 380.463 -0.305 20 0 GBADHM O=C(NC(CO)CO)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000273367927 530232798 /nfs/dbraw/zinc/23/27/98/530232798.db2.gz XIYJECTZSVDLKZ-GFCCVEGCSA-N -1 3 392.861 -0.120 20 0 GBADHM O=C(NC(CO)CO)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000273367932 530232637 /nfs/dbraw/zinc/23/26/37/530232637.db2.gz XIYJECTZSVDLKZ-LBPRGKRZSA-N -1 3 392.861 -0.120 20 0 GBADHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]CCCOCCO)c1 ZINC000273398372 530232489 /nfs/dbraw/zinc/23/24/89/530232489.db2.gz GBXFTMSHGJGVEF-UHFFFAOYSA-N -1 3 375.399 -0.063 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000273424285 1072422924 /nfs/dbraw/zinc/42/29/24/1072422924.db2.gz WEDFMSOQJCBREG-CYBMUJFWSA-N -1 3 377.397 -0.289 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000273424287 1072423259 /nfs/dbraw/zinc/42/32/59/1072423259.db2.gz WEDFMSOQJCBREG-ZDUSSCGKSA-N -1 3 377.397 -0.289 20 0 GBADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CO)C(=O)OC)cc1F ZINC000273426848 530232767 /nfs/dbraw/zinc/23/27/67/530232767.db2.gz FHBPQXADQYPMAF-LLVKDONJSA-N -1 3 384.407 -0.601 20 0 GBADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)OC)cc1F ZINC000273426849 530232780 /nfs/dbraw/zinc/23/27/80/530232780.db2.gz FHBPQXADQYPMAF-NSHDSACASA-N -1 3 384.407 -0.601 20 0 GBADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)c([O-])c1 ZINC000273438180 1072423322 /nfs/dbraw/zinc/42/33/22/1072423322.db2.gz YXGRUOIUBOXHAE-CYBMUJFWSA-N -1 3 398.485 -0.148 20 0 GBADHM Cc1ccc(C(=O)NCCC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)c([O-])c1 ZINC000273438185 1072422761 /nfs/dbraw/zinc/42/27/61/1072422761.db2.gz YXGRUOIUBOXHAE-ZDUSSCGKSA-N -1 3 398.485 -0.148 20 0 GBADHM Cc1ccc(C(=O)NCCC(=O)Nc2cnn(CC(=O)NCCO)c2)c([O-])c1 ZINC000273503844 1072424184 /nfs/dbraw/zinc/42/41/84/1072424184.db2.gz RIVJSSZQKZWGLJ-UHFFFAOYSA-N -1 3 389.412 -0.236 20 0 GBADHM Cc1cc(NC(=O)CN(C)C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)no1 ZINC000273545008 1072425785 /nfs/dbraw/zinc/42/57/85/1072425785.db2.gz URVLXGCAOIPLNV-UHFFFAOYSA-N -1 3 385.402 -0.037 20 0 GBADHM COC(=O)c1cc(S(=O)(=O)[N-]CCCOCCO)c(C(=O)OC)s1 ZINC000273553011 530232645 /nfs/dbraw/zinc/23/26/45/530232645.db2.gz WLWDEEIWHHIYBP-UHFFFAOYSA-N -1 3 381.428 -0.001 20 0 GBADHM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000273582160 530232734 /nfs/dbraw/zinc/23/27/34/530232734.db2.gz KKEWAZOZDIYPFS-RXMQYKEDSA-N -1 3 377.849 -0.383 20 0 GBADHM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000273582163 530232770 /nfs/dbraw/zinc/23/27/70/530232770.db2.gz KKEWAZOZDIYPFS-YFKPBYRVSA-N -1 3 377.849 -0.383 20 0 GBADHM CCNS(=O)(=O)c1ccc(CC(=O)Nc2n[n-]c(CC(=O)OC)n2)cc1 ZINC000273591577 1072427802 /nfs/dbraw/zinc/42/78/02/1072427802.db2.gz JIKZQWTVGKYXIG-UHFFFAOYSA-N -1 3 381.414 0.000 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391.515 -0.330 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000281724803 530246363 /nfs/dbraw/zinc/24/63/63/530246363.db2.gz BQYNJADAIDWNQD-QWHCGFSZSA-N -1 3 391.515 -0.330 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C[C@H](C)O)C[C@@H]1C ZINC000281724804 530246207 /nfs/dbraw/zinc/24/62/07/530246207.db2.gz BQYNJADAIDWNQD-STQMWFEESA-N -1 3 391.515 -0.330 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)NC ZINC000281731487 530246167 /nfs/dbraw/zinc/24/61/67/530246167.db2.gz JHYDBUOVWVDHDL-LLVKDONJSA-N -1 3 375.472 -0.116 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC[C@H]1C(=O)NC ZINC000281731491 530246449 /nfs/dbraw/zinc/24/64/49/530246449.db2.gz JHYDBUOVWVDHDL-NSHDSACASA-N -1 3 375.472 -0.116 20 0 GBADHM O=C1CN(CCCNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCN1 ZINC000281732434 608616775 /nfs/dbraw/zinc/61/67/75/608616775.db2.gz HUSYXOTXTMGSIZ-UHFFFAOYSA-N -1 3 399.864 -0.380 20 0 GBADHM O=C1CN(CCCNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCN1 ZINC000281732434 608616773 /nfs/dbraw/zinc/61/67/73/608616773.db2.gz HUSYXOTXTMGSIZ-UHFFFAOYSA-N -1 3 399.864 -0.380 20 0 GBADHM CCN1CCN(CC(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)C(=O)C1=O ZINC000281742256 1073446662 /nfs/dbraw/zinc/44/66/62/1073446662.db2.gz OWHLVQLHAZBIKL-UHFFFAOYSA-N -1 3 392.378 -0.406 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000281774487 530246856 /nfs/dbraw/zinc/24/68/56/530246856.db2.gz MLKHNOGZOUFXNE-NSHDSACASA-N -1 3 375.472 -0.164 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC(=O)N1CCOCC1 ZINC000281807422 530246693 /nfs/dbraw/zinc/24/66/93/530246693.db2.gz PUJMTMKFNWWLCJ-UHFFFAOYSA-N -1 3 391.471 -0.926 20 0 GBADHM O=C([N-]CC1CCN(C(=O)C2=NN(CCO)C(=O)CC2)CC1)C(F)(F)F ZINC000281813057 1073449590 /nfs/dbraw/zinc/44/95/90/1073449590.db2.gz UWCGDRSGUQIDJS-UHFFFAOYSA-N -1 3 378.351 -0.126 20 0 GBADHM CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000281830376 530246864 /nfs/dbraw/zinc/24/68/64/530246864.db2.gz RYGTVMHXJNXWRA-LLVKDONJSA-N -1 3 396.512 -0.208 20 0 GBADHM CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000281830379 530246896 /nfs/dbraw/zinc/24/68/96/530246896.db2.gz RYGTVMHXJNXWRA-NSHDSACASA-N -1 3 396.512 -0.208 20 0 GBADHM O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000281842612 530246869 /nfs/dbraw/zinc/24/68/69/530246869.db2.gz TUEBHCNDYAORLT-SSDOTTSWSA-N -1 3 377.835 -0.015 20 0 GBADHM O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000281842612 530246867 /nfs/dbraw/zinc/24/68/67/530246867.db2.gz TUEBHCNDYAORLT-SSDOTTSWSA-N -1 3 377.835 -0.015 20 0 GBADHM O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000281842613 530246768 /nfs/dbraw/zinc/24/67/68/530246768.db2.gz TUEBHCNDYAORLT-ZETCQYMHSA-N -1 3 377.835 -0.015 20 0 GBADHM O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000281842613 530246767 /nfs/dbraw/zinc/24/67/67/530246767.db2.gz TUEBHCNDYAORLT-ZETCQYMHSA-N -1 3 377.835 -0.015 20 0 GBADHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@]1(C)CCS(=O)(=O)C1 ZINC000281863193 530246668 /nfs/dbraw/zinc/24/66/68/530246668.db2.gz VOSHJUFLUZMQKT-GFCCVEGCSA-N -1 3 382.485 -0.550 20 0 GBADHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@]1(C)CCS(=O)(=O)C1 ZINC000281863197 530246853 /nfs/dbraw/zinc/24/68/53/530246853.db2.gz VOSHJUFLUZMQKT-LBPRGKRZSA-N -1 3 382.485 -0.550 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCN(C(C)=O)CC1 ZINC000281881665 530246711 /nfs/dbraw/zinc/24/67/11/530246711.db2.gz XICQHHDEIVRWNH-UHFFFAOYSA-N -1 3 375.472 -0.162 20 0 GBADHM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000281891047 530246902 /nfs/dbraw/zinc/24/69/02/530246902.db2.gz YFCOVEBZYMHEAY-UHFFFAOYSA-N -1 3 394.866 -0.262 20 0 GBADHM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000281891047 530246901 /nfs/dbraw/zinc/24/69/01/530246901.db2.gz YFCOVEBZYMHEAY-UHFFFAOYSA-N -1 3 394.866 -0.262 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(O)(COC)CC1 ZINC000281919848 530246914 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0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(O)(C(=O)OC)CC1 ZINC000281966360 530246583 /nfs/dbraw/zinc/24/65/83/530246583.db2.gz ONTGDHTUHSCFEJ-UHFFFAOYSA-N -1 3 392.455 -0.717 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000281967967 530246798 /nfs/dbraw/zinc/24/67/98/530246798.db2.gz OPRIYRUBAIPDTO-UHFFFAOYSA-N -1 3 396.512 -0.208 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@](F)(C(=O)OC)C1 ZINC000281971892 530246918 /nfs/dbraw/zinc/24/69/18/530246918.db2.gz PBVHFSRHHIMFGI-CYBMUJFWSA-N -1 3 380.419 -0.130 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@](F)(C(=O)OC)C1 ZINC000281971897 530246745 /nfs/dbraw/zinc/24/67/45/530246745.db2.gz PBVHFSRHHIMFGI-ZDUSSCGKSA-N -1 3 380.419 -0.130 20 0 GBADHM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000281986470 530246875 /nfs/dbraw/zinc/24/68/75/530246875.db2.gz QLDKIGUGZCJFQQ-JTQLQIEISA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000281986470 530246873 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QVPDUAXOLPJBTN-HQJQHLMTSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)O1 ZINC000281992050 530247433 /nfs/dbraw/zinc/24/74/33/530247433.db2.gz QVPDUAXOLPJBTN-HQJQHLMTSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)O1 ZINC000281992052 530247285 /nfs/dbraw/zinc/24/72/85/530247285.db2.gz QVPDUAXOLPJBTN-RDDDGLTNSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)O1 ZINC000281992052 530247283 /nfs/dbraw/zinc/24/72/83/530247283.db2.gz QVPDUAXOLPJBTN-RDDDGLTNSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)O1 ZINC000281992054 530247258 /nfs/dbraw/zinc/24/72/58/530247258.db2.gz QVPDUAXOLPJBTN-WRWORJQWSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)O1 ZINC000281992054 530247256 /nfs/dbraw/zinc/24/72/56/530247256.db2.gz QVPDUAXOLPJBTN-WRWORJQWSA-N -1 3 386.821 -0.169 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C)C(=O)C1(C)C ZINC000281995700 530247331 /nfs/dbraw/zinc/24/73/31/530247331.db2.gz RETOSIFUCGEVEW-UHFFFAOYSA-N -1 3 375.472 -0.164 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000281995738 530247360 /nfs/dbraw/zinc/24/73/60/530247360.db2.gz RFFOUOJKQXTBLZ-UHFFFAOYSA-N -1 3 396.512 -0.208 20 0 GBADHM O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)CCN12 ZINC000282014439 530247301 /nfs/dbraw/zinc/24/73/01/530247301.db2.gz SWVPYUFNXJYHNM-MRVPVSSYSA-N -1 3 383.821 -0.082 20 0 GBADHM O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)CCN12 ZINC000282014439 530247299 /nfs/dbraw/zinc/24/72/99/530247299.db2.gz SWVPYUFNXJYHNM-MRVPVSSYSA-N -1 3 383.821 -0.082 20 0 GBADHM O=C1NC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)CCN12 ZINC000282014441 530247147 /nfs/dbraw/zinc/24/71/47/530247147.db2.gz SWVPYUFNXJYHNM-QMMMGPOBSA-N -1 3 383.821 -0.082 20 0 GBADHM O=C1NC[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)CCN12 ZINC000282014441 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378.428 -0.364 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000299236144 530267441 /nfs/dbraw/zinc/26/74/41/530267441.db2.gz HKYFBQMNZYUQHM-NXEZZACHSA-N -1 3 389.455 -0.695 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000299236149 530267183 /nfs/dbraw/zinc/26/71/83/530267183.db2.gz HKYFBQMNZYUQHM-UWVGGRQHSA-N -1 3 389.455 -0.695 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000299236151 530267304 /nfs/dbraw/zinc/26/73/04/530267304.db2.gz HKYFBQMNZYUQHM-VHSXEESVSA-N -1 3 389.455 -0.695 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000299236153 530267409 /nfs/dbraw/zinc/26/74/09/530267409.db2.gz HKYFBQMNZYUQHM-ZJUUUORDSA-N -1 3 389.455 -0.695 20 0 GBADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000299249367 530267386 /nfs/dbraw/zinc/26/73/86/530267386.db2.gz YYAXKNGVYUMDEI-GFCCVEGCSA-N -1 3 387.483 -0.124 20 0 GBADHM O=C(C[N-]S(=O)(=O)c1cccs1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000299249369 530267327 /nfs/dbraw/zinc/26/73/27/530267327.db2.gz YYAXKNGVYUMDEI-LBPRGKRZSA-N -1 3 387.483 -0.124 20 0 GBADHM CS(=O)(=O)NC[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000299269787 530267198 /nfs/dbraw/zinc/26/71/98/530267198.db2.gz IVJLECNENNDMHE-LLVKDONJSA-N -1 3 395.528 -0.186 20 0 GBADHM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000299269789 530267229 /nfs/dbraw/zinc/26/72/29/530267229.db2.gz IVJLECNENNDMHE-NSHDSACASA-N -1 3 395.528 -0.186 20 0 GBADHM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000299324384 530267239 /nfs/dbraw/zinc/26/72/39/530267239.db2.gz CYCISGAGNZMMPY-UHFFFAOYSA-N -1 3 394.866 -0.262 20 0 GBADHM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000299324384 530267238 /nfs/dbraw/zinc/26/72/38/530267238.db2.gz CYCISGAGNZMMPY-UHFFFAOYSA-N -1 3 394.866 -0.262 20 0 GBADHM CC(C)NS(=O)(=O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000299341576 530267221 /nfs/dbraw/zinc/26/72/21/530267221.db2.gz AMTXSTZNGRWYQA-JTQLQIEISA-N -1 3 383.517 -0.141 20 0 GBADHM CC(C)NS(=O)(=O)CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000299341580 530267252 /nfs/dbraw/zinc/26/72/52/530267252.db2.gz AMTXSTZNGRWYQA-SNVBAGLBSA-N -1 3 383.517 -0.141 20 0 GBADHM CC(C)NS(=O)(=O)CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000299352937 530267306 /nfs/dbraw/zinc/26/73/06/530267306.db2.gz CSPXEBVCVGTKLP-NSHDSACASA-N -1 3 395.478 -0.064 20 0 GBADHM CC(C)NS(=O)(=O)CCNC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000299355277 530267190 /nfs/dbraw/zinc/26/71/90/530267190.db2.gz DIVJXGMJXSAGIM-UHFFFAOYSA-N -1 3 383.517 -0.140 20 0 GBADHM CC(C)NS(=O)(=O)CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000299405615 530267708 /nfs/dbraw/zinc/26/77/08/530267708.db2.gz NFJWCXHJGOEEGY-UHFFFAOYSA-N -1 3 397.251 -0.845 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC(C)C)s1 ZINC000299405664 530267785 /nfs/dbraw/zinc/26/77/85/530267785.db2.gz NMZJKSWDQZZYQK-UHFFFAOYSA-N -1 3 383.517 -0.010 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCN1CCCS1(=O)=O ZINC000299426473 530267691 /nfs/dbraw/zinc/26/76/91/530267691.db2.gz KXXWVHHYYMSMDA-NSHDSACASA-N -1 3 393.462 -0.356 20 0 GBADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCN2CCCS2(=O)=O)s1 ZINC000299428666 530267600 /nfs/dbraw/zinc/26/76/00/530267600.db2.gz KCIMPMAQFBGCTL-UHFFFAOYSA-N -1 3 396.516 -0.509 20 0 GBADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCS(=O)(=O)NC(C)C)s1 ZINC000299448846 530267874 /nfs/dbraw/zinc/26/78/74/530267874.db2.gz SSUDLFMKRBMPIS-UHFFFAOYSA-N -1 3 398.532 -0.217 20 0 GBADHM CCS(=O)(=O)NCCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000299459711 530267913 /nfs/dbraw/zinc/26/79/13/530267913.db2.gz UFMZBXCNRVYOQB-NSHDSACASA-N -1 3 395.478 -0.062 20 0 GBADHM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000299463396 530267609 /nfs/dbraw/zinc/26/76/09/530267609.db2.gz GWIGJEPFGKRJKA-UHFFFAOYSA-N -1 3 383.517 -0.008 20 0 GBADHM COC(=O)c1csc(S(=O)(=O)[N-]CCC(=O)N2CCN(C)CC2)c1 ZINC000299476506 530267757 /nfs/dbraw/zinc/26/77/57/530267757.db2.gz AGOXKKPZYKOQCP-UHFFFAOYSA-N -1 3 375.472 -0.023 20 0 GBADHM CN(C)C(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000299536401 530267751 /nfs/dbraw/zinc/26/77/51/530267751.db2.gz DCJARJJNUZUCFI-UHFFFAOYSA-N -1 3 384.277 -0.007 20 0 GBADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCNC(=O)C1 ZINC000299619850 530268307 /nfs/dbraw/zinc/26/83/07/530268307.db2.gz QLXKQNOGQXHIDA-UHFFFAOYSA-N -1 3 382.261 -0.253 20 0 GBADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000299624773 530268150 /nfs/dbraw/zinc/26/81/50/530268150.db2.gz IKBCMAZXZDHMGX-KBPBESRZSA-N -1 3 392.474 -0.090 20 0 GBADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC000299624775 530268363 /nfs/dbraw/zinc/26/83/63/530268363.db2.gz IKBCMAZXZDHMGX-KGLIPLIRSA-N -1 3 392.474 -0.090 20 0 GBADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000299624777 530268053 /nfs/dbraw/zinc/26/80/53/530268053.db2.gz IKBCMAZXZDHMGX-UONOGXRCSA-N -1 3 392.474 -0.090 20 0 GBADHM Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC000299624779 530268287 /nfs/dbraw/zinc/26/82/87/530268287.db2.gz IKBCMAZXZDHMGX-ZIAGYGMSSA-N -1 3 392.474 -0.090 20 0 GBADHM CCOC(=O)CN(CC(N)=O)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000299632688 530268022 /nfs/dbraw/zinc/26/80/22/530268022.db2.gz HCQCEAGOYRSLTO-UHFFFAOYSA-N -1 3 375.378 -0.312 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CCNS(=O)(=O)c2cn(C)c(C)n2)cn1C ZINC000299635200 530268226 /nfs/dbraw/zinc/26/82/26/530268226.db2.gz JTVUVKCKBIXBSP-UHFFFAOYSA-N -1 3 376.464 -0.973 20 0 GBADHM CNC(=O)CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000299648668 530268375 /nfs/dbraw/zinc/26/83/75/530268375.db2.gz VTXMPXMPEVUHEX-UHFFFAOYSA-N -1 3 384.277 -0.007 20 0 GBADHM CS(=O)(=O)[N-]c1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)ccc1F ZINC000299656097 530119697 /nfs/dbraw/zinc/11/96/97/530119697.db2.gz PQFOEBHCUXWOAG-UHFFFAOYSA-N -1 3 379.435 -0.085 20 0 GBADHM O=S(=O)([N-][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(F)cc(F)c1 ZINC000299656227 530268207 /nfs/dbraw/zinc/26/82/07/530268207.db2.gz MWHCIDQABQJWRJ-KBPBESRZSA-N -1 3 396.437 -0.259 20 0 GBADHM O=S(=O)([N-][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cc(F)cc(F)c1 ZINC000299656228 530268105 /nfs/dbraw/zinc/26/81/05/530268105.db2.gz MWHCIDQABQJWRJ-KGLIPLIRSA-N -1 3 396.437 -0.259 20 0 GBADHM O=S(=O)([N-][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc(F)cc(F)c1 ZINC000299656229 530268212 /nfs/dbraw/zinc/26/82/12/530268212.db2.gz MWHCIDQABQJWRJ-UONOGXRCSA-N -1 3 396.437 -0.259 20 0 GBADHM O=S(=O)([N-][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cc(F)cc(F)c1 ZINC000299656231 530268366 /nfs/dbraw/zinc/26/83/66/530268366.db2.gz MWHCIDQABQJWRJ-ZIAGYGMSSA-N -1 3 396.437 -0.259 20 0 GBADHM CS(=O)(=O)[N-]c1cc(C(=O)NCCN2CCCS2(=O)=O)ccc1F ZINC000299659979 530268195 /nfs/dbraw/zinc/26/81/95/530268195.db2.gz QIMPHSIFKAPLBN-UHFFFAOYSA-N -1 3 379.435 -0.038 20 0 GBADHM O=S(=O)([N-][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(F)cc1F ZINC000299683726 530268237 /nfs/dbraw/zinc/26/82/37/530268237.db2.gz RWVDJHGLSBDAKA-CHWSQXEVSA-N -1 3 396.437 -0.259 20 0 GBADHM O=S(=O)([N-][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(F)cc1F ZINC000299683729 530268034 /nfs/dbraw/zinc/26/80/34/530268034.db2.gz RWVDJHGLSBDAKA-OLZOCXBDSA-N -1 3 396.437 -0.259 20 0 GBADHM O=S(=O)([N-][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(F)cc1F ZINC000299683732 530268278 /nfs/dbraw/zinc/26/82/78/530268278.db2.gz RWVDJHGLSBDAKA-QWHCGFSZSA-N -1 3 396.437 -0.259 20 0 GBADHM O=S(=O)([N-][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(F)cc1F ZINC000299683737 530268303 /nfs/dbraw/zinc/26/83/03/530268303.db2.gz RWVDJHGLSBDAKA-STQMWFEESA-N -1 3 396.437 -0.259 20 0 GBADHM O=S(=O)(Cc1ccc(F)cc1)[N-][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000299699930 530268221 /nfs/dbraw/zinc/26/82/21/530268221.db2.gz XISSAFUOLYFSPX-CABCVRRESA-N -1 3 392.474 -0.257 20 0 GBADHM O=S(=O)(Cc1ccc(F)cc1)[N-][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000299699933 530268341 /nfs/dbraw/zinc/26/83/41/530268341.db2.gz XISSAFUOLYFSPX-GJZGRUSLSA-N -1 3 392.474 -0.257 20 0 GBADHM O=S(=O)(Cc1ccc(F)cc1)[N-][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000299699936 530268072 /nfs/dbraw/zinc/26/80/72/530268072.db2.gz XISSAFUOLYFSPX-HUUCEWRRSA-N -1 3 392.474 -0.257 20 0 GBADHM O=S(=O)(Cc1ccc(F)cc1)[N-][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000299699939 530268079 /nfs/dbraw/zinc/26/80/79/530268079.db2.gz XISSAFUOLYFSPX-LSDHHAIUSA-N -1 3 392.474 -0.257 20 0 GBADHM O=S(=O)([N-][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(F)c(F)c1 ZINC000299705301 530268044 /nfs/dbraw/zinc/26/80/44/530268044.db2.gz ZJWMNGHJXPZBNO-KBPBESRZSA-N -1 3 396.437 -0.259 20 0 GBADHM O=S(=O)([N-][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(F)c(F)c1 ZINC000299705303 530268115 /nfs/dbraw/zinc/26/81/15/530268115.db2.gz ZJWMNGHJXPZBNO-KGLIPLIRSA-N -1 3 396.437 -0.259 20 0 GBADHM O=S(=O)([N-][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(F)c(F)c1 ZINC000299705304 530268234 /nfs/dbraw/zinc/26/82/34/530268234.db2.gz ZJWMNGHJXPZBNO-UONOGXRCSA-N -1 3 396.437 -0.259 20 0 GBADHM O=S(=O)([N-][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(F)c(F)c1 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LRPDENHDZBEKAB-JTQLQIEISA-N -1 3 378.476 -0.958 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CC[C@@H](C)S(=O)(=O)CC2)cn1C ZINC000330275571 530292613 /nfs/dbraw/zinc/29/26/13/530292613.db2.gz LRPDENHDZBEKAB-SNVBAGLBSA-N -1 3 378.476 -0.958 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@H](C)S(=O)(=O)CC2)cn1C ZINC000330280459 530292529 /nfs/dbraw/zinc/29/25/29/530292529.db2.gz SLQKHECXMUHHJP-LLVKDONJSA-N -1 3 392.503 -0.567 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@H](C)S(=O)(=O)CC2)cn1C ZINC000330280460 530292747 /nfs/dbraw/zinc/29/27/47/530292747.db2.gz SLQKHECXMUHHJP-NSHDSACASA-N -1 3 392.503 -0.567 20 0 GBADHM C[C@@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCS1(=O)=O ZINC000330280693 530292603 /nfs/dbraw/zinc/29/26/03/530292603.db2.gz SUSBJXDZGMNUMR-MRVPVSSYSA-N -1 3 394.247 -0.253 20 0 GBADHM C[C@H]1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCS1(=O)=O ZINC000330280694 530292739 /nfs/dbraw/zinc/29/27/39/530292739.db2.gz SUSBJXDZGMNUMR-QMMMGPOBSA-N -1 3 394.247 -0.253 20 0 GBADHM C[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCS(=O)(=O)C1 ZINC000330318086 530293510 /nfs/dbraw/zinc/29/35/10/530293510.db2.gz CCCISGYXHIMLHP-MRVPVSSYSA-N -1 3 394.247 -0.396 20 0 GBADHM C[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCS(=O)(=O)C1 ZINC000330318087 530293474 /nfs/dbraw/zinc/29/34/74/530293474.db2.gz CCCISGYXHIMLHP-QMMMGPOBSA-N -1 3 394.247 -0.396 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[S@](=O)C[C@H](C)C2)cn1C ZINC000330332545 530293806 /nfs/dbraw/zinc/29/38/06/530293806.db2.gz PBAAZXBCRDYTQC-BGJPBQGDSA-N -1 3 376.504 -0.376 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[S@@](=O)C[C@@H](C)C2)cn1C ZINC000330332547 530293822 /nfs/dbraw/zinc/29/38/22/530293822.db2.gz PBAAZXBCRDYTQC-BSNNYGBQSA-N -1 3 376.504 -0.376 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[S@@](=O)C[C@H](C)C2)cn1C ZINC000330332548 530293838 /nfs/dbraw/zinc/29/38/38/530293838.db2.gz PBAAZXBCRDYTQC-QVQLBTGDSA-N -1 3 376.504 -0.376 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[S@](=O)C[C@@H](C)C2)cn1C ZINC000330332549 530293880 /nfs/dbraw/zinc/29/38/80/530293880.db2.gz PBAAZXBCRDYTQC-RULNZOCKSA-N -1 3 376.504 -0.376 20 0 GBADHM COCC(=O)N1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000330388542 530273999 /nfs/dbraw/zinc/27/39/99/530273999.db2.gz DBUSPKOHNCKFNI-UHFFFAOYSA-N -1 3 395.890 -0.003 20 0 GBADHM CS(=O)(=O)[N-]c1cc(NC(=O)CN2CCS(=O)(=O)CC2)ccc1F ZINC000330394778 530273756 /nfs/dbraw/zinc/27/37/56/530273756.db2.gz MHDNWZNJEAJSDX-UHFFFAOYSA-N -1 3 379.435 -0.134 20 0 GBADHM Cc1nc(C)c(CCC(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)c(=O)[n-]1 ZINC000330403155 1073146264 /nfs/dbraw/zinc/14/62/64/1073146264.db2.gz LMUSJKHTQQUWPK-UHFFFAOYSA-N -1 3 377.445 -0.073 20 0 GBADHM CC[C@H](CO)N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000330485991 1073147913 /nfs/dbraw/zinc/14/79/13/1073147913.db2.gz CVEQWYRYLREBEV-GXTWGEPZSA-N -1 3 388.490 -0.127 20 0 GBADHM CC[C@@H](CO)N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000330485995 1073147846 /nfs/dbraw/zinc/14/78/46/1073147846.db2.gz CVEQWYRYLREBEV-JSGCOSHPSA-N -1 3 388.490 -0.127 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cn1C ZINC000330486390 530274309 /nfs/dbraw/zinc/27/43/09/530274309.db2.gz DUHCDWOWIZYKEP-BXKDBHETSA-N -1 3 384.380 -0.079 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)cn1C ZINC000330486391 530274450 /nfs/dbraw/zinc/27/44/50/530274450.db2.gz DUHCDWOWIZYKEP-CABZTGNLSA-N -1 3 384.380 -0.079 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)cn1C ZINC000330486392 530274463 /nfs/dbraw/zinc/27/44/63/530274463.db2.gz DUHCDWOWIZYKEP-JOYOIKCWSA-N -1 3 384.380 -0.079 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)cn1C ZINC000330486393 530274510 /nfs/dbraw/zinc/27/45/10/530274510.db2.gz DUHCDWOWIZYKEP-SKDRFNHKSA-N -1 3 384.380 -0.079 20 0 GBADHM COC(=O)C1(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)CCSCC1 ZINC000330488947 530274290 /nfs/dbraw/zinc/27/42/90/530274290.db2.gz AEQRIUIWXNLELX-UHFFFAOYSA-N -1 3 390.487 -0.438 20 0 GBADHM COC(=O)[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCO1 ZINC000330515059 530274798 /nfs/dbraw/zinc/27/47/98/530274798.db2.gz DRTYTFQZFYXIBZ-MRVPVSSYSA-N -1 3 376.163 -0.888 20 0 GBADHM COC(=O)[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCO1 ZINC000330515060 530274769 /nfs/dbraw/zinc/27/47/69/530274769.db2.gz DRTYTFQZFYXIBZ-QMMMGPOBSA-N -1 3 376.163 -0.888 20 0 GBADHM CO[C@H]1C[C@@H](CO)N(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000330525445 530274908 /nfs/dbraw/zinc/27/49/08/530274908.db2.gz VJDBRQZIEADVSS-UWVGGRQHSA-N -1 3 382.435 -0.033 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)c(C)o1 ZINC000330527833 530274835 /nfs/dbraw/zinc/27/48/35/530274835.db2.gz QEYFLQGZZLNHDT-GFCCVEGCSA-N -1 3 375.447 -0.739 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)c(C)o1 ZINC000330527834 530274877 /nfs/dbraw/zinc/27/48/77/530274877.db2.gz QEYFLQGZZLNHDT-LBPRGKRZSA-N -1 3 375.447 -0.739 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000330545251 530275322 /nfs/dbraw/zinc/27/53/22/530275322.db2.gz BSKCNXIIVUGBAP-SECBINFHSA-N -1 3 395.890 -0.269 20 0 GBADHM C[C@H](O)C(=O)N1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000330545252 530275208 /nfs/dbraw/zinc/27/52/08/530275208.db2.gz BSKCNXIIVUGBAP-VIFPVBQESA-N -1 3 395.890 -0.269 20 0 GBADHM CNS(=O)(=O)CC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000330555333 530274742 /nfs/dbraw/zinc/27/47/42/530274742.db2.gz GNEHVBBGHHQUTE-UHFFFAOYSA-N -1 3 381.501 -0.433 20 0 GBADHM COC[C@@H]1C[C@@H](OC)CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000330557251 530274872 /nfs/dbraw/zinc/27/48/72/530274872.db2.gz WHSCDAWKZKBUQH-DTWKUNHWSA-N -1 3 376.207 -0.026 20 0 GBADHM COC(=O)C[C@@H]1CSCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000330557966 530274862 /nfs/dbraw/zinc/27/48/62/530274862.db2.gz WUMAGZBXJLZYRK-LLVKDONJSA-N -1 3 390.487 -0.486 20 0 GBADHM COC(=O)C[C@H]1CSCCN1C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000330557974 530274888 /nfs/dbraw/zinc/27/48/88/530274888.db2.gz WUMAGZBXJLZYRK-NSHDSACASA-N -1 3 390.487 -0.486 20 0 GBADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@]2(O)CCCN(C(C)=O)C2)s1 ZINC000330563931 530275198 /nfs/dbraw/zinc/27/51/98/530275198.db2.gz KBZQXNHTPNUDOI-AWEZNQCLSA-N -1 3 375.472 -0.354 20 0 GBADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)[C@@]2(O)CCCN(C(C)=O)C2)s1 ZINC000330563932 530275231 /nfs/dbraw/zinc/27/52/31/530275231.db2.gz KBZQXNHTPNUDOI-CQSZACIVSA-N -1 3 375.472 -0.354 20 0 GBADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)s1 ZINC000330592248 530275133 /nfs/dbraw/zinc/27/51/33/530275133.db2.gz ZSFMEQGJKGVIKF-UHFFFAOYSA-N -1 3 381.501 -0.997 20 0 GBADHM CN1CCN(CCNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000330601678 530275331 /nfs/dbraw/zinc/27/53/31/530275331.db2.gz GOYICPDZJNDWGY-UHFFFAOYSA-N -1 3 394.494 -0.277 20 0 GBADHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000330613491 530275175 /nfs/dbraw/zinc/27/51/75/530275175.db2.gz YVPNEZWGOFYSCO-LLVKDONJSA-N -1 3 396.512 -0.208 20 0 GBADHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000330613492 530275277 /nfs/dbraw/zinc/27/52/77/530275277.db2.gz YVPNEZWGOFYSCO-NSHDSACASA-N -1 3 396.512 -0.208 20 0 GBADHM C[C@@H]1COCCN1CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000330619948 530275779 /nfs/dbraw/zinc/27/57/79/530275779.db2.gz IZOVLUVECZWEBN-SECBINFHSA-N -1 3 375.223 -0.452 20 0 GBADHM C[C@H]1COCCN1CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000330619949 530275667 /nfs/dbraw/zinc/27/56/67/530275667.db2.gz IZOVLUVECZWEBN-VIFPVBQESA-N -1 3 375.223 -0.452 20 0 GBADHM CC(=O)N1CCN(CC[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)CC1 ZINC000330627712 530276039 /nfs/dbraw/zinc/27/60/39/530276039.db2.gz XPLRXNIKHHZCNV-UHFFFAOYSA-N -1 3 389.499 -0.468 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000330656142 1073151150 /nfs/dbraw/zinc/15/11/50/1073151150.db2.gz OOXGGTMLQZWKIR-LBPRGKRZSA-N -1 3 388.490 -0.127 20 0 GBADHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2CC(=O)N(C)C2)s1 ZINC000330660890 530275790 /nfs/dbraw/zinc/27/57/90/530275790.db2.gz SFGQAYSNVKUSGB-JTQLQIEISA-N -1 3 395.528 -0.261 20 0 GBADHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C)C2)s1 ZINC000330660891 530275494 /nfs/dbraw/zinc/27/54/94/530275494.db2.gz SFGQAYSNVKUSGB-SNVBAGLBSA-N -1 3 395.528 -0.261 20 0 GBADHM CCNC(=O)CN1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000330662287 530275584 /nfs/dbraw/zinc/27/55/84/530275584.db2.gz SGWCELHLCKTFPQ-GFCCVEGCSA-N -1 3 388.515 -0.305 20 0 GBADHM CCNC(=O)CN1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000330662288 530275628 /nfs/dbraw/zinc/27/56/28/530275628.db2.gz SGWCELHLCKTFPQ-LBPRGKRZSA-N -1 3 388.515 -0.305 20 0 GBADHM CC[C@@H](O)CN1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000330664281 1073151573 /nfs/dbraw/zinc/15/15/73/1073151573.db2.gz VTOLOTCUPLUSLR-GXTWGEPZSA-N -1 3 388.490 -0.127 20 0 GBADHM CC[C@H](O)CN1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000330664282 1073151487 /nfs/dbraw/zinc/15/14/87/1073151487.db2.gz VTOLOTCUPLUSLR-JSGCOSHPSA-N -1 3 388.490 -0.127 20 0 GBADHM CN(C)C(=O)CN1CCC(NC(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000330670319 530275526 /nfs/dbraw/zinc/27/55/26/530275526.db2.gz BVOQROXJRKUBDX-UHFFFAOYSA-N -1 3 388.515 -0.305 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000330683065 1073152178 /nfs/dbraw/zinc/15/21/78/1073152178.db2.gz IIGYPMDKKPQNAN-GVXVVHGQSA-N -1 3 388.490 -0.128 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000330683066 1073152282 /nfs/dbraw/zinc/15/22/82/1073152282.db2.gz IIGYPMDKKPQNAN-LOWVWBTDSA-N -1 3 388.490 -0.128 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000330683067 1073152351 /nfs/dbraw/zinc/15/23/51/1073152351.db2.gz IIGYPMDKKPQNAN-MDZLAQPJSA-N -1 3 388.490 -0.128 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000330683068 1073152330 /nfs/dbraw/zinc/15/23/30/1073152330.db2.gz IIGYPMDKKPQNAN-WZRBSPASSA-N -1 3 388.490 -0.128 20 0 GBADHM CN(C1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1)S(C)(=O)=O ZINC000330733120 530276559 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20 0 GBADHM O=C1NCCCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cccnc1 ZINC000349610975 530342822 /nfs/dbraw/zinc/34/28/22/530342822.db2.gz DYGKBEMDBVUBEJ-ZDUSSCGKSA-N -1 3 390.487 -0.199 20 0 GBADHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@@H]2COCCO2)cn1 ZINC000349611372 530097839 /nfs/dbraw/zinc/09/78/39/530097839.db2.gz GBEXLHRYUJJWPF-CYBMUJFWSA-N -1 3 394.475 -0.748 20 0 GBADHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)NC[C@H]2COCCO2)cn1 ZINC000349611373 530097814 /nfs/dbraw/zinc/09/78/14/530097814.db2.gz GBEXLHRYUJJWPF-ZDUSSCGKSA-N -1 3 394.475 -0.748 20 0 GBADHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000349611399 530097703 /nfs/dbraw/zinc/09/77/03/530097703.db2.gz GILWGSRAKOPFIX-LLVKDONJSA-N -1 3 393.491 -0.692 20 0 GBADHM Cc1n[nH]c(C)c1[N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]1CC(=O)N(C)C1 ZINC000349611400 530097827 /nfs/dbraw/zinc/09/78/27/530097827.db2.gz GILWGSRAKOPFIX-NSHDSACASA-N -1 3 393.491 -0.692 20 0 GBADHM CC(C)N1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1=O ZINC000349611485 530097937 /nfs/dbraw/zinc/09/79/37/530097937.db2.gz GSKMZQCSIGXVJL-GFCCVEGCSA-N -1 3 393.491 -0.530 20 0 GBADHM CC(C)N1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)C1=O ZINC000349611486 530097720 /nfs/dbraw/zinc/09/77/20/530097720.db2.gz GSKMZQCSIGXVJL-LBPRGKRZSA-N -1 3 393.491 -0.530 20 0 GBADHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)NCC2(C)COC2)cn1 ZINC000349611487 530097728 /nfs/dbraw/zinc/09/77/28/530097728.db2.gz GSKYRYFQIAQBGD-UHFFFAOYSA-N -1 3 378.476 -0.127 20 0 GBADHM O=C1NCCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349611838 530372139 /nfs/dbraw/zinc/37/21/39/530372139.db2.gz HXWVGPSUZHWUJD-LLVKDONJSA-N -1 3 379.464 -0.870 20 0 GBADHM O=C1NCCCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349611839 530371897 /nfs/dbraw/zinc/37/18/97/530371897.db2.gz HXWVGPSUZHWUJD-NSHDSACASA-N -1 3 379.464 -0.870 20 0 GBADHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)NCc2cncn2C)cn1 ZINC000349611857 530097911 /nfs/dbraw/zinc/09/79/11/530097911.db2.gz IASVZVHUHXQXDG-UHFFFAOYSA-N -1 3 388.475 -0.230 20 0 GBADHM Cc1ncc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(=O)N(C)C2)cn1 ZINC000349612119 530343093 /nfs/dbraw/zinc/34/30/93/530343093.db2.gz TYLCXPWAHZUCBL-UHFFFAOYSA-N -1 3 391.475 -0.632 20 0 GBADHM O=C1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cn[nH]c2)CN1C1CC1 ZINC000349612135 530097787 /nfs/dbraw/zinc/09/77/87/530097787.db2.gz UAAYGOFFCCLGLN-UHFFFAOYSA-N -1 3 391.475 -0.475 20 0 GBADHM CCN1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]nc2C)CC1=O ZINC000349612207 530372052 /nfs/dbraw/zinc/37/20/52/530372052.db2.gz URTWGZVCFDOVFZ-UHFFFAOYSA-N -1 3 393.491 -0.309 20 0 GBADHM Cc1ncc([N-]S(=O)(=O)CCCS(=O)(=O)NCc2cnn(C)c2)cn1 ZINC000349613192 530097874 /nfs/dbraw/zinc/09/78/74/530097874.db2.gz JXONMBCLAQHQEM-UHFFFAOYSA-N -1 3 388.475 -0.230 20 0 GBADHM CCN1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]nc2C)CC1=O ZINC000349614262 530097836 /nfs/dbraw/zinc/09/78/36/530097836.db2.gz LQZRXGTTYBMBOO-LLVKDONJSA-N -1 3 393.491 -0.610 20 0 GBADHM CCN1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]nc2C)CC1=O ZINC000349614265 530097884 /nfs/dbraw/zinc/09/78/84/530097884.db2.gz LQZRXGTTYBMBOO-NSHDSACASA-N -1 3 393.491 -0.610 20 0 GBADHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N1CC(=O)N(C)C1 ZINC000349614568 530097842 /nfs/dbraw/zinc/09/78/42/530097842.db2.gz XXAGCSBQXKWZIV-UHFFFAOYSA-N -1 3 379.464 -0.699 20 0 GBADHM CN1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cncc(F)c2)CC1=O ZINC000349615177 530098089 /nfs/dbraw/zinc/09/80/89/530098089.db2.gz MUWZMKIWXJODBM-GFCCVEGCSA-N -1 3 394.450 -0.497 20 0 GBADHM CN1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2cncc(F)c2)CC1=O ZINC000349615178 530098214 /nfs/dbraw/zinc/09/82/14/530098214.db2.gz MUWZMKIWXJODBM-LBPRGKRZSA-N -1 3 394.450 -0.497 20 0 GBADHM C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1)c1ccn(C)n1 ZINC000349615548 530098112 /nfs/dbraw/zinc/09/81/12/530098112.db2.gz MWVRFAMGIUGXHA-JTQLQIEISA-N -1 3 376.464 -0.044 20 0 GBADHM C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c1cn[nH]c1)c1ccn(C)n1 ZINC000349615559 530098217 /nfs/dbraw/zinc/09/82/17/530098217.db2.gz MWVRFAMGIUGXHA-SNVBAGLBSA-N -1 3 376.464 -0.044 20 0 GBADHM NC(=O)C1CCC(NS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)CC1 ZINC000349615785 530343159 /nfs/dbraw/zinc/34/31/59/530343159.db2.gz NEYDYKKYXYRXGV-UHFFFAOYSA-N -1 3 393.491 -0.495 20 0 GBADHM Cc1cc(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)n(C)n1 ZINC000349615817 530098135 /nfs/dbraw/zinc/09/81/35/530098135.db2.gz NLHULMZFARLWBU-UHFFFAOYSA-N -1 3 376.464 -0.297 20 0 GBADHM CCN1CCN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2cn[nH]c2)CC1=O ZINC000349615896 530098146 /nfs/dbraw/zinc/09/81/46/530098146.db2.gz LPHVILQDQQFTAH-UHFFFAOYSA-N -1 3 393.491 -0.575 20 0 GBADHM CN1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2F)CC1=O ZINC000349616439 530343104 /nfs/dbraw/zinc/34/31/04/530343104.db2.gz OCCYFGDRNOGIEB-JTQLQIEISA-N -1 3 394.450 -0.497 20 0 GBADHM CN1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2ncccc2F)CC1=O ZINC000349616440 530343162 /nfs/dbraw/zinc/34/31/62/530343162.db2.gz OCCYFGDRNOGIEB-SNVBAGLBSA-N -1 3 394.450 -0.497 20 0 GBADHM O=C1NCCCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccnnc1 ZINC000349616952 530098195 /nfs/dbraw/zinc/09/81/95/530098195.db2.gz OICQMRYOJRFTFJ-GFCCVEGCSA-N -1 3 391.475 -0.804 20 0 GBADHM O=C1NCCCC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1ccnnc1 ZINC000349616953 530098226 /nfs/dbraw/zinc/09/82/26/530098226.db2.gz OICQMRYOJRFTFJ-LBPRGKRZSA-N -1 3 391.475 -0.804 20 0 GBADHM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1COCCO1)[N-]c1cccnc1 ZINC000349616956 530098098 /nfs/dbraw/zinc/09/80/98/530098098.db2.gz OKMBFBGWFBWGEG-CYBMUJFWSA-N -1 3 379.460 -0.452 20 0 GBADHM O=S(=O)(CCCS(=O)(=O)NC[C@H]1COCCO1)[N-]c1cccnc1 ZINC000349616958 530098185 /nfs/dbraw/zinc/09/81/85/530098185.db2.gz OKMBFBGWFBWGEG-ZDUSSCGKSA-N -1 3 379.460 -0.452 20 0 GBADHM CN([C@@H]1COC[C@H]1O)S(=O)(=O)CCCCS(=O)(=O)[N-]c1ccnnc1 ZINC000349617035 530098191 /nfs/dbraw/zinc/09/81/91/530098191.db2.gz MOMBOYSCTSCHNL-CHWSQXEVSA-N -1 3 394.475 -0.980 20 0 GBADHM Cc1c(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2cn[nH]c2)cnn1C ZINC000349617525 530098176 /nfs/dbraw/zinc/09/81/76/530098176.db2.gz PACSYWFNITWSFE-UHFFFAOYSA-N -1 3 376.464 -0.297 20 0 GBADHM CN([C@@H]1CCN(C)C1=O)S(=O)(=O)CCCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349617714 530372023 /nfs/dbraw/zinc/37/20/23/530372023.db2.gz MYHCWULHKWOICL-GFCCVEGCSA-N -1 3 393.491 -0.576 20 0 GBADHM CN([C@H]1CCN(C)C1=O)S(=O)(=O)CCCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349617715 530371909 /nfs/dbraw/zinc/37/19/09/530371909.db2.gz MYHCWULHKWOICL-LBPRGKRZSA-N -1 3 393.491 -0.576 20 0 GBADHM Cc1n[nH]cc1[N-]S(=O)(=O)CCCCS(=O)(=O)N(C)[C@@H]1COC[C@H]1O ZINC000349617728 530098251 /nfs/dbraw/zinc/09/82/51/530098251.db2.gz NBNLMRBRCIYSOO-CHWSQXEVSA-N -1 3 396.491 -0.739 20 0 GBADHM C[C@@H]1CN(C)C(=O)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349617734 637497455 /nfs/dbraw/zinc/49/74/55/637497455.db2.gz NDEDVBWIWINMIB-LLVKDONJSA-N -1 3 393.491 -0.576 20 0 GBADHM C[C@H]1CN(C)C(=O)CN1S(=O)(=O)CCCCS(=O)(=O)[N-]c1cn[nH]c1 ZINC000349617735 637496956 /nfs/dbraw/zinc/49/69/56/637496956.db2.gz NDEDVBWIWINMIB-NSHDSACASA-N -1 3 393.491 -0.576 20 0 GBADHM C[C@]1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ccnnc2)CCOC1 ZINC000349617773 530098229 /nfs/dbraw/zinc/09/82/29/530098229.db2.gz PUJJUOCQYGXNEB-CYBMUJFWSA-N -1 3 378.476 -0.046 20 0 GBADHM C[C@@]1(CNS(=O)(=O)CCCS(=O)(=O)[N-]c2ccnnc2)CCOC1 ZINC000349618045 530098259 /nfs/dbraw/zinc/09/82/59/530098259.db2.gz PUJJUOCQYGXNEB-ZDUSSCGKSA-N -1 3 378.476 -0.046 20 0 GBADHM O=S(=O)(CCCCS(=O)(=O)N1C[C@@H](O)C2(CC2)C1)[N-]c1cn[nH]c1 ZINC000349618485 530343137 /nfs/dbraw/zinc/34/31/37/530343137.db2.gz NNLBMHXFVLZYBY-GFCCVEGCSA-N -1 3 378.476 -0.282 20 0 GBADHM O=S(=O)(CCCCS(=O)(=O)N1C[C@H](O)C2(CC2)C1)[N-]c1cn[nH]c1 ZINC000349618486 530343034 /nfs/dbraw/zinc/34/30/34/530343034.db2.gz NNLBMHXFVLZYBY-LBPRGKRZSA-N -1 3 378.476 -0.282 20 0 GBADHM CCn1cc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC(C)(O)C2)cn1 ZINC000349619046 530098437 /nfs/dbraw/zinc/09/84/37/530098437.db2.gz OWXXVRXDKXVLIM-UHFFFAOYSA-N -1 3 380.492 -0.179 20 0 GBADHM 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COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000372676624 530315557 /nfs/dbraw/zinc/31/55/57/530315557.db2.gz QZXRMYMDEUNNRB-MRVPVSSYSA-N -1 3 375.428 -0.247 20 0 GBADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000372676625 530315475 /nfs/dbraw/zinc/31/54/75/530315475.db2.gz QZXRMYMDEUNNRB-QMMMGPOBSA-N -1 3 375.428 -0.247 20 0 GBADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCN2C(=O)NC[C@@H]2C1 ZINC000372686081 530315663 /nfs/dbraw/zinc/31/56/63/530315663.db2.gz VQPFUXUJRHYWRB-MRVPVSSYSA-N -1 3 378.863 -0.084 20 0 GBADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCN2C(=O)NC[C@H]2C1 ZINC000372686084 530315631 /nfs/dbraw/zinc/31/56/31/530315631.db2.gz VQPFUXUJRHYWRB-QMMMGPOBSA-N -1 3 378.863 -0.084 20 0 GBADHM Cn1cnn(CC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1=O ZINC000372975779 530316491 /nfs/dbraw/zinc/31/64/91/530316491.db2.gz IQXIZHPOKKSAFC-UHFFFAOYSA-N -1 3 385.471 -0.387 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H]1CN(c2ccc(F)cc2)C1=O ZINC000373421432 530317266 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377.463 -0.193 20 0 GBADHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1=O ZINC000374119963 530318490 /nfs/dbraw/zinc/31/84/90/530318490.db2.gz MSFDOFDQTJHIPR-KHQFGBGNSA-N -1 3 385.218 -0.163 20 0 GBADHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1=O ZINC000374119965 530318437 /nfs/dbraw/zinc/31/84/37/530318437.db2.gz MSFDOFDQTJHIPR-MRTMQBJTSA-N -1 3 385.218 -0.163 20 0 GBADHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1=O ZINC000374119966 530318572 /nfs/dbraw/zinc/31/85/72/530318572.db2.gz MSFDOFDQTJHIPR-NQMVMOMDSA-N -1 3 385.218 -0.163 20 0 GBADHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1=O ZINC000374119967 530318504 /nfs/dbraw/zinc/31/85/04/530318504.db2.gz MSFDOFDQTJHIPR-WEDXCCLWSA-N -1 3 385.218 -0.163 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC[C@H]1C(=O)OC ZINC000374237241 530318412 /nfs/dbraw/zinc/31/84/12/530318412.db2.gz KPDPBGDDOZKOJW-JTQLQIEISA-N -1 3 378.428 -0.843 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)OC ZINC000374237242 530318704 /nfs/dbraw/zinc/31/87/04/530318704.db2.gz KPDPBGDDOZKOJW-SNVBAGLBSA-N -1 3 378.428 -0.843 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1C[C@H](O)C[C@@H]1CO ZINC000374238965 530318677 /nfs/dbraw/zinc/31/86/77/530318677.db2.gz FLVFFJOFHBFDCB-GHMZBOCLSA-N -1 3 379.385 -0.620 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1C[C@@H](O)C[C@@H]1CO ZINC000374238970 530318563 /nfs/dbraw/zinc/31/85/63/530318563.db2.gz FLVFFJOFHBFDCB-MNOVXSKESA-N -1 3 379.385 -0.620 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N1C[C@H](O)C[C@H]1CO ZINC000374238972 530318534 /nfs/dbraw/zinc/31/85/34/530318534.db2.gz FLVFFJOFHBFDCB-WDEREUQCSA-N -1 3 379.385 -0.620 20 0 GBADHM O=S(=O)([N-]CCNS(=O)(=O)c1cccnc1)c1cn2c(n1)CCCC2 ZINC000374802044 530319871 /nfs/dbraw/zinc/31/98/71/530319871.db2.gz ULOTVUGJBIWSRR-UHFFFAOYSA-N -1 3 385.471 -0.129 20 0 GBADHM NC(=O)[N-]C(=O)OCCCN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000374845615 530320143 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Cn1cc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)C2)cn1 ZINC000375653467 530320915 /nfs/dbraw/zinc/32/09/15/530320915.db2.gz FQAFWYLCNRXTHF-NSHDSACASA-N -1 3 385.471 -0.224 20 0 GBADHM CCOC(=O)CCS(=O)(=O)[N-]C1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 ZINC000376344040 530322249 /nfs/dbraw/zinc/32/22/49/530322249.db2.gz NJJFUEIVEXTXAF-UHFFFAOYSA-N -1 3 379.435 -0.666 20 0 GBADHM CC(=O)OCCCS(=O)(=O)[N-]C1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 ZINC000376345334 530322312 /nfs/dbraw/zinc/32/23/12/530322312.db2.gz AEJQELSSSLVBQG-UHFFFAOYSA-N -1 3 379.435 -0.666 20 0 GBADHM COC(=O)[C@H](C)CS(=O)(=O)[N-]C1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 ZINC000376347913 530322351 /nfs/dbraw/zinc/32/23/51/530322351.db2.gz KRIZQLCRJINVRC-SECBINFHSA-N -1 3 379.435 -0.810 20 0 GBADHM COC(=O)[C@@H](C)CS(=O)(=O)[N-]C1(C(N)=O)CN(C(=O)OC(C)(C)C)C1 ZINC000376347917 530322296 /nfs/dbraw/zinc/32/22/96/530322296.db2.gz KRIZQLCRJINVRC-VIFPVBQESA-N -1 3 379.435 -0.810 20 0 GBADHM CN1C(=O)C[C@@H]([N-]S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1=O ZINC000376348540 530322257 /nfs/dbraw/zinc/32/22/57/530322257.db2.gz GXYHPBHQDHSAGT-GFCCVEGCSA-N -1 3 385.829 -0.159 20 0 GBADHM CN1C(=O)C[C@H]([N-]S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1=O ZINC000376348542 530322380 /nfs/dbraw/zinc/32/23/80/530322380.db2.gz GXYHPBHQDHSAGT-LBPRGKRZSA-N -1 3 385.829 -0.159 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@H](S(=O)(=O)NC)C2)ccc1F ZINC000376640898 530322574 /nfs/dbraw/zinc/32/25/74/530322574.db2.gz JMCAKBAZHFKAOS-JTQLQIEISA-N -1 3 394.450 -0.111 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)N2CC[C@@H](S(=O)(=O)NC)C2)ccc1F ZINC000376640899 530322776 /nfs/dbraw/zinc/32/27/76/530322776.db2.gz JMCAKBAZHFKAOS-SNVBAGLBSA-N -1 3 394.450 -0.111 20 0 GBADHM CCOC(=O)c1nnc(C2CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)CC2)[n-]1 ZINC000377079382 1073134328 /nfs/dbraw/zinc/13/43/28/1073134328.db2.gz CHCVVIQVDXYEMP-JTQLQIEISA-N -1 3 387.462 -0.033 20 0 GBADHM CCOC(=O)c1nc(C2CCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)CC2)n[n-]1 ZINC000377079382 1073134325 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/nfs/dbraw/zinc/35/09/11/530350911.db2.gz VNYVDGGWZCHCOZ-LBPRGKRZSA-N -1 3 375.472 -0.116 20 0 GBADHM CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000420755881 530351002 /nfs/dbraw/zinc/35/10/02/530351002.db2.gz AHDCMWIVAGVLRU-CYBMUJFWSA-N -1 3 392.499 -0.120 20 0 GBADHM CC(C)N(C[C@H](O)CO)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000420755882 530350990 /nfs/dbraw/zinc/35/09/90/530350990.db2.gz AHDCMWIVAGVLRU-ZDUSSCGKSA-N -1 3 392.499 -0.120 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000420757587 530351052 /nfs/dbraw/zinc/35/10/52/530351052.db2.gz PSQVKKDIQWLERW-LLVKDONJSA-N -1 3 378.472 -0.245 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000420757588 530351065 /nfs/dbraw/zinc/35/10/65/530351065.db2.gz PSQVKKDIQWLERW-NSHDSACASA-N -1 3 378.472 -0.245 20 0 GBADHM CC(C)N(C[C@H](O)CO)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000420767819 530350908 /nfs/dbraw/zinc/35/09/08/530350908.db2.gz NVEVRXOOHHJDAC-JTQLQIEISA-N -1 3 384.451 -0.051 20 0 GBADHM CC(C)N(C[C@@H](O)CO)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000420767821 530350872 /nfs/dbraw/zinc/35/08/72/530350872.db2.gz NVEVRXOOHHJDAC-SNVBAGLBSA-N -1 3 384.451 -0.051 20 0 GBADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C[C@@H](O)CO)C(C)C ZINC000420773760 530350957 /nfs/dbraw/zinc/35/09/57/530350957.db2.gz XSTNGZDBPSTTCI-GFCCVEGCSA-N -1 3 380.488 -0.263 20 0 GBADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C[C@H](O)CO)C(C)C ZINC000420773761 530350931 /nfs/dbraw/zinc/35/09/31/530350931.db2.gz XSTNGZDBPSTTCI-LBPRGKRZSA-N -1 3 380.488 -0.263 20 0 GBADHM COC(=O)[C@@H](CNC(=O)C(=O)NCC(=O)N(C)C)Cc1ccc([O-])c(F)c1 ZINC000421301602 1072325428 /nfs/dbraw/zinc/32/54/28/1072325428.db2.gz JBAKDZNNKBCHKQ-LLVKDONJSA-N -1 3 383.376 -0.816 20 0 GBADHM COC(=O)[C@H](CNC(=O)C(=O)NCC(=O)N(C)C)Cc1ccc([O-])c(F)c1 ZINC000421301606 1072325759 /nfs/dbraw/zinc/32/57/59/1072325759.db2.gz JBAKDZNNKBCHKQ-NSHDSACASA-N -1 3 383.376 -0.816 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@H](CO)OC(C)(C)C1 ZINC000421925861 530354760 /nfs/dbraw/zinc/35/47/60/530354760.db2.gz PSDQHXVFDMBZTO-CMPLNLGQSA-N -1 3 375.447 -0.043 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H](CO)OC(C)(C)C1 ZINC000421925867 530354825 /nfs/dbraw/zinc/35/48/25/530354825.db2.gz PSDQHXVFDMBZTO-JQWIXIFHSA-N -1 3 375.447 -0.043 20 0 GBADHM CC1(C)CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@H](CO)O1 ZINC000421926676 530354831 /nfs/dbraw/zinc/35/48/31/530354831.db2.gz QHNJDXGIDKEIQY-MRVPVSSYSA-N -1 3 376.207 -0.290 20 0 GBADHM CC1(C)CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C[C@@H](CO)O1 ZINC000421926684 530354984 /nfs/dbraw/zinc/35/49/84/530354984.db2.gz QHNJDXGIDKEIQY-QMMMGPOBSA-N -1 3 376.207 -0.290 20 0 GBADHM COC(=O)[C@@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)Cc1ccc([O-])c(F)c1 ZINC000422034690 1072345117 /nfs/dbraw/zinc/34/51/17/1072345117.db2.gz FKYISXTUVFABIJ-GFCCVEGCSA-N -1 3 393.371 -0.460 20 0 GBADHM COC(=O)[C@H](CNC(=O)Cn1ccc(=O)n(C)c1=O)Cc1ccc([O-])c(F)c1 ZINC000422034691 1072345513 /nfs/dbraw/zinc/34/55/13/1072345513.db2.gz FKYISXTUVFABIJ-LBPRGKRZSA-N -1 3 393.371 -0.460 20 0 GBADHM COC(=O)[C@@H](CNC(=O)[C@H](C)NS(C)(=O)=O)Cc1ccc([O-])c(F)c1 ZINC000422034980 530355536 /nfs/dbraw/zinc/35/55/36/530355536.db2.gz GBKMYZKMMXMSOQ-GXSJLCMTSA-N -1 3 376.406 -0.083 20 0 GBADHM COC(=O)[C@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)Cc1ccc([O-])c(F)c1 ZINC000422034981 530355436 /nfs/dbraw/zinc/35/54/36/530355436.db2.gz GBKMYZKMMXMSOQ-KOLCDFICSA-N -1 3 376.406 -0.083 20 0 GBADHM COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(C)(=O)=O)Cc1ccc([O-])c(F)c1 ZINC000422034982 530355206 /nfs/dbraw/zinc/35/52/06/530355206.db2.gz GBKMYZKMMXMSOQ-MWLCHTKSSA-N -1 3 376.406 -0.083 20 0 GBADHM COC(=O)[C@H](CNC(=O)[C@H](C)NS(C)(=O)=O)Cc1ccc([O-])c(F)c1 ZINC000422034983 530355286 /nfs/dbraw/zinc/35/52/86/530355286.db2.gz GBKMYZKMMXMSOQ-ONGXEEELSA-N -1 3 376.406 -0.083 20 0 GBADHM COC(=O)[C@@H](CNC(=O)CN(C)S(C)(=O)=O)Cc1ccc([O-])c(F)c1 ZINC000422035440 530355225 /nfs/dbraw/zinc/35/52/25/530355225.db2.gz GXYPLHGRLQKCLK-LLVKDONJSA-N -1 3 376.406 -0.129 20 0 GBADHM COC(=O)[C@H](CNC(=O)CN(C)S(C)(=O)=O)Cc1ccc([O-])c(F)c1 ZINC000422035441 530355334 /nfs/dbraw/zinc/35/53/34/530355334.db2.gz GXYPLHGRLQKCLK-NSHDSACASA-N -1 3 376.406 -0.129 20 0 GBADHM COC(=O)[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)Cc1ccc([O-])c(F)c1 ZINC000422037265 1072345344 /nfs/dbraw/zinc/34/53/44/1072345344.db2.gz KAXKSYMULHLYHT-CYBMUJFWSA-N -1 3 381.404 -0.247 20 0 GBADHM COC(=O)[C@H](CNC(=O)CN1CCN(C)C(=O)C1)Cc1ccc([O-])c(F)c1 ZINC000422037276 1072345301 /nfs/dbraw/zinc/34/53/01/1072345301.db2.gz KAXKSYMULHLYHT-ZDUSSCGKSA-N -1 3 381.404 -0.247 20 0 GBADHM COC(=O)[C@@H](CNC(=O)CCn1ncn(C)c1=O)Cc1ccc([O-])c(F)c1 ZINC000422041270 1072345673 /nfs/dbraw/zinc/34/56/73/1072345673.db2.gz OGGFUJGWVMEOQZ-GFCCVEGCSA-N -1 3 380.376 -0.035 20 0 GBADHM COC(=O)[C@H](CNC(=O)CCn1ncn(C)c1=O)Cc1ccc([O-])c(F)c1 ZINC000422041282 1072345535 /nfs/dbraw/zinc/34/55/35/1072345535.db2.gz OGGFUJGWVMEOQZ-LBPRGKRZSA-N -1 3 380.376 -0.035 20 0 GBADHM CNS(=O)(=O)NCC(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422043542 530355511 /nfs/dbraw/zinc/35/55/11/530355511.db2.gz QNBPZFJPJMXVJA-JTQLQIEISA-N -1 3 377.394 -0.967 20 0 GBADHM CNS(=O)(=O)NCC(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422043551 530355353 /nfs/dbraw/zinc/35/53/53/530355353.db2.gz QNBPZFJPJMXVJA-SNVBAGLBSA-N -1 3 377.394 -0.967 20 0 GBADHM COC(=O)[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)Cc1ccc([O-])c(F)c1 ZINC000422045056 1072346405 /nfs/dbraw/zinc/34/64/05/1072346405.db2.gz RTIZZMLPJZMIKB-LLVKDONJSA-N -1 3 381.360 -0.127 20 0 GBADHM COC(=O)[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)Cc1ccc([O-])c(F)c1 ZINC000422045073 1072346648 /nfs/dbraw/zinc/34/66/48/1072346648.db2.gz RTIZZMLPJZMIKB-NSHDSACASA-N -1 3 381.360 -0.127 20 0 GBADHM CCS(=O)(=O)NCC(=O)NC[C@@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422048686 530355330 /nfs/dbraw/zinc/35/53/30/530355330.db2.gz WBLHHTFSGZTRTA-LLVKDONJSA-N -1 3 376.406 -0.082 20 0 GBADHM CCS(=O)(=O)NCC(=O)NC[C@H](Cc1ccc([O-])c(F)c1)C(=O)OC ZINC000422048692 530355325 /nfs/dbraw/zinc/35/53/25/530355325.db2.gz WBLHHTFSGZTRTA-NSHDSACASA-N -1 3 376.406 -0.082 20 0 GBADHM COC(=O)[C@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)Cc1ccc([O-])c(F)c1 ZINC000422048824 1072346370 /nfs/dbraw/zinc/34/63/70/1072346370.db2.gz WGPBHQODCURBAD-JTQLQIEISA-N -1 3 395.343 -0.600 20 0 GBADHM COC(=O)[C@@H](CNC(=O)CN1C(=O)C(=O)N(C)C1=O)Cc1ccc([O-])c(F)c1 ZINC000422048827 1072346328 /nfs/dbraw/zinc/34/63/28/1072346328.db2.gz WGPBHQODCURBAD-SNVBAGLBSA-N -1 3 395.343 -0.600 20 0 GBADHM COC(=O)[C@@H](CNC(=O)CS(=O)(=O)N(C)C)Cc1ccc([O-])c(F)c1 ZINC000422051580 530355505 /nfs/dbraw/zinc/35/55/05/530355505.db2.gz YSXRECSPNSISRM-LLVKDONJSA-N -1 3 376.406 -0.129 20 0 GBADHM COC(=O)[C@H](CNC(=O)CS(=O)(=O)N(C)C)Cc1ccc([O-])c(F)c1 ZINC000422051581 530355417 /nfs/dbraw/zinc/35/54/17/530355417.db2.gz YSXRECSPNSISRM-NSHDSACASA-N -1 3 376.406 -0.129 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCc2nnnn2CC1 ZINC000422175658 530355397 /nfs/dbraw/zinc/35/53/97/530355397.db2.gz ATOSLBBBERZYNM-JTQLQIEISA-N -1 3 385.475 -0.283 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCc2nnnn2CC1 ZINC000422175659 530355455 /nfs/dbraw/zinc/35/54/55/530355455.db2.gz ATOSLBBBERZYNM-SNVBAGLBSA-N -1 3 385.475 -0.283 20 0 GBADHM COC(=O)C[C@H](N)C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000424009625 530356977 /nfs/dbraw/zinc/35/69/77/530356977.db2.gz ZPXNVVRQFNQNAU-JTQLQIEISA-N -1 3 381.813 -0.236 20 0 GBADHM CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424474857 1072595538 /nfs/dbraw/zinc/59/55/38/1072595538.db2.gz BBAXQZVRDGCUQU-CYBMUJFWSA-N -1 3 382.461 -0.632 20 0 GBADHM CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424474859 1072595512 /nfs/dbraw/zinc/59/55/12/1072595512.db2.gz BBAXQZVRDGCUQU-ZDUSSCGKSA-N -1 3 382.461 -0.632 20 0 GBADHM CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000424476913 1072595563 /nfs/dbraw/zinc/59/55/63/1072595563.db2.gz DGSHLLQVKKNDFF-UHFFFAOYSA-N -1 3 384.477 -0.384 20 0 GBADHM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)[O-] ZINC000424483363 1072596233 /nfs/dbraw/zinc/59/62/33/1072596233.db2.gz PVXPOSPWXOZEFO-HNNXBMFYSA-N -1 3 396.488 -0.384 20 0 GBADHM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)[O-] ZINC000424483364 1072596495 /nfs/dbraw/zinc/59/64/95/1072596495.db2.gz PVXPOSPWXOZEFO-OAHLLOKOSA-N -1 3 396.488 -0.384 20 0 GBADHM CC(C)(CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)[O-] ZINC000424483839 1072596696 /nfs/dbraw/zinc/59/66/96/1072596696.db2.gz RQHZZAKRFFAHDX-UHFFFAOYSA-N -1 3 382.461 -0.630 20 0 GBADHM CCC(CC)(CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)[O-] ZINC000424492241 1072598835 /nfs/dbraw/zinc/59/88/35/1072598835.db2.gz MHTBEIMUKUZRGK-UHFFFAOYSA-N -1 3 396.488 -0.240 20 0 GBADHM CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000424494772 1072599640 /nfs/dbraw/zinc/59/96/40/1072599640.db2.gz PVYUCPHNKXVMTE-HNNXBMFYSA-N -1 3 398.504 -0.138 20 0 GBADHM CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])CC1 ZINC000424494773 1072599484 /nfs/dbraw/zinc/59/94/84/1072599484.db2.gz PVYUCPHNKXVMTE-OAHLLOKOSA-N -1 3 398.504 -0.138 20 0 GBADHM CCC(CC)(CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)[O-] ZINC000424498759 1072600387 /nfs/dbraw/zinc/60/03/87/1072600387.db2.gz XMTIVBDXNNKGOV-AWEZNQCLSA-N -1 3 396.488 -0.241 20 0 GBADHM CCC(CC)(CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)[O-] ZINC000424498761 1072600381 /nfs/dbraw/zinc/60/03/81/1072600381.db2.gz XMTIVBDXNNKGOV-CQSZACIVSA-N -1 3 396.488 -0.241 20 0 GBADHM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)[O-] ZINC000424499467 1072600468 /nfs/dbraw/zinc/60/04/68/1072600468.db2.gz YIUOUBKPZOGTDP-CABCVRRESA-N -1 3 396.488 -0.386 20 0 GBADHM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)[O-] ZINC000424499471 1072600374 /nfs/dbraw/zinc/60/03/74/1072600374.db2.gz YIUOUBKPZOGTDP-GJZGRUSLSA-N -1 3 396.488 -0.386 20 0 GBADHM CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)[O-] ZINC000424499474 1072600656 /nfs/dbraw/zinc/60/06/56/1072600656.db2.gz YIUOUBKPZOGTDP-HUUCEWRRSA-N -1 3 396.488 -0.386 20 0 GBADHM CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)[O-] ZINC000424499476 1072600728 /nfs/dbraw/zinc/60/07/28/1072600728.db2.gz YIUOUBKPZOGTDP-LSDHHAIUSA-N -1 3 396.488 -0.386 20 0 GBADHM COC(=O)c1cnc([C@@H](C)NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)s1 ZINC000425000800 530098378 /nfs/dbraw/zinc/09/83/78/530098378.db2.gz PFWHHHIYNMUXAN-MRVPVSSYSA-N -1 3 387.443 -0.181 20 0 GBADHM COC(=O)c1cnc([C@H](C)NC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)s1 ZINC000425000801 530098209 /nfs/dbraw/zinc/09/82/09/530098209.db2.gz PFWHHHIYNMUXAN-QMMMGPOBSA-N -1 3 387.443 -0.181 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CC(O)(C(F)F)C2)s1 ZINC000425025270 530346442 /nfs/dbraw/zinc/34/64/42/530346442.db2.gz RVTILEFUSGWFHW-UHFFFAOYSA-N -1 3 397.425 -0.499 20 0 GBADHM Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2ccn(CCC(F)(F)F)n2)c1 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HJHRHGBRJZEEOV-GFCCVEGCSA-N -1 3 392.441 -0.065 20 0 GBADHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@H]2CCCN(c3ncc[nH]c3=O)C2)c1 ZINC000434188405 1072430471 /nfs/dbraw/zinc/43/04/71/1072430471.db2.gz HJHRHGBRJZEEOV-LBPRGKRZSA-N -1 3 392.441 -0.065 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c(C)o1 ZINC000434233070 1072616152 /nfs/dbraw/zinc/61/61/52/1072616152.db2.gz BUEOENVPYGXJCF-UHFFFAOYSA-N -1 3 394.409 -0.036 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c(C)o1 ZINC000434264839 1072616764 /nfs/dbraw/zinc/61/67/64/1072616764.db2.gz DEZWYIQIYFKFOR-GFCCVEGCSA-N -1 3 381.414 -0.235 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c(C)o1 ZINC000434264841 1072616934 /nfs/dbraw/zinc/61/69/34/1072616934.db2.gz DEZWYIQIYFKFOR-LBPRGKRZSA-N -1 3 381.414 -0.235 20 0 GBADHM COC(=O)CC1(NC(=O)c2cc(=O)[n-]c(N(C)C)n2)CCS(=O)(=O)CC1 ZINC000434272533 1072617118 /nfs/dbraw/zinc/61/71/18/1072617118.db2.gz UYCGACMPVHCOKS-UHFFFAOYSA-N -1 3 386.430 -0.512 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CC(O)(C3CC3)C2)s1 ZINC000434279229 530381305 /nfs/dbraw/zinc/38/13/05/530381305.db2.gz YECBXUUTQUZSSK-UHFFFAOYSA-N -1 3 387.483 -0.354 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@](C)(O)CN2CCOCC2)c(C)o1 ZINC000434312538 530381149 /nfs/dbraw/zinc/38/11/49/530381149.db2.gz NGAPDGVMZDGKRY-HNNXBMFYSA-N -1 3 375.447 -0.691 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)CN2CCOCC2)c(C)o1 ZINC000434312539 530381298 /nfs/dbraw/zinc/38/12/98/530381298.db2.gz NGAPDGVMZDGKRY-OAHLLOKOSA-N -1 3 375.447 -0.691 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3nccn(C)c3=O)CC2)c(C)o1 ZINC000434324405 1072619115 /nfs/dbraw/zinc/61/91/15/1072619115.db2.gz CWKTUNCLRVDODJ-UHFFFAOYSA-N -1 3 395.441 -0.448 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2CS(=O)(=O)NC)c(C)o1 ZINC000434329196 530381407 /nfs/dbraw/zinc/38/14/07/530381407.db2.gz XTVMVHQWSYMLLP-JTQLQIEISA-N -1 3 379.460 -0.350 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)c(C)o1 ZINC000434329297 530381121 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20 0 GBADHM C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@@H](O)[C@@H](N(C)CC(=O)[O-])C1 ZINC000435704856 530382728 /nfs/dbraw/zinc/38/27/28/530382728.db2.gz GOMGMMJJASCCHQ-GARJFASQSA-N -1 3 391.471 -0.997 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435704857 530382619 /nfs/dbraw/zinc/38/26/19/530382619.db2.gz GOMGMMJJASCCHQ-GMTAPVOTSA-N -1 3 391.471 -0.997 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H](O)[C@H]([N@H+](C)CC(=O)[O-])C1 ZINC000435704857 530382618 /nfs/dbraw/zinc/38/26/18/530382618.db2.gz GOMGMMJJASCCHQ-GMTAPVOTSA-N -1 3 391.471 -0.997 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1C[C@@H](O)[C@H](N(C)CC(=O)[O-])C1 ZINC000435704857 530382615 /nfs/dbraw/zinc/38/26/15/530382615.db2.gz GOMGMMJJASCCHQ-GMTAPVOTSA-N -1 3 391.471 -0.997 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435704858 530382680 /nfs/dbraw/zinc/38/26/80/530382680.db2.gz GOMGMMJJASCCHQ-HBNTYKKESA-N -1 3 391.471 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3 384.332 -0.123 20 0 GBADHM CC(C)(C)OC(=O)[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480902087 530427492 /nfs/dbraw/zinc/42/74/92/530427492.db2.gz AQJQFCFZKODUDE-AWEZNQCLSA-N -1 3 394.471 -0.144 20 0 GBADHM CC(C)(C)OC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480902088 530427660 /nfs/dbraw/zinc/42/76/60/530427660.db2.gz AQJQFCFZKODUDE-CQSZACIVSA-N -1 3 394.471 -0.144 20 0 GBADHM CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000480908312 530427484 /nfs/dbraw/zinc/42/74/84/530427484.db2.gz GGJRDHSQRLRKTH-GFCCVEGCSA-N -1 3 397.450 -0.639 20 0 GBADHM CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000480908314 530427645 /nfs/dbraw/zinc/42/76/45/530427645.db2.gz GGJRDHSQRLRKTH-LBPRGKRZSA-N -1 3 397.450 -0.639 20 0 GBADHM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000480908994 530427676 /nfs/dbraw/zinc/42/76/76/530427676.db2.gz JPCRCMIBVRIFRK-MRVPVSSYSA-N -1 3 397.247 -0.149 20 0 GBADHM CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000480908995 530427535 /nfs/dbraw/zinc/42/75/35/530427535.db2.gz JPCRCMIBVRIFRK-QMMMGPOBSA-N -1 3 397.247 -0.149 20 0 GBADHM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000480913188 530427626 /nfs/dbraw/zinc/42/76/26/530427626.db2.gz OQALAUGPLYVKFE-GFCCVEGCSA-N -1 3 375.834 -0.809 20 0 GBADHM CNC(=O)[C@H](CO)[N-]S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 ZINC000480913189 530427589 /nfs/dbraw/zinc/42/75/89/530427589.db2.gz OQALAUGPLYVKFE-LBPRGKRZSA-N -1 3 375.834 -0.809 20 0 GBADHM Cc1ncc(CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)c(=O)[n-]1 ZINC000480914502 530427716 /nfs/dbraw/zinc/42/77/16/530427716.db2.gz QRPCQMJBPKCINC-UHFFFAOYSA-N -1 3 378.476 -0.418 20 0 GBADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](CCO)C2CCOCC2)cn1 ZINC000480916827 530427927 /nfs/dbraw/zinc/42/79/27/530427927.db2.gz WNSMRQVOGHHHGO-CYBMUJFWSA-N -1 3 378.472 -0.059 20 0 GBADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCO)C2CCOCC2)cn1 ZINC000480916828 530428126 /nfs/dbraw/zinc/42/81/26/530428126.db2.gz WNSMRQVOGHHHGO-ZDUSSCGKSA-N -1 3 378.472 -0.059 20 0 GBADHM COC(=O)CCN1CC[C@H]([N-]S(=O)(=O)[C@@H]2CCC[C@H]2C(=O)OC)C1=O ZINC000480921807 530428069 /nfs/dbraw/zinc/42/80/69/530428069.db2.gz SXLNORLPGRWIBI-GRYCIOLGSA-N -1 3 376.431 -0.589 20 0 GBADHM COC(=O)CCN1CC[C@H]([N-]S(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)C1=O ZINC000480921808 530428055 /nfs/dbraw/zinc/42/80/55/530428055.db2.gz SXLNORLPGRWIBI-SDDRHHMPSA-N -1 3 376.431 -0.589 20 0 GBADHM COC(=O)CCN1CC[C@H]([N-]S(=O)(=O)[C@H]2CCC[C@@H]2C(=O)OC)C1=O ZINC000480921809 530427957 /nfs/dbraw/zinc/42/79/57/530427957.db2.gz SXLNORLPGRWIBI-SRVKXCTJSA-N -1 3 376.431 -0.589 20 0 GBADHM COC(=O)CCN1CC[C@H]([N-]S(=O)(=O)[C@H]2CCC[C@H]2C(=O)OC)C1=O ZINC000480921810 530428028 /nfs/dbraw/zinc/42/80/28/530428028.db2.gz SXLNORLPGRWIBI-WOPDTQHZSA-N -1 3 376.431 -0.589 20 0 GBADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCS2(=O)=O)cn1 ZINC000480922052 530428122 /nfs/dbraw/zinc/42/81/22/530428122.db2.gz VRFZRUBSHXHOHM-JTQLQIEISA-N -1 3 382.485 -0.269 20 0 GBADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCS2(=O)=O)cn1 ZINC000480922053 530428008 /nfs/dbraw/zinc/42/80/08/530428008.db2.gz VRFZRUBSHXHOHM-SNVBAGLBSA-N -1 3 382.485 -0.269 20 0 GBADHM COC(=O)C[C@@]1([N-]S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCOC1 ZINC000480924427 530427996 /nfs/dbraw/zinc/42/79/96/530427996.db2.gz FVASEVRMABHHOC-AWEZNQCLSA-N -1 3 398.503 -0.700 20 0 GBADHM COC(=O)C[C@]1([N-]S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CCOC1 ZINC000480924448 530427879 /nfs/dbraw/zinc/42/78/79/530427879.db2.gz FVASEVRMABHHOC-CQSZACIVSA-N -1 3 398.503 -0.700 20 0 GBADHM COC(=O)C[C@]1([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CCOC1 ZINC000480929146 530428104 /nfs/dbraw/zinc/42/81/04/530428104.db2.gz OVRBKWRHFJAJNG-CYBMUJFWSA-N -1 3 378.428 -0.514 20 0 GBADHM COC(=O)C[C@@]1([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)CCOC1 ZINC000480929147 530427986 /nfs/dbraw/zinc/42/79/86/530427986.db2.gz OVRBKWRHFJAJNG-ZDUSSCGKSA-N -1 3 378.428 -0.514 20 0 GBADHM COCCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480929560 530427908 /nfs/dbraw/zinc/42/79/08/530427908.db2.gz NGCYVQVTQKTWIX-CHWSQXEVSA-N -1 3 394.471 -0.416 20 0 GBADHM COCCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480929561 530428051 /nfs/dbraw/zinc/42/80/51/530428051.db2.gz NGCYVQVTQKTWIX-OLZOCXBDSA-N -1 3 394.471 -0.416 20 0 GBADHM COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480929562 530427980 /nfs/dbraw/zinc/42/79/80/530427980.db2.gz NGCYVQVTQKTWIX-QWHCGFSZSA-N -1 3 394.471 -0.416 20 0 GBADHM COCCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000480929564 530427871 /nfs/dbraw/zinc/42/78/71/530427871.db2.gz NGCYVQVTQKTWIX-STQMWFEESA-N -1 3 394.471 -0.416 20 0 GBADHM COc1ccc(S(=O)(=O)[N-]CCC(=O)N[C@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000481040079 530427968 /nfs/dbraw/zinc/42/79/68/530427968.db2.gz RZLLKXIWWSCCDO-JTQLQIEISA-N -1 3 394.446 -0.194 20 0 GBADHM COc1ccc(S(=O)(=O)[N-]CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(F)c1 ZINC000481040084 530427933 /nfs/dbraw/zinc/42/79/33/530427933.db2.gz RZLLKXIWWSCCDO-SNVBAGLBSA-N -1 3 394.446 -0.194 20 0 GBADHM CN(C)[C@]1(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCSC1 ZINC000481190578 530428280 /nfs/dbraw/zinc/42/82/80/530428280.db2.gz LSMUMPLXXQHCKV-AWEZNQCLSA-N -1 3 390.487 -0.790 20 0 GBADHM CN(C)[C@@]1(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCSC1 ZINC000481190579 530428262 /nfs/dbraw/zinc/42/82/62/530428262.db2.gz LSMUMPLXXQHCKV-CQSZACIVSA-N -1 3 390.487 -0.790 20 0 GBADHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](CO)COC)s1 ZINC000481231621 530428282 /nfs/dbraw/zinc/42/82/82/530428282.db2.gz JZWLFSRTKRLHBE-JTQLQIEISA-N -1 3 386.517 -0.485 20 0 GBADHM CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](CO)COC)s1 ZINC000481231622 530428385 /nfs/dbraw/zinc/42/83/85/530428385.db2.gz JZWLFSRTKRLHBE-SNVBAGLBSA-N -1 3 386.517 -0.485 20 0 GBADHM COC[C@@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000481250649 530428416 /nfs/dbraw/zinc/42/84/16/530428416.db2.gz KSGJNBQTSYSHHP-GFCCVEGCSA-N -1 3 378.472 -0.243 20 0 GBADHM COC[C@H](CO)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000481250651 530428264 /nfs/dbraw/zinc/42/82/64/530428264.db2.gz KSGJNBQTSYSHHP-LBPRGKRZSA-N -1 3 378.472 -0.243 20 0 GBADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000481477338 530428727 /nfs/dbraw/zinc/42/87/27/530428727.db2.gz HLYROBARGMDJDL-AWEZNQCLSA-N -1 3 375.472 -0.129 20 0 GBADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000481477339 530428988 /nfs/dbraw/zinc/42/89/88/530428988.db2.gz HLYROBARGMDJDL-CQSZACIVSA-N -1 3 375.472 -0.129 20 0 GBADHM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC(=O)NCC(F)F ZINC000481574737 530428847 /nfs/dbraw/zinc/42/88/47/530428847.db2.gz TXMOKJJDNQAZFN-UHFFFAOYSA-N -1 3 385.414 -0.356 20 0 GBADHM O=C(C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)NCC(F)F ZINC000481580271 530428899 /nfs/dbraw/zinc/42/88/99/530428899.db2.gz SHWVEKGSUKNMSZ-UHFFFAOYSA-N -1 3 397.425 -0.213 20 0 GBADHM O=S(=O)(NC1CC1)c1ccc(O)c([N-]S(=O)(=O)N2CCOCC2)c1 ZINC000481617369 530429324 /nfs/dbraw/zinc/42/93/24/530429324.db2.gz RRYLQPNWTTVWKP-UHFFFAOYSA-N -1 3 377.444 -0.178 20 0 GBADHM Cc1nc(C2([N-]S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)CCCC2)no1 ZINC000481849260 530429465 /nfs/dbraw/zinc/42/94/65/530429465.db2.gz VWJUKXLDWCGMIG-UHFFFAOYSA-N -1 3 393.491 -0.441 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2C[C@@H](C)[C@H](CO)C2)s1 ZINC000481916494 530429419 /nfs/dbraw/zinc/42/94/19/530429419.db2.gz GEKMPHIUASSPMZ-PWSUYJOCSA-N -1 3 389.499 -0.251 20 0 GBADHM CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C[C@@H]2NC(=O)[N-]C2=O)s1 ZINC000481988705 530429276 /nfs/dbraw/zinc/42/92/76/530429276.db2.gz DBAKXDZFASHYCW-JTQLQIEISA-N -1 3 388.471 -0.007 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NCCC(C)(C)O)s1 ZINC000482031164 530429146 /nfs/dbraw/zinc/42/91/46/530429146.db2.gz IBXIGWCEKFVTOG-UHFFFAOYSA-N -1 3 377.488 -0.060 20 0 GBADHM CCN(C)C(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000482166259 530429761 /nfs/dbraw/zinc/42/97/61/530429761.db2.gz CBHBUMLOIRYIQV-UHFFFAOYSA-N -1 3 390.487 -0.743 20 0 GBADHM CO[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000482201224 530429913 /nfs/dbraw/zinc/42/99/13/530429913.db2.gz WSFXMWQWAFSJLU-NSHDSACASA-N -1 3 375.472 -0.090 20 0 GBADHM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482202847 530429754 /nfs/dbraw/zinc/42/97/54/530429754.db2.gz ALFWTWDDACYNKQ-LURJTMIESA-N -1 3 381.340 -0.460 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000482202848 530429852 /nfs/dbraw/zinc/42/98/52/530429852.db2.gz ALFWTWDDACYNKQ-ZCFIWIBFSA-N -1 3 381.340 -0.460 20 0 GBADHM CN(C)C(=O)COC1CN(C(=O)CC[N-]S(=O)(=O)c2cccs2)C1 ZINC000482237538 530429707 /nfs/dbraw/zinc/42/97/07/530429707.db2.gz FBRWGFNYJHMHPA-UHFFFAOYSA-N -1 3 375.472 -0.268 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000482239668 530429661 /nfs/dbraw/zinc/42/96/61/530429661.db2.gz FINIBUAJYYOWSS-JTQLQIEISA-N -1 3 375.472 -0.270 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000482239670 530429809 /nfs/dbraw/zinc/42/98/09/530429809.db2.gz FINIBUAJYYOWSS-SNVBAGLBSA-N -1 3 375.472 -0.270 20 0 GBADHM CN(C)C(=O)COC1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000482253046 530429790 /nfs/dbraw/zinc/42/97/90/530429790.db2.gz OPAHGSUGJUSORM-UHFFFAOYSA-N -1 3 395.890 -0.005 20 0 GBADHM CO[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000482265976 530429921 /nfs/dbraw/zinc/42/99/21/530429921.db2.gz WSFXMWQWAFSJLU-LLVKDONJSA-N -1 3 375.472 -0.090 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)c(C)o1 ZINC000482642502 530430148 /nfs/dbraw/zinc/43/01/48/530430148.db2.gz CBFYVVPGIRXTTR-SNVBAGLBSA-N -1 3 376.387 -0.279 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@H](CO)[C@@H]1CCOC1 ZINC000482714686 530430035 /nfs/dbraw/zinc/43/00/35/530430035.db2.gz PNNYBQMQMOFPQI-CYZMBNFOSA-N -1 3 375.447 -0.281 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@@H](CO)[C@H]1CCOC1 ZINC000482714694 530430305 /nfs/dbraw/zinc/43/03/05/530430305.db2.gz PNNYBQMQMOFPQI-DRZSPHRISA-N -1 3 375.447 -0.281 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@@H](CO)[C@@H]1CCOC1 ZINC000482714696 530430302 /nfs/dbraw/zinc/43/03/02/530430302.db2.gz PNNYBQMQMOFPQI-UHTWSYAYSA-N -1 3 375.447 -0.281 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@H](CO)[C@H]1CCOC1 ZINC000482714698 530430163 /nfs/dbraw/zinc/43/01/63/530430163.db2.gz PNNYBQMQMOFPQI-WCFLWFBJSA-N -1 3 375.447 -0.281 20 0 GBADHM CCN1CN(C(=O)C[N-]S(=O)(=O)c2ccc(CNC(C)=O)s2)CC1=O ZINC000483040997 530430464 /nfs/dbraw/zinc/43/04/64/530430464.db2.gz MWFYKQRUCLFTLI-UHFFFAOYSA-N -1 3 388.471 -0.689 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CC[C@](C)(O)C2)s1 ZINC000483045083 530430433 /nfs/dbraw/zinc/43/04/33/530430433.db2.gz CXWGIOLNJVXNPP-AWEZNQCLSA-N -1 3 375.472 -0.354 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CC[C@@](C)(O)C2)s1 ZINC000483045084 530430507 /nfs/dbraw/zinc/43/05/07/530430507.db2.gz CXWGIOLNJVXNPP-CQSZACIVSA-N -1 3 375.472 -0.354 20 0 GBADHM CCOCCOC[C@H](O)CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000483394794 530430422 /nfs/dbraw/zinc/43/04/22/530430422.db2.gz LYCJODPCRPIFHD-SECBINFHSA-N -1 3 394.222 -0.758 20 0 GBADHM CCOCCOC[C@@H](O)CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000483394795 530430751 /nfs/dbraw/zinc/43/07/51/530430751.db2.gz LYCJODPCRPIFHD-VIFPVBQESA-N -1 3 394.222 -0.758 20 0 GBADHM CCOCCS(=O)(=O)[N-]CC(=O)Nc1cccc(S(=O)(=O)NC)c1C ZINC000483593488 530430417 /nfs/dbraw/zinc/43/04/17/530430417.db2.gz CVJKYDGMHPZIKL-UHFFFAOYSA-N -1 3 393.487 -0.202 20 0 GBADHM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)CCNS(=O)(=O)CC ZINC000483898873 530431174 /nfs/dbraw/zinc/43/11/74/530431174.db2.gz SYDXQBUQJUAWMM-RYUDHWBXSA-N -1 3 380.492 -0.408 20 0 GBADHM CCn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000483945425 530431045 /nfs/dbraw/zinc/43/10/45/530431045.db2.gz VCEVUJRGDQAXQP-STQMWFEESA-N -1 3 394.519 -0.066 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CCC(=O)NC[C@H]2CCCS2(=O)=O)cn1C ZINC000484100567 530431049 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JFRUSLAHPPVNRT-JTQLQIEISA-N -1 3 381.451 -0.263 20 0 GBADHM CCNS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](C)C(=O)NCCF ZINC000499692587 530148584 /nfs/dbraw/zinc/14/85/84/530148584.db2.gz JFRUSLAHPPVNRT-SNVBAGLBSA-N -1 3 381.451 -0.263 20 0 GBADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C2CC2)C(=O)C1 ZINC000499693297 530444288 /nfs/dbraw/zinc/44/42/88/530444288.db2.gz KTLYIGHHFXAASZ-UHFFFAOYSA-N -1 3 387.483 -0.020 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)NCCF ZINC000499702127 530149333 /nfs/dbraw/zinc/14/93/33/530149333.db2.gz CWTMTFXMMHDPRO-JTQLQIEISA-N -1 3 393.462 -0.120 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)NCCF ZINC000499702135 530149278 /nfs/dbraw/zinc/14/92/78/530149278.db2.gz CWTMTFXMMHDPRO-SNVBAGLBSA-N -1 3 393.462 -0.120 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)NCCF ZINC000499756722 530444130 /nfs/dbraw/zinc/44/41/30/530444130.db2.gz AWWCWDXIDYOHDI-MRVPVSSYSA-N -1 3 381.813 -0.043 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)NCCF ZINC000499756723 530444172 /nfs/dbraw/zinc/44/41/72/530444172.db2.gz AWWCWDXIDYOHDI-QMMMGPOBSA-N -1 3 381.813 -0.043 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](COC)OC)ccc1F ZINC000499763300 530444431 /nfs/dbraw/zinc/44/44/31/530444431.db2.gz GBYSZBUMKNMGNS-JTQLQIEISA-N -1 3 377.394 -0.550 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](COC)OC)ccc1F ZINC000499763369 530444442 /nfs/dbraw/zinc/44/44/42/530444442.db2.gz GBYSZBUMKNMGNS-SNVBAGLBSA-N -1 3 377.394 -0.550 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)CC[S@](C)=O)ccc1F ZINC000499779293 530444164 /nfs/dbraw/zinc/44/41/64/530444164.db2.gz MDLIBCBQMOTETA-ITSYKEIMSA-N -1 3 393.462 -0.054 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)CC[S@@](C)=O)ccc1F ZINC000499779296 530444689 /nfs/dbraw/zinc/44/46/89/530444689.db2.gz MDLIBCBQMOTETA-MXUQEVIESA-N -1 3 393.462 -0.054 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CC[S@@](C)=O)ccc1F ZINC000499779297 530444699 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GBADHM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)N2CCS(=O)(=O)CC2)cc1 ZINC000500058276 530445029 /nfs/dbraw/zinc/44/50/29/530445029.db2.gz JBXNSORBOVSULW-UHFFFAOYSA-N -1 3 391.471 -0.411 20 0 GBADHM CCc1cccc(NC(=O)C[N-]S(=O)(=O)N2CCS(=O)(=O)CC2)c1 ZINC000500067501 530445057 /nfs/dbraw/zinc/44/50/57/530445057.db2.gz QCTFPDITCZYPHH-UHFFFAOYSA-N -1 3 375.472 -0.248 20 0 GBADHM O=C(C[N-]S(=O)(=O)N1CCS(=O)(=O)CC1)N1CCCc2ccccc21 ZINC000500079675 530445076 /nfs/dbraw/zinc/44/50/76/530445076.db2.gz ZGOQYHAMSMFXPQ-UHFFFAOYSA-N -1 3 387.483 -0.469 20 0 GBADHM O=C1[C@H]([N-]S(=O)(=O)N2CCS(=O)(=O)CC2)CCN1c1ccccc1F ZINC000500084544 530445135 /nfs/dbraw/zinc/44/51/35/530445135.db2.gz WALPZVGDVHBSBC-GFCCVEGCSA-N -1 3 391.446 -0.504 20 0 GBADHM O=C1[C@@H]([N-]S(=O)(=O)N2CCS(=O)(=O)CC2)CCN1c1ccccc1F ZINC000500084546 530444947 /nfs/dbraw/zinc/44/49/47/530444947.db2.gz WALPZVGDVHBSBC-LBPRGKRZSA-N -1 3 391.446 -0.504 20 0 GBADHM COC[C@@H](C(N)=O)N(C)C(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000500235415 530445497 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381.476 -0.102 20 0 GBADHM NC(=O)c1cn(C2CN(C(=O)CC[N-]S(=O)(=O)c3cccs3)C2)nn1 ZINC000500495135 530445814 /nfs/dbraw/zinc/44/58/14/530445814.db2.gz WQLZTZXUYBPBLG-UHFFFAOYSA-N -1 3 384.443 -0.810 20 0 GBADHM COC(=O)c1cn(C2CN(C(=O)C[N-]S(=O)(=O)c3cccs3)C2)nn1 ZINC000500526887 530445618 /nfs/dbraw/zinc/44/56/18/530445618.db2.gz ZYHQQUPKDXOJOX-UHFFFAOYSA-N -1 3 385.427 -0.512 20 0 GBADHM CCS(=O)(=O)C[C@H](C)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000500555107 530445776 /nfs/dbraw/zinc/44/57/76/530445776.db2.gz NVQINAUDWSPDIM-JTQLQIEISA-N -1 3 380.492 -0.664 20 0 GBADHM CCS(=O)(=O)C[C@@H](C)NC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000500555108 530445816 /nfs/dbraw/zinc/44/58/16/530445816.db2.gz NVQINAUDWSPDIM-SNVBAGLBSA-N -1 3 380.492 -0.664 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000500572082 530445744 /nfs/dbraw/zinc/44/57/44/530445744.db2.gz GXKJPHKOYFVFBG-MRVPVSSYSA-N -1 3 384.443 -0.811 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000500572083 530445632 /nfs/dbraw/zinc/44/56/32/530445632.db2.gz GXKJPHKOYFVFBG-QMMMGPOBSA-N -1 3 384.443 -0.811 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N(C)[C@H](C)C[S@](C)=O)ccc1F ZINC000500622698 530445827 /nfs/dbraw/zinc/44/58/27/530445827.db2.gz DTMJOFCTXCMNCD-ITSYKEIMSA-N -1 3 393.462 -0.102 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N(C)[C@H](C)C[S@@](C)=O)ccc1F ZINC000500622699 530445789 /nfs/dbraw/zinc/44/57/89/530445789.db2.gz DTMJOFCTXCMNCD-MXUQEVIESA-N -1 3 393.462 -0.102 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N(C)[C@@H](C)C[S@@](C)=O)ccc1F ZINC000500622700 530445730 /nfs/dbraw/zinc/44/57/30/530445730.db2.gz DTMJOFCTXCMNCD-UZKFNYRNSA-N -1 3 393.462 -0.102 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N(C)[C@@H](C)C[S@](C)=O)ccc1F ZINC000500622701 530445719 /nfs/dbraw/zinc/44/57/19/530445719.db2.gz DTMJOFCTXCMNCD-VHMAXNEBSA-N -1 3 393.462 -0.102 20 0 GBADHM CS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000500640056 530445885 /nfs/dbraw/zinc/44/58/85/530445885.db2.gz CKRDHWKVTNBGFY-UHFFFAOYSA-N -1 3 384.863 -0.083 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CCSC[C@@H]2CO)ccc1F ZINC000500642604 530446185 /nfs/dbraw/zinc/44/61/85/530446185.db2.gz RVIYKZUHZFNBNO-JTQLQIEISA-N -1 3 391.446 -0.391 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)N2CCSC[C@H]2CO)ccc1F ZINC000500642612 530446173 /nfs/dbraw/zinc/44/61/73/530446173.db2.gz RVIYKZUHZFNBNO-SNVBAGLBSA-N -1 3 391.446 -0.391 20 0 GBADHM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000500648393 530446290 /nfs/dbraw/zinc/44/62/90/530446290.db2.gz FAPKBUSVJSZGQJ-UHFFFAOYSA-N -1 3 381.867 -0.091 20 0 GBADHM Cc1nn2cc(S(=O)(=O)[N-]CCCNS(C)(=O)=O)cnc2c1Cl ZINC000500821701 530446248 /nfs/dbraw/zinc/44/62/48/530446248.db2.gz MERPFGFXWFWORY-UHFFFAOYSA-N -1 3 381.867 -0.091 20 0 GBADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)NCCN2C(=O)CNC2=O)s1 ZINC000500836673 530446256 /nfs/dbraw/zinc/44/62/56/530446256.db2.gz OCXACGASDQISBV-UHFFFAOYSA-N -1 3 375.432 -0.993 20 0 GBADHM Cc1nn2cc(S(=O)(=O)[N-]CCCN3C(=O)CNC3=O)cnc2c1Cl ZINC000500963834 530446121 /nfs/dbraw/zinc/44/61/21/530446121.db2.gz JGEMWYGOLJTFQZ-UHFFFAOYSA-N -1 3 386.821 -0.089 20 0 GBADHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)[C@H]1CCOC1 ZINC000500965677 530446075 /nfs/dbraw/zinc/44/60/75/530446075.db2.gz ORXXTIKWKFSIPV-GXSJLCMTSA-N -1 3 378.834 -0.120 20 0 GBADHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)[C@@H]1CCOC1 ZINC000500965678 530446195 /nfs/dbraw/zinc/44/61/95/530446195.db2.gz ORXXTIKWKFSIPV-KOLCDFICSA-N -1 3 378.834 -0.120 20 0 GBADHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCOC1 ZINC000500965680 530446273 /nfs/dbraw/zinc/44/62/73/530446273.db2.gz ORXXTIKWKFSIPV-MWLCHTKSSA-N -1 3 378.834 -0.120 20 0 GBADHM NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)[C@H]1CCOC1 ZINC000500965681 530446145 /nfs/dbraw/zinc/44/61/45/530446145.db2.gz ORXXTIKWKFSIPV-ONGXEEELSA-N -1 3 378.834 -0.120 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000500966677 1073931405 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Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cn1C ZINC000607134104 530210091 /nfs/dbraw/zinc/21/00/91/530210091.db2.gz NXTAJJDSZAELRV-RYUDHWBXSA-N -1 3 392.503 -0.521 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cn1C ZINC000607134105 530210079 /nfs/dbraw/zinc/21/00/79/530210079.db2.gz NXTAJJDSZAELRV-VXGBXAGGSA-N -1 3 392.503 -0.521 20 0 GBADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CN(C)Cc2nnc(C)n2C)s1 ZINC000607282309 530217583 /nfs/dbraw/zinc/21/75/83/530217583.db2.gz GCDYKVYHPQHXCL-UHFFFAOYSA-N -1 3 386.503 -0.159 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@](O)(C(F)(F)F)C2)cn1C ZINC000607386520 530226901 /nfs/dbraw/zinc/22/69/01/530226901.db2.gz YXCDFBPFNOGCGP-GFCCVEGCSA-N -1 3 384.380 -0.077 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CCC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cn1C ZINC000607386521 530226917 /nfs/dbraw/zinc/22/69/17/530226917.db2.gz YXCDFBPFNOGCGP-LBPRGKRZSA-N -1 3 384.380 -0.077 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC[C@H]2CCCO2)s1 ZINC000607715224 530073810 /nfs/dbraw/zinc/07/38/10/530073810.db2.gz DJHJULVZQMHBPB-LLVKDONJSA-N -1 3 375.472 -0.042 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)NC[C@@H]2CCCO2)s1 ZINC000607715225 530073815 /nfs/dbraw/zinc/07/38/15/530073815.db2.gz DJHJULVZQMHBPB-NSHDSACASA-N -1 3 375.472 -0.042 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H]2CC(=O)N(C)C2)s1 ZINC000607721079 530073870 /nfs/dbraw/zinc/07/38/70/530073870.db2.gz VZELPWBEIVIXDL-JTQLQIEISA-N -1 3 388.471 -0.991 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@@H]2CC(=O)N(C)C2)s1 ZINC000607721080 530073560 /nfs/dbraw/zinc/07/35/60/530073560.db2.gz VZELPWBEIVIXDL-SNVBAGLBSA-N -1 3 388.471 -0.991 20 0 GBADHM C[C@H]1C[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(=O)N1c1cnn(C)c1 ZINC000608050946 530269541 /nfs/dbraw/zinc/26/95/41/530269541.db2.gz QIFAWBAHLWGPPS-CMPLNLGQSA-N -1 3 378.476 -0.732 20 0 GBADHM C[C@H]1C[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(=O)N1c1cnn(C)c1 ZINC000608050947 530269673 /nfs/dbraw/zinc/26/96/73/530269673.db2.gz QIFAWBAHLWGPPS-JQWIXIFHSA-N -1 3 378.476 -0.732 20 0 GBADHM C[C@@H]1C[C@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(=O)N1c1cnn(C)c1 ZINC000608050948 530269394 /nfs/dbraw/zinc/26/93/94/530269394.db2.gz QIFAWBAHLWGPPS-PWSUYJOCSA-N -1 3 378.476 -0.732 20 0 GBADHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)CCCS(C)(=O)=O)C(=O)N1c1cnn(C)c1 ZINC000608050949 530269662 /nfs/dbraw/zinc/26/96/62/530269662.db2.gz QIFAWBAHLWGPPS-ZYHUDNBSSA-N -1 3 378.476 -0.732 20 0 GBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCN1C(=O)CCCC1=O ZINC000608590863 530288122 /nfs/dbraw/zinc/28/81/22/530288122.db2.gz OBKWLFZRYUFKOD-UHFFFAOYSA-N -1 3 387.190 -0.633 20 0 GBADHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]CCCN1CCCS1(=O)=O ZINC000608781605 530076404 /nfs/dbraw/zinc/07/64/04/530076404.db2.gz WZLKXGYGGLYSGI-UHFFFAOYSA-N -1 3 396.512 -0.206 20 0 GBADHM COC(=O)CSCCNC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000609230798 530083223 /nfs/dbraw/zinc/08/32/23/530083223.db2.gz VXNHMOKHCCEPIL-UHFFFAOYSA-N -1 3 378.476 -0.581 20 0 GBADHM COC(=O)CSCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000609232552 530083143 /nfs/dbraw/zinc/08/31/43/530083143.db2.gz BXOIJYHXFFUHST-VIFPVBQESA-N -1 3 379.460 -0.019 20 0 GBADHM COC(=O)C[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC ZINC000609514855 530270318 /nfs/dbraw/zinc/27/03/18/530270318.db2.gz MLMJXVWNVIRIHW-SSDOTTSWSA-N -1 3 398.846 -0.099 20 0 GBADHM COC(=O)C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC ZINC000609514856 530270494 /nfs/dbraw/zinc/27/04/94/530270494.db2.gz MLMJXVWNVIRIHW-ZETCQYMHSA-N -1 3 398.846 -0.099 20 0 GBADHM COC(=O)CCSCCNC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000609611542 530297024 /nfs/dbraw/zinc/29/70/24/530297024.db2.gz FBCCBSQZQUSOKK-UHFFFAOYSA-N -1 3 378.476 -0.581 20 0 GBADHM COC(=O)Cc1nc(NC(=O)CSc2nnnn2CC(F)(F)F)n[n-]1 ZINC000609880124 530299812 /nfs/dbraw/zinc/29/98/12/530299812.db2.gz YVVINBBADXZLRV-UHFFFAOYSA-N -1 3 380.312 -0.200 20 0 GBADHM COC(=O)Cc1nnc(NC(=O)CSc2nnnn2CC(F)(F)F)[n-]1 ZINC000609880124 530299809 /nfs/dbraw/zinc/29/98/09/530299809.db2.gz YVVINBBADXZLRV-UHFFFAOYSA-N -1 3 380.312 -0.200 20 0 GBADHM COC(=O)Cc1n[n-]c(NC(=O)CSc2nnnn2CC(F)(F)F)n1 ZINC000609880124 530299807 /nfs/dbraw/zinc/29/98/07/530299807.db2.gz YVVINBBADXZLRV-UHFFFAOYSA-N -1 3 380.312 -0.200 20 0 GBADHM COC(=O)Cc1nc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)n[n-]1 ZINC000609880133 530299700 /nfs/dbraw/zinc/29/97/00/530299700.db2.gz ZALCKOPRCYLFFK-UHFFFAOYSA-N -1 3 387.443 -0.074 20 0 GBADHM COC(=O)Cc1nnc(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)[n-]1 ZINC000609880133 530299699 /nfs/dbraw/zinc/29/96/99/530299699.db2.gz ZALCKOPRCYLFFK-UHFFFAOYSA-N -1 3 387.443 -0.074 20 0 GBADHM COC(=O)Cc1n[n-]c(NC(=O)c2ccc(CCNS(C)(=O)=O)s2)n1 ZINC000609880133 530299695 /nfs/dbraw/zinc/29/96/95/530299695.db2.gz ZALCKOPRCYLFFK-UHFFFAOYSA-N -1 3 387.443 -0.074 20 0 GBADHM CCOC(=O)CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000610210665 530327338 /nfs/dbraw/zinc/32/73/38/530327338.db2.gz IVSSWJRNPYMYDM-UHFFFAOYSA-N -1 3 391.471 -0.316 20 0 GBADHM COC(=O)CCNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000610210800 530327375 /nfs/dbraw/zinc/32/73/75/530327375.db2.gz VGGTVFBTZXSGGT-UHFFFAOYSA-N -1 3 377.444 -0.658 20 0 GBADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000610269691 1072293670 /nfs/dbraw/zinc/29/36/70/1072293670.db2.gz GGDYUOJINJDRBZ-BNOWGMLFSA-N -1 3 399.473 -0.224 20 0 GBADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000610269692 1072293548 /nfs/dbraw/zinc/29/35/48/1072293548.db2.gz GGDYUOJINJDRBZ-UBHSHLNASA-N -1 3 399.473 -0.224 20 0 GBADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000610269693 1072293868 /nfs/dbraw/zinc/29/38/68/1072293868.db2.gz GGDYUOJINJDRBZ-XBFCOCLRSA-N -1 3 399.473 -0.224 20 0 GBADHM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000610269694 1072293610 /nfs/dbraw/zinc/29/36/10/1072293610.db2.gz GGDYUOJINJDRBZ-YUTCNCBUSA-N -1 3 399.473 -0.224 20 0 GBADHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N(C)CCN1CCCS1(=O)=O ZINC000610589768 530343429 /nfs/dbraw/zinc/34/34/29/530343429.db2.gz GISCAKPMCOXQIB-UHFFFAOYSA-N -1 3 380.448 -0.758 20 0 GBADHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N(C)CCN1CCCS1(=O)=O ZINC000610589768 530343428 /nfs/dbraw/zinc/34/34/28/530343428.db2.gz GISCAKPMCOXQIB-UHFFFAOYSA-N -1 3 380.448 -0.758 20 0 GBADHM COC(=O)c1ccsc1[N-]C(=O)C(=O)N(C)CCN1CCCS1(=O)=O ZINC000610607259 530343924 /nfs/dbraw/zinc/34/39/24/530343924.db2.gz HADFQOPOCOLMED-UHFFFAOYSA-N -1 3 389.455 -0.033 20 0 GBADHM CCOC(=O)c1sc(C[N-]S(=O)(=O)CCNS(=O)(=O)CC)nc1C ZINC000610679347 530343872 /nfs/dbraw/zinc/34/38/72/530343872.db2.gz CEZHCGFHIYLWHP-UHFFFAOYSA-N -1 3 399.516 -0.013 20 0 GBADHM COC(=O)C1([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)CCS(=O)(=O)CC1 ZINC000610701822 530344454 /nfs/dbraw/zinc/34/44/54/530344454.db2.gz BMDDHSGNZMPCDF-UHFFFAOYSA-N -1 3 379.460 -0.068 20 0 GBADHM COC(=O)[C@@H](COC(C)C)N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000610839086 530345262 /nfs/dbraw/zinc/34/52/62/530345262.db2.gz WKNZOHRMJJBWKB-LLVKDONJSA-N -1 3 376.435 -0.877 20 0 GBADHM COC(=O)[C@H](COC(C)C)N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000610839088 530345238 /nfs/dbraw/zinc/34/52/38/530345238.db2.gz WKNZOHRMJJBWKB-NSHDSACASA-N -1 3 376.435 -0.877 20 0 GBADHM CCOC(=O)c1nnc([N-]C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)s1 ZINC000610871666 1072269140 /nfs/dbraw/zinc/26/91/40/1072269140.db2.gz GGEMIMMKWDYZAH-UHFFFAOYSA-N -1 3 390.381 -0.087 20 0 GBADHM COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C2(C(N)=O)CCOCC2)s1 ZINC000610898510 530345570 /nfs/dbraw/zinc/34/55/70/530345570.db2.gz FNOGRGMAWNKMRC-UHFFFAOYSA-N -1 3 378.428 -0.144 20 0 GBADHM CCOC[C@H](C(=O)OC)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000610942020 1073921875 /nfs/dbraw/zinc/92/18/75/1073921875.db2.gz KMGKDCZREOSYJX-CMPLNLGQSA-N -1 3 391.446 -0.005 20 0 GBADHM CCOC[C@@H](C(=O)OC)N(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000610942025 1072272756 /nfs/dbraw/zinc/27/27/56/1072272756.db2.gz KMGKDCZREOSYJX-JQWIXIFHSA-N -1 3 391.446 -0.005 20 0 GBADHM CCOC[C@H](C(=O)OC)N(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000610944337 530345669 /nfs/dbraw/zinc/34/56/69/530345669.db2.gz YQNWLTWLEHEFLK-SECBINFHSA-N -1 3 392.206 -0.252 20 0 GBADHM CCOC[C@@H](C(=O)OC)N(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000610944338 530345690 /nfs/dbraw/zinc/34/56/90/530345690.db2.gz YQNWLTWLEHEFLK-VIFPVBQESA-N -1 3 392.206 -0.252 20 0 GBADHM CCOC[C@H](C(=O)OC)N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000610944361 530345592 /nfs/dbraw/zinc/34/55/92/530345592.db2.gz ZFCRSUJRFRLHCF-LLVKDONJSA-N -1 3 376.435 -0.957 20 0 GBADHM CCOC[C@@H](C(=O)OC)N(C)C(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000610944362 530345747 /nfs/dbraw/zinc/34/57/47/530345747.db2.gz ZFCRSUJRFRLHCF-NSHDSACASA-N -1 3 376.435 -0.957 20 0 GBADHM COC(=O)c1nscc1S(=O)(=O)[N-]CCCN1CCCS1(=O)=O ZINC000611016782 530346179 /nfs/dbraw/zinc/34/61/79/530346179.db2.gz QYKNJALMOXVNSJ-UHFFFAOYSA-N -1 3 383.473 -0.366 20 0 GBADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC)C(=O)OC ZINC000611144246 530347540 /nfs/dbraw/zinc/34/75/40/530347540.db2.gz VGHHVWRBZFBGKL-JTQLQIEISA-N -1 3 377.346 -0.005 20 0 GBADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC)C(=O)OC ZINC000611144247 530347709 /nfs/dbraw/zinc/34/77/09/530347709.db2.gz VGHHVWRBZFBGKL-SNVBAGLBSA-N -1 3 377.346 -0.005 20 0 GBADHM COC(=O)c1cc(S(=O)(=O)[N-]CCc2nnnn2C)c(C(=O)OC)s1 ZINC000611314368 530351978 /nfs/dbraw/zinc/35/19/78/530351978.db2.gz WJBRRNWXWDDLKH-UHFFFAOYSA-N -1 3 389.415 -0.634 20 0 GBADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CO)C(=O)OC)c(OC)c1 ZINC000611407815 530352978 /nfs/dbraw/zinc/35/29/78/530352978.db2.gz AYQCSSXTWJIRDH-SNVBAGLBSA-N -1 3 396.443 -0.731 20 0 GBADHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)OC ZINC000611770190 530354111 /nfs/dbraw/zinc/35/41/11/530354111.db2.gz KIYMRLHJBYUBLS-LLVKDONJSA-N -1 3 377.346 -0.005 20 0 GBADHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)OC ZINC000611770192 530354076 /nfs/dbraw/zinc/35/40/76/530354076.db2.gz KIYMRLHJBYUBLS-NSHDSACASA-N -1 3 377.346 -0.005 20 0 GBADHM CCOC(=O)[C@@H](CO)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000611862916 530354459 /nfs/dbraw/zinc/35/44/59/530354459.db2.gz RNBJCNAQCTZKJM-GFCCVEGCSA-N -1 3 380.369 -0.327 20 0 GBADHM CCOC(=O)[C@H](CO)NC(=O)CC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000611862923 530354526 /nfs/dbraw/zinc/35/45/26/530354526.db2.gz RNBJCNAQCTZKJM-LBPRGKRZSA-N -1 3 380.369 -0.327 20 0 GBADHM NS(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000612376987 1072812461 /nfs/dbraw/zinc/81/24/61/1072812461.db2.gz LRGPRLOXWVGDJK-AWEZNQCLSA-N -1 3 396.469 -0.408 20 0 GBADHM NS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1 ZINC000612376988 1072812450 /nfs/dbraw/zinc/81/24/50/1072812450.db2.gz LRGPRLOXWVGDJK-CQSZACIVSA-N -1 3 396.469 -0.408 20 0 GBADHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 ZINC000612377761 1072813408 /nfs/dbraw/zinc/81/34/08/1072813408.db2.gz QSMBNMSEKDGAGQ-UHFFFAOYSA-N 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-1 3 375.472 -0.354 20 0 GBADHM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821393 1073921107 /nfs/dbraw/zinc/92/11/07/1073921107.db2.gz HVHKLPMXHVYQTQ-NEPJUHHUSA-N -1 3 393.444 -0.101 20 0 GBADHM CC(=O)NCCNC(=O)CCC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821394 1073921225 /nfs/dbraw/zinc/92/12/25/1073921225.db2.gz HVHKLPMXHVYQTQ-NWDGAFQWSA-N -1 3 393.444 -0.101 20 0 GBADHM CC(=O)NCCNC(=O)CCC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821395 1073921089 /nfs/dbraw/zinc/92/10/89/1073921089.db2.gz HVHKLPMXHVYQTQ-RYUDHWBXSA-N -1 3 393.444 -0.101 20 0 GBADHM CC(=O)NCCNC(=O)CCC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614821396 1073921316 /nfs/dbraw/zinc/92/13/16/1073921316.db2.gz HVHKLPMXHVYQTQ-VXGBXAGGSA-N -1 3 393.444 -0.101 20 0 GBADHM C[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822843 1073922445 /nfs/dbraw/zinc/92/24/45/1073922445.db2.gz NIQKSKVGSOYLQJ-NXEZZACHSA-N -1 3 396.429 -0.589 20 0 GBADHM C[C@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822845 1073922250 /nfs/dbraw/zinc/92/22/50/1073922250.db2.gz NIQKSKVGSOYLQJ-UWVGGRQHSA-N -1 3 396.429 -0.589 20 0 GBADHM C[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822848 1073922302 /nfs/dbraw/zinc/92/23/02/1073922302.db2.gz NIQKSKVGSOYLQJ-VHSXEESVSA-N -1 3 396.429 -0.589 20 0 GBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000614822849 1073922117 /nfs/dbraw/zinc/92/21/17/1073922117.db2.gz NIQKSKVGSOYLQJ-ZJUUUORDSA-N -1 3 396.429 -0.589 20 0 GBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000614822918 1073922275 /nfs/dbraw/zinc/92/22/75/1073922275.db2.gz OBGCPIOMCMKJBV-BDAKNGLRSA-N -1 3 377.357 -0.713 20 0 GBADHM C[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822919 1073922092 /nfs/dbraw/zinc/92/20/92/1073922092.db2.gz OBGCPIOMCMKJBV-DTWKUNHWSA-N -1 3 377.357 -0.713 20 0 GBADHM C[C@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822920 1073922259 /nfs/dbraw/zinc/92/22/59/1073922259.db2.gz OBGCPIOMCMKJBV-IUCAKERBSA-N -1 3 377.357 -0.713 20 0 GBADHM C[C@@H](NC(=O)CN1C(=O)C(=O)N(C)C1=O)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614822921 1073922213 /nfs/dbraw/zinc/92/22/13/1073922213.db2.gz OBGCPIOMCMKJBV-RKDXNWHRSA-N -1 3 377.357 -0.713 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823912 1073923176 /nfs/dbraw/zinc/92/31/76/1073923176.db2.gz CTROUAKGRDYIPA-GHMZBOCLSA-N -1 3 387.462 -0.395 20 0 GBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CN(C)S(=O)(=O)N(C)C ZINC000614823917 1073923039 /nfs/dbraw/zinc/92/30/39/1073923039.db2.gz CTROUAKGRDYIPA-MNOVXSKESA-N -1 3 387.462 -0.395 20 0 GBADHM C[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823919 1073923272 /nfs/dbraw/zinc/92/32/72/1073923272.db2.gz CTROUAKGRDYIPA-QWRGUYRKSA-N -1 3 387.462 -0.395 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823921 1073923227 /nfs/dbraw/zinc/92/32/27/1073923227.db2.gz CTROUAKGRDYIPA-WDEREUQCSA-N -1 3 387.462 -0.395 20 0 GBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CN1CCS(=O)(=O)CC1 ZINC000614824961 1073923925 /nfs/dbraw/zinc/92/39/25/1073923925.db2.gz XNYIELGKJGHAPV-NEPJUHHUSA-N -1 3 384.458 -0.403 20 0 GBADHM C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824963 1073924192 /nfs/dbraw/zinc/92/41/92/1073924192.db2.gz XNYIELGKJGHAPV-NWDGAFQWSA-N -1 3 384.458 -0.403 20 0 GBADHM C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824965 1073924177 /nfs/dbraw/zinc/92/41/77/1073924177.db2.gz XNYIELGKJGHAPV-RYUDHWBXSA-N -1 3 384.458 -0.403 20 0 GBADHM C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614824967 1073923918 /nfs/dbraw/zinc/92/39/18/1073923918.db2.gz XNYIELGKJGHAPV-VXGBXAGGSA-N -1 3 384.458 -0.403 20 0 GBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 ZINC000614827221 1073941994 /nfs/dbraw/zinc/94/19/94/1073941994.db2.gz ZGKZATRONPBZJO-GRYCIOLGSA-N -1 3 399.473 -0.218 20 0 GBADHM C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827222 1073942005 /nfs/dbraw/zinc/94/20/05/1073942005.db2.gz ZGKZATRONPBZJO-SDDRHHMPSA-N -1 3 399.473 -0.218 20 0 GBADHM C[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000614827223 1073941934 /nfs/dbraw/zinc/94/19/34/1073941934.db2.gz ZGKZATRONPBZJO-SRVKXCTJSA-N -1 3 399.473 -0.218 20 0 GBADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 ZINC000614827224 1073941757 /nfs/dbraw/zinc/94/17/57/1073941757.db2.gz ZGKZATRONPBZJO-WOPDTQHZSA-N -1 3 399.473 -0.218 20 0 GBADHM COc1cc(C(=O)N[C@@H](CO)CN(C)C)cc([N-]S(C)(=O)=O)c1OC ZINC000614845950 530473127 /nfs/dbraw/zinc/47/31/27/530473127.db2.gz FRKUAOYDGINGPR-LLVKDONJSA-N -1 3 375.447 -0.272 20 0 GBADHM COc1cc(C(=O)N[C@H](CO)CN(C)C)cc([N-]S(C)(=O)=O)c1OC ZINC000614845972 530473359 /nfs/dbraw/zinc/47/33/59/530473359.db2.gz FRKUAOYDGINGPR-NSHDSACASA-N -1 3 375.447 -0.272 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000615352144 530497779 /nfs/dbraw/zinc/49/77/79/530497779.db2.gz ZZXXLAWXANYYED-JTQLQIEISA-N -1 3 395.528 -0.045 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(NS(C)(=O)=O)CC1 ZINC000615352145 530497639 /nfs/dbraw/zinc/49/76/39/530497639.db2.gz ZZXXLAWXANYYED-SNVBAGLBSA-N -1 3 395.528 -0.045 20 0 GBADHM C[N-]S(=O)(=O)c1ccc(CNC(=O)CCSc2nnnn2C)s1 ZINC000615402622 530509986 /nfs/dbraw/zinc/50/99/86/530509986.db2.gz NTJLSSMJRQGODQ-UHFFFAOYSA-N -1 3 376.489 -0.022 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000615403899 530509766 /nfs/dbraw/zinc/50/97/66/530509766.db2.gz YADJEHNPKWZIQX-JTQLQIEISA-N -1 3 395.528 -0.045 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000615403900 530509734 /nfs/dbraw/zinc/50/97/34/530509734.db2.gz YADJEHNPKWZIQX-SNVBAGLBSA-N -1 3 395.528 -0.045 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cn1 ZINC000615406328 530509707 /nfs/dbraw/zinc/50/97/07/530509707.db2.gz IUCFFAYWFIBOSM-UHFFFAOYSA-N -1 3 387.443 -0.291 20 0 GBADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CC(O)(CO)C1 ZINC000615427848 530104182 /nfs/dbraw/zinc/10/41/82/530104182.db2.gz UGVOVYILBAJCOH-UHFFFAOYSA-N -1 3 385.261 -0.646 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N2CCOCCN2)s1 ZINC000615493195 530105959 /nfs/dbraw/zinc/10/59/59/530105959.db2.gz OCNMVXDOZZWLRQ-UHFFFAOYSA-N -1 3 376.460 -0.974 20 0 GBADHM NS(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000615671791 530106182 /nfs/dbraw/zinc/10/61/82/530106182.db2.gz ATSMCQXMRYXARL-UHFFFAOYSA-N -1 3 384.439 -0.677 20 0 GBADHM O=C(CN1CCCS1(=O)=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000615739649 530106486 /nfs/dbraw/zinc/10/64/86/530106486.db2.gz KRPUVZXEBSCANT-UHFFFAOYSA-N -1 3 389.455 -0.094 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCC(=O)NCC(F)(F)F ZINC000615760662 530107030 /nfs/dbraw/zinc/10/70/30/530107030.db2.gz LTRQTCGLLKBKGQ-ZETCQYMHSA-N -1 3 386.352 -0.247 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)cn1C ZINC000615777501 530106792 /nfs/dbraw/zinc/10/67/92/530106792.db2.gz ZAESBRSZGMMLGG-GFCCVEGCSA-N -1 3 390.487 -0.958 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)cn1C ZINC000615777503 530107004 /nfs/dbraw/zinc/10/70/04/530107004.db2.gz ZAESBRSZGMMLGG-LBPRGKRZSA-N -1 3 390.487 -0.958 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)N2CCN(c3ncns3)CC2)cn1C ZINC000615803648 530107154 /nfs/dbraw/zinc/10/71/54/530107154.db2.gz DCMZRSFJQSPTFZ-UHFFFAOYSA-N -1 3 385.475 -0.793 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000615843187 530107966 /nfs/dbraw/zinc/10/79/66/530107966.db2.gz BUTUWTCHGXCBTO-GHMZBOCLSA-N -1 3 395.528 -0.045 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000615843189 530107784 /nfs/dbraw/zinc/10/77/84/530107784.db2.gz BUTUWTCHGXCBTO-MNOVXSKESA-N -1 3 395.528 -0.045 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000615843190 530107890 /nfs/dbraw/zinc/10/78/90/530107890.db2.gz BUTUWTCHGXCBTO-QWRGUYRKSA-N -1 3 395.528 -0.045 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000615843191 530107875 /nfs/dbraw/zinc/10/78/75/530107875.db2.gz BUTUWTCHGXCBTO-WDEREUQCSA-N -1 3 395.528 -0.045 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCN(C)S(C)(=O)=O ZINC000615859665 530108099 /nfs/dbraw/zinc/10/80/99/530108099.db2.gz BBJQEOAQTYTVAJ-JTQLQIEISA-N -1 3 383.517 -0.187 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCN(C)S(C)(=O)=O ZINC000615859666 530107803 /nfs/dbraw/zinc/10/78/03/530107803.db2.gz BBJQEOAQTYTVAJ-SNVBAGLBSA-N -1 3 383.517 -0.187 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c(C)o1 ZINC000615946649 530109409 /nfs/dbraw/zinc/10/94/09/530109409.db2.gz UTXKRZYKEQDLJZ-JTQLQIEISA-N -1 3 394.475 -0.716 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c(C)o1 ZINC000615946653 530109170 /nfs/dbraw/zinc/10/91/70/530109170.db2.gz UTXKRZYKEQDLJZ-SNVBAGLBSA-N -1 3 394.475 -0.716 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000615949111 530109786 /nfs/dbraw/zinc/10/97/86/530109786.db2.gz LSKAWKFCBRPGGT-JTQLQIEISA-N -1 3 396.516 -0.799 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000615949112 530109534 /nfs/dbraw/zinc/10/95/34/530109534.db2.gz LSKAWKFCBRPGGT-SNVBAGLBSA-N -1 3 396.516 -0.799 20 0 GBADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cc1 ZINC000615949535 530109513 /nfs/dbraw/zinc/10/95/13/530109513.db2.gz VYFJMPSUWVNEFS-CYBMUJFWSA-N -1 3 390.487 -0.154 20 0 GBADHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1 ZINC000615949536 530109663 /nfs/dbraw/zinc/10/96/63/530109663.db2.gz VYFJMPSUWVNEFS-ZDUSSCGKSA-N -1 3 390.487 -0.154 20 0 GBADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N[C@H]1CCNC1=O ZINC000616965919 530152361 /nfs/dbraw/zinc/15/23/61/530152361.db2.gz FIEKUTMSUZAEHF-LURJTMIESA-N -1 3 382.261 -0.206 20 0 GBADHM CO[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@@H]1CCOC1 ZINC000617150920 530194475 /nfs/dbraw/zinc/19/44/75/530194475.db2.gz QZBZWCSYGISZEU-PSASIEDQSA-N -1 3 376.207 -0.121 20 0 GBADHM CO[C@@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@@H]1CCOC1 ZINC000617150921 530194461 /nfs/dbraw/zinc/19/44/61/530194461.db2.gz QZBZWCSYGISZEU-SCZZXKLOSA-N -1 3 376.207 -0.121 20 0 GBADHM CO[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@H]1CCOC1 ZINC000617150922 530194562 /nfs/dbraw/zinc/19/45/62/530194562.db2.gz QZBZWCSYGISZEU-WCBMZHEXSA-N -1 3 376.207 -0.121 20 0 GBADHM CO[C@@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@H]1CCOC1 ZINC000617150923 530194572 /nfs/dbraw/zinc/19/45/72/530194572.db2.gz QZBZWCSYGISZEU-WPRPVWTQSA-N -1 3 376.207 -0.121 20 0 GBADHM C[N-]S(=O)(=O)c1ccc(C(=O)NCCC2(CS(C)(=O)=O)CC2)cn1 ZINC000617181104 530196869 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378.433 -0.547 20 0 GBADHM COCC1(CS(=O)(=O)[N-][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CCC1 ZINC000651543205 530151628 /nfs/dbraw/zinc/15/16/28/530151628.db2.gz LYYFPHOBYMNBTM-KBPBESRZSA-N -1 3 396.531 -0.780 20 0 GBADHM COCC1(CS(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CCC1 ZINC000651543206 530151700 /nfs/dbraw/zinc/15/17/00/530151700.db2.gz LYYFPHOBYMNBTM-KGLIPLIRSA-N -1 3 396.531 -0.780 20 0 GBADHM COCC1(CS(=O)(=O)[N-][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CCC1 ZINC000651543207 530151769 /nfs/dbraw/zinc/15/17/69/530151769.db2.gz LYYFPHOBYMNBTM-UONOGXRCSA-N -1 3 396.531 -0.780 20 0 GBADHM COCC1(CS(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CCC1 ZINC000651543208 530151558 /nfs/dbraw/zinc/15/15/58/530151558.db2.gz LYYFPHOBYMNBTM-ZIAGYGMSSA-N -1 3 396.531 -0.780 20 0 GBADHM COC1(CS(=O)(=O)[N-]CCS(=O)(=O)NCC2CCC2)CCOCC1 ZINC000651555528 530153145 /nfs/dbraw/zinc/15/31/45/530153145.db2.gz RZUZGPLVZLXHPT-UHFFFAOYSA-N -1 3 384.520 -0.179 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCS(=O)(=O)N1 ZINC000651563284 530153659 /nfs/dbraw/zinc/15/36/59/530153659.db2.gz PJNHSWBPMODWDE-SSDOTTSWSA-N -1 3 387.892 -0.512 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCS(=O)(=O)N1 ZINC000651563285 530153451 /nfs/dbraw/zinc/15/34/51/530153451.db2.gz PJNHSWBPMODWDE-ZETCQYMHSA-N -1 3 387.892 -0.512 20 0 GBADHM O=S(=O)([N-]CCNS(=O)(=O)N1CCCOCC1)c1ccc(F)cc1F ZINC000651688560 530160214 /nfs/dbraw/zinc/16/02/14/530160214.db2.gz OAWYNRKZXJVURM-UHFFFAOYSA-N -1 3 399.441 -0.200 20 0 GBADHM COCCN(CCOC)C1CCN(C(=O)C(=O)N=c2ncn(C(C)C)[n-]2)CC1 ZINC000651797317 1073425472 /nfs/dbraw/zinc/42/54/72/1073425472.db2.gz KAMJDNGFPWNWMV-UHFFFAOYSA-N -1 3 396.492 -0.195 20 0 GBADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)cn1 ZINC000651803450 530164026 /nfs/dbraw/zinc/16/40/26/530164026.db2.gz UVNPTKSAFYBNNN-UHFFFAOYSA-N -1 3 384.439 -0.174 20 0 GBADHM Cc1c(S(=O)(=O)[N-][C@H]2CCN(S(C)(=O)=O)C2)coc1C(=O)N(C)C ZINC000651815003 530163521 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PZCNCJIGNBEYIY-AOOOYVTPSA-N -1 3 395.528 -0.228 20 0 GBADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(OC)c1 ZINC000651837468 530164590 /nfs/dbraw/zinc/16/45/90/530164590.db2.gz FDWSFBYHMHTVEC-JGZJWPJOSA-N -1 3 391.471 -0.001 20 0 GBADHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@]1(O)CCOC1 ZINC000651839448 530164797 /nfs/dbraw/zinc/16/47/97/530164797.db2.gz GORYRJJEQADSEL-AWEZNQCLSA-N -1 3 378.472 -0.243 20 0 GBADHM CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]CC[C@@]1(O)CCOC1 ZINC000651839449 530164920 /nfs/dbraw/zinc/16/49/20/530164920.db2.gz GORYRJJEQADSEL-CQSZACIVSA-N -1 3 378.472 -0.243 20 0 GBADHM NS(=O)(=O)c1ccc(F)c(C[N-]S(=O)(=O)c2cnn3c2OCCC3)c1 ZINC000651847470 530165572 /nfs/dbraw/zinc/16/55/72/530165572.db2.gz HDHNJJAFFZIUPP-UHFFFAOYSA-N -1 3 390.418 -0.069 20 0 GBADHM COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000651848736 530165477 /nfs/dbraw/zinc/16/54/77/530165477.db2.gz DSFLLOXWXXOTAD-CHWSQXEVSA-N -1 3 390.483 -0.102 20 0 GBADHM COC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000651848776 530165281 /nfs/dbraw/zinc/16/52/81/530165281.db2.gz GJMLNODTWFSJKY-NXEZZACHSA-N -1 3 382.435 -0.033 20 0 GBADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](O)C[C@@H]1COC ZINC000651849039 530165153 /nfs/dbraw/zinc/16/51/53/530165153.db2.gz RNRIHTGQBOUOKZ-VXGBXAGGSA-N -1 3 378.472 -0.245 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000651882219 530169538 /nfs/dbraw/zinc/16/95/38/530169538.db2.gz HACARYJDSLQAEL-GFCCVEGCSA-N -1 3 375.472 -0.966 20 0 GBADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000651882421 530169462 /nfs/dbraw/zinc/16/94/62/530169462.db2.gz OLGRTMZIPAUEGG-SNVBAGLBSA-N -1 3 384.849 -0.040 20 0 GBADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000651882421 530169461 /nfs/dbraw/zinc/16/94/61/530169461.db2.gz OLGRTMZIPAUEGG-SNVBAGLBSA-N -1 3 384.849 -0.040 20 0 GBADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000651882492 530169138 /nfs/dbraw/zinc/16/91/38/530169138.db2.gz RWTFKUGSHVXMKI-CYBMUJFWSA-N -1 3 389.499 -0.576 20 0 GBADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1F ZINC000651882678 530169228 /nfs/dbraw/zinc/16/92/28/530169228.db2.gz YAQCZKYCGUDABI-LLVKDONJSA-N -1 3 393.462 -0.363 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CCS(=O)(=O)N1 ZINC000651993785 530107903 /nfs/dbraw/zinc/10/79/03/530107903.db2.gz BNYCDSDUWPIBCI-JTQLQIEISA-N -1 3 399.853 -0.435 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CCS(=O)(=O)N1 ZINC000651993786 530107842 /nfs/dbraw/zinc/10/78/42/530107842.db2.gz BNYCDSDUWPIBCI-SNVBAGLBSA-N -1 3 399.853 -0.435 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)N1 ZINC000651993869 530107984 /nfs/dbraw/zinc/10/79/84/530107984.db2.gz KKYWBMDOLOLHPC-JTQLQIEISA-N -1 3 383.398 -0.949 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1CCS(=O)(=O)N1 ZINC000651993870 530107752 /nfs/dbraw/zinc/10/77/52/530107752.db2.gz KKYWBMDOLOLHPC-SNVBAGLBSA-N -1 3 383.398 -0.949 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)N1 ZINC000652003403 530119481 /nfs/dbraw/zinc/11/94/81/530119481.db2.gz RIDSHVPWYIWLPE-JTQLQIEISA-N -1 3 399.853 -0.435 20 0 GBADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)N1 ZINC000652003404 530119562 /nfs/dbraw/zinc/11/95/62/530119562.db2.gz RIDSHVPWYIWLPE-SNVBAGLBSA-N -1 3 399.853 -0.435 20 0 GBADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C(N)=O)C2)cc1OC ZINC000652020188 1073306727 /nfs/dbraw/zinc/30/67/27/1073306727.db2.gz NUKMWBBSXYKVPE-JGZJWPJOSA-N -1 3 398.441 -0.225 20 0 GBADHM Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@H]2CCc3nc(N)sc3C2)cn1C ZINC000652070053 530148955 /nfs/dbraw/zinc/14/89/55/530148955.db2.gz GSZVURHLZJNMBH-VIFPVBQESA-N -1 3 384.487 -0.450 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCC(C)(CO)CO)CCCC1 ZINC000652348213 1073502552 /nfs/dbraw/zinc/50/25/52/1073502552.db2.gz XRSNDAUYMUOSHX-UHFFFAOYSA-N -1 3 389.474 -0.010 20 0 GBADHM CN(CCN1CCCCC1)C(=O)C(=O)N1CCN(c2nc(=N)[n-]s2)CC1 ZINC000652477395 1073524936 /nfs/dbraw/zinc/52/49/36/1073524936.db2.gz XDVPRJCOZTUHKK-UHFFFAOYSA-N -1 3 381.506 -0.456 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000652766204 530274231 /nfs/dbraw/zinc/27/42/31/530274231.db2.gz AUATWZGOIOGMHP-GXSJLCMTSA-N -1 3 394.475 -0.892 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000652766205 530273973 /nfs/dbraw/zinc/27/39/73/530273973.db2.gz AUATWZGOIOGMHP-ONGXEEELSA-N -1 3 394.475 -0.892 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 ZINC000652766435 530276246 /nfs/dbraw/zinc/27/62/46/530276246.db2.gz RUMQZZJMEPOHPD-QWRGUYRKSA-N -1 3 393.462 -0.357 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000652766436 530275889 /nfs/dbraw/zinc/27/58/89/530275889.db2.gz RUMQZZJMEPOHPD-WDEREUQCSA-N -1 3 393.462 -0.357 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N[C@H]2C[C@@H](C(N)=O)C2)s1 ZINC000652794429 530281555 /nfs/dbraw/zinc/28/15/55/530281555.db2.gz HSFQEXLRRIDQOD-AOOOYVTPSA-N -1 3 388.471 -0.957 20 0 GBADHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652886637 530298186 /nfs/dbraw/zinc/29/81/86/530298186.db2.gz ROCWCGUFXDNONU-LLVKDONJSA-N -1 3 375.397 -0.480 20 0 GBADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC(N2CC[C@@H](O)C2)C1 ZINC000652888522 530298210 /nfs/dbraw/zinc/29/82/10/530298210.db2.gz LFMGGTZQNRDJPJ-SNVBAGLBSA-N -1 3 379.891 -0.043 20 0 GBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(Cc2nc[nH]n2)CC1 ZINC000652904394 530302056 /nfs/dbraw/zinc/30/20/56/530302056.db2.gz LGVBYOKEARPXKT-UHFFFAOYSA-N -1 3 398.221 -0.826 20 0 GBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[C@]1(O)CCCOC1 ZINC000652942794 530318656 /nfs/dbraw/zinc/31/86/56/530318656.db2.gz IRALPMACFBHAIU-CYBMUJFWSA-N -1 3 376.207 -0.241 20 0 GBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC[C@@]1(O)CCCOC1 ZINC000652942795 530318694 /nfs/dbraw/zinc/31/86/94/530318694.db2.gz IRALPMACFBHAIU-ZDUSSCGKSA-N -1 3 376.207 -0.241 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(C)[C@@H](C)CCO)s1 ZINC000652961764 530327433 /nfs/dbraw/zinc/32/74/33/530327433.db2.gz YWXFLHIITDIVBR-JTQLQIEISA-N -1 3 377.488 -0.108 20 0 GBADHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC(=O)N(C)[C@H](C)CCO)s1 ZINC000652961765 530327311 /nfs/dbraw/zinc/32/73/11/530327311.db2.gz YWXFLHIITDIVBR-SNVBAGLBSA-N -1 3 377.488 -0.108 20 0 GBADHM COCCOCCN1CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000653001471 530328562 /nfs/dbraw/zinc/32/85/62/530328562.db2.gz SXXDRBHOUACOKQ-UHFFFAOYSA-N -1 3 391.515 -0.166 20 0 GBADHM Cc1nn(CC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)c(=O)n1C ZINC000653714462 530355704 /nfs/dbraw/zinc/35/57/04/530355704.db2.gz PNKBBKASTHKVHJ-UHFFFAOYSA-N -1 3 393.878 -0.300 20 0 GBADHM CO[C@](C)(CO)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000654555417 530104147 /nfs/dbraw/zinc/10/41/47/530104147.db2.gz SFMREZYBDJNEQG-AWEZNQCLSA-N -1 3 381.401 -0.060 20 0 GBADHM CO[C@@](C)(CO)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000654555418 530104377 /nfs/dbraw/zinc/10/43/77/530104377.db2.gz SFMREZYBDJNEQG-CQSZACIVSA-N -1 3 381.401 -0.060 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@](C)(CO)OC)ccc1F ZINC000654867088 530108682 /nfs/dbraw/zinc/10/86/82/530108682.db2.gz HDLMUNBMBIDXPR-AWEZNQCLSA-N -1 3 377.394 -0.814 20 0 GBADHM C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@](C)(CO)OC)ccc1F ZINC000654867091 530108952 /nfs/dbraw/zinc/10/89/52/530108952.db2.gz HDLMUNBMBIDXPR-CQSZACIVSA-N -1 3 377.394 -0.814 20 0 GBADHM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCNS(C)(=O)=O)C2CC2)cn1 ZINC000655053541 530110480 /nfs/dbraw/zinc/11/04/80/530110480.db2.gz ZIXVAXNFSLNDEN-UHFFFAOYSA-N -1 3 376.460 -0.857 20 0 GBADHM CS(=O)(=O)NCCN(C(=O)CC[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000655053829 530110544 /nfs/dbraw/zinc/11/05/44/530110544.db2.gz SOWXQBVKVHFSIH-UHFFFAOYSA-N -1 3 395.528 -0.043 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@@H]2CC(=O)N(C)C2=O)CCCC1 ZINC000655061025 1072173737 /nfs/dbraw/zinc/17/37/37/1072173737.db2.gz JRENCYFCOSFWPG-LLVKDONJSA-N -1 3 398.441 -0.244 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H]2CC(=O)N(C)C2=O)CCCC1 ZINC000655061026 1072173291 /nfs/dbraw/zinc/17/32/91/1072173291.db2.gz JRENCYFCOSFWPG-NSHDSACASA-N -1 3 398.441 -0.244 20 0 GBADHM Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)c1 ZINC000655120902 1072180040 /nfs/dbraw/zinc/18/00/40/1072180040.db2.gz FUUOJKIXGHHQCD-TZMCWYRMSA-N -1 3 395.393 -0.171 20 0 GBADHM COCCN(C[C@@H](O)C(F)(F)F)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000655198883 530111103 /nfs/dbraw/zinc/11/11/03/530111103.db2.gz OMXVELLBIJQXQZ-SECBINFHSA-N -1 3 388.368 -0.903 20 0 GBADHM COCCN(C[C@H](O)C(F)(F)F)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000655198884 530111285 /nfs/dbraw/zinc/11/12/85/530111285.db2.gz OMXVELLBIJQXQZ-VIFPVBQESA-N -1 3 388.368 -0.903 20 0 GBADHM CO[C@](C)(CO)CNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000655214338 530073804 /nfs/dbraw/zinc/07/38/04/530073804.db2.gz YIRZUHUZKPWYDJ-AWEZNQCLSA-N -1 3 393.487 -0.824 20 0 GBADHM CO[C@@](C)(CO)CNC(=O)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000655214339 530073843 /nfs/dbraw/zinc/07/38/43/530073843.db2.gz YIRZUHUZKPWYDJ-CQSZACIVSA-N -1 3 393.487 -0.824 20 0 GBADHM CC(C)(C)n1nnc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000655252486 530079333 /nfs/dbraw/zinc/07/93/33/530079333.db2.gz WCDZFFSCJLKDSI-UHFFFAOYSA-N -1 3 386.210 -0.231 20 0 GBADHM CCC(C)(C)N1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1 ZINC000655272709 1072197615 /nfs/dbraw/zinc/19/76/15/1072197615.db2.gz XNOSAPBTUBFFFP-UHFFFAOYSA-N -1 3 386.474 -0.010 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(c2nncn2C)CC1 ZINC000655292525 1072362189 /nfs/dbraw/zinc/36/21/89/1072362189.db2.gz KWHXNBWUYLERNK-NSHDSACASA-N -1 3 397.461 -0.564 20 0 GBADHM Cn1cnnc1N1CCN(C(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000655292809 530083670 /nfs/dbraw/zinc/08/36/70/530083670.db2.gz FMEOXPPPEWCDRD-UHFFFAOYSA-N -1 3 384.487 -0.106 20 0 GBADHM Cn1cnnc1N1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000655292820 530083576 /nfs/dbraw/zinc/08/35/76/530083576.db2.gz QHCCSYPDSUQYJA-UHFFFAOYSA-N -1 3 398.221 -0.811 20 0 GBADHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(c2nncn2C)CC1 ZINC000655293446 530083658 /nfs/dbraw/zinc/08/36/58/530083658.db2.gz XACBZWGYDRJREE-LLVKDONJSA-N -1 3 384.487 -0.108 20 0 GBADHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(c2nncn2C)CC1 ZINC000655293447 530083756 /nfs/dbraw/zinc/08/37/56/530083756.db2.gz XACBZWGYDRJREE-NSHDSACASA-N -1 3 384.487 -0.108 20 0 GBADHM COc1cc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc([N-]S(C)(=O)=O)c1OC ZINC000655296778 1072202333 /nfs/dbraw/zinc/20/23/33/1072202333.db2.gz VPAOAONTMATREA-QWHCGFSZSA-N -1 3 399.469 -0.034 20 0 GBADHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299279 530084445 /nfs/dbraw/zinc/08/44/45/530084445.db2.gz YGEOEUYMNXNWAY-VHSXEESVSA-N -1 3 379.891 -0.043 20 0 GBADHM O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655299596 530084670 /nfs/dbraw/zinc/08/46/70/530084670.db2.gz TWEZXDFCQLIDEE-WDEREUQCSA-N -1 3 375.397 -0.480 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H]1CCc2c(nnn2C)C1 ZINC000655301439 1072206969 /nfs/dbraw/zinc/20/69/69/1072206969.db2.gz ITZUOMKNIMNCIS-GXSJLCMTSA-N -1 3 382.446 -0.240 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H]1CCc2c(nnn2C)C1 ZINC000655301446 1072206896 /nfs/dbraw/zinc/20/68/96/1072206896.db2.gz ITZUOMKNIMNCIS-ONGXEEELSA-N -1 3 382.446 -0.240 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCN(c2nncn2C)CC1 ZINC000655409708 1072348906 /nfs/dbraw/zinc/34/89/06/1072348906.db2.gz FIGBKLYODFLZFK-UHFFFAOYSA-N -1 3 383.434 -0.953 20 0 GBADHM COc1cccc(S(=O)(=O)[N-]CCC(=O)N[C@H]2CCS(=O)(=O)C2)c1F ZINC000655473231 530134388 /nfs/dbraw/zinc/13/43/88/530134388.db2.gz JTGVENHHIGQSKY-JTQLQIEISA-N -1 3 394.446 -0.194 20 0 GBADHM COc1cccc(S(=O)(=O)[N-]CCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1F ZINC000655473232 530134460 /nfs/dbraw/zinc/13/44/60/530134460.db2.gz JTGVENHHIGQSKY-SNVBAGLBSA-N -1 3 394.446 -0.194 20 0 GBADHM COc1cccc(S(=O)(=O)[N-]CCN2CCN(S(C)(=O)=O)CC2)c1F ZINC000655482715 530138503 /nfs/dbraw/zinc/13/85/03/530138503.db2.gz XWKUMCSYQXWLTL-UHFFFAOYSA-N -1 3 395.478 -0.310 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H]1CCc2ccccc2NC1=O ZINC000655628599 530281936 /nfs/dbraw/zinc/28/19/36/530281936.db2.gz ODXMEGFEXFJELM-CYBMUJFWSA-N -1 3 375.472 -0.201 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H]1CCc2ccccc2NC1=O ZINC000655628600 530281790 /nfs/dbraw/zinc/28/17/90/530281790.db2.gz ODXMEGFEXFJELM-ZDUSSCGKSA-N -1 3 375.472 -0.201 20 0 GBADHM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1nnn(C(C)(C)C)n1 ZINC000655637167 530282651 /nfs/dbraw/zinc/28/26/51/530282651.db2.gz PNAPXJILWCGXJC-UHFFFAOYSA-N -1 3 388.475 -0.185 20 0 GBADHM CC(C)(C)n1nnc(C[N-]S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)n1 ZINC000655637270 530282816 /nfs/dbraw/zinc/28/28/16/530282816.db2.gz VXUKYNSREYAFAX-UHFFFAOYSA-N -1 3 394.523 -0.481 20 0 GBADHM O=S(=O)(c1ccc(Cl)c(-c2nn[n-]n2)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655648037 530283091 /nfs/dbraw/zinc/28/30/91/530283091.db2.gz DUKCJVHOUGYBOS-VHSXEESVSA-N -1 3 384.849 -0.040 20 0 GBADHM O=S(=O)(c1ccc(Cl)c(-c2nnn[n-]2)c1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655648037 530283089 /nfs/dbraw/zinc/28/30/89/530283089.db2.gz DUKCJVHOUGYBOS-VHSXEESVSA-N -1 3 384.849 -0.040 20 0 GBADHM CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655648420 530283080 /nfs/dbraw/zinc/28/30/80/530283080.db2.gz QHBZKZWGYQZWIX-QWHCGFSZSA-N -1 3 389.499 -0.576 20 0 GBADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1F ZINC000655648460 530282996 /nfs/dbraw/zinc/28/29/96/530282996.db2.gz RWMUPDBRKCPWAT-WDEREUQCSA-N -1 3 393.462 -0.363 20 0 GBADHM C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655648674 530283009 /nfs/dbraw/zinc/28/30/09/530283009.db2.gz WEWBARKKRMEUDF-NWDGAFQWSA-N -1 3 375.472 -0.966 20 0 GBADHM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)[O-] ZINC000656011455 1072369147 /nfs/dbraw/zinc/36/91/47/1072369147.db2.gz LAMLDTQHTFNKFH-AWEZNQCLSA-N -1 3 382.461 -0.774 20 0 GBADHM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)[O-] ZINC000656011457 1072368839 /nfs/dbraw/zinc/36/88/39/1072368839.db2.gz LAMLDTQHTFNKFH-CQSZACIVSA-N -1 3 382.461 -0.774 20 0 GBADHM CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)[O-] ZINC000656014856 1072372316 /nfs/dbraw/zinc/37/23/16/1072372316.db2.gz WWZADAXQSCIFNB-UONOGXRCSA-N -1 3 382.461 -0.776 20 0 GBADHM CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)[O-] ZINC000656014858 1072372358 /nfs/dbraw/zinc/37/23/58/1072372358.db2.gz WWZADAXQSCIFNB-ZIAGYGMSSA-N -1 3 382.461 -0.776 20 0 GBADHM COc1cccc(S(=O)(=O)[N-]CC(=O)NCCN2CCOCC2)c1F ZINC000656183287 530115661 /nfs/dbraw/zinc/11/56/61/530115661.db2.gz SJPNZUOYXFOKCF-UHFFFAOYSA-N -1 3 375.422 -0.439 20 0 GBADHM Cn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)F)cc2)nn1 ZINC000656286397 530116173 /nfs/dbraw/zinc/11/61/73/530116173.db2.gz NBUIYQHNXHPFDS-UHFFFAOYSA-N -1 3 395.413 -0.163 20 0 GBADHM COC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000656363802 530117024 /nfs/dbraw/zinc/11/70/24/530117024.db2.gz SANNBTACZXWCLO-SECBINFHSA-N -1 3 388.414 -0.484 20 0 GBADHM CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1)C(N)=O ZINC000656364950 530116870 /nfs/dbraw/zinc/11/68/70/530116870.db2.gz BDFMGXREIGCXKM-SNVBAGLBSA-N -1 3 385.414 -0.228 20 0 GBADHM CCNC(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000656365049 530117045 /nfs/dbraw/zinc/11/70/45/530117045.db2.gz FQRTYHQRYPIIGT-UHFFFAOYSA-N -1 3 385.414 -0.356 20 0 GBADHM NC(=O)C1(NS(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)F)cc2)CCC1 ZINC000656365116 530116902 /nfs/dbraw/zinc/11/69/02/530116902.db2.gz BKINHUHRRJATHO-UHFFFAOYSA-N -1 3 397.425 -0.084 20 0 GBADHM CCNC(=O)CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)F)cc1 ZINC000656365355 530117103 /nfs/dbraw/zinc/11/71/03/530117103.db2.gz ZZFCREYPAYSCMR-UHFFFAOYSA-N -1 3 399.441 -0.013 20 0 GBADHM NC(=O)[C@H]1C[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)F)cc2)C1 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-0.780 20 0 GBADHM CC(=O)NCCNC(=O)CCC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735473165 599244844 /nfs/dbraw/zinc/24/48/44/599244844.db2.gz FPJOUPSIDJDBEC-UHFFFAOYSA-N -1 3 389.416 -0.606 20 0 GBADHM CC(=O)NCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000735473293 598563438 /nfs/dbraw/zinc/56/34/38/598563438.db2.gz HCIFQIRZUBVQKQ-UHFFFAOYSA-N -1 3 383.315 -0.341 20 0 GBADHM CC(=O)NCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000735473293 598563436 /nfs/dbraw/zinc/56/34/36/598563436.db2.gz HCIFQIRZUBVQKQ-UHFFFAOYSA-N -1 3 383.315 -0.341 20 0 GBADHM CC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CCO1 ZINC000735473523 599006396 /nfs/dbraw/zinc/00/63/96/599006396.db2.gz IUSJTVLQIBZIGQ-CYBMUJFWSA-N -1 3 380.430 -0.299 20 0 GBADHM CC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)CCO1 ZINC000735473523 599006394 /nfs/dbraw/zinc/00/63/94/599006394.db2.gz IUSJTVLQIBZIGQ-CYBMUJFWSA-N -1 3 380.430 -0.299 20 0 GBADHM CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)CCO1 ZINC000735473524 599005986 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ZINC000735473716 598296847 /nfs/dbraw/zinc/29/68/47/598296847.db2.gz DCQXGLXPEVFKMM-CQSZACIVSA-N -1 3 389.391 -0.251 20 0 GBADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735473717 598651227 /nfs/dbraw/zinc/65/12/27/598651227.db2.gz DDARSVGRJGHGDS-HNNXBMFYSA-N -1 3 385.428 -0.048 20 0 GBADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735473717 598651226 /nfs/dbraw/zinc/65/12/26/598651226.db2.gz DDARSVGRJGHGDS-HNNXBMFYSA-N -1 3 385.428 -0.048 20 0 GBADHM CC(=O)NCCNC(=O)CCC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735473927 598721307 /nfs/dbraw/zinc/72/13/07/598721307.db2.gz LNJZCTXBGNSBIN-UHFFFAOYSA-N -1 3 377.380 -0.346 20 0 GBADHM CC(=O)NCCNC(=O)CCC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735473927 598721306 /nfs/dbraw/zinc/72/13/06/598721306.db2.gz LNJZCTXBGNSBIN-UHFFFAOYSA-N -1 3 377.380 -0.346 20 0 GBADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735473948 598651639 /nfs/dbraw/zinc/65/16/39/598651639.db2.gz DDARSVGRJGHGDS-OAHLLOKOSA-N -1 3 385.428 -0.048 20 0 GBADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735473948 598651637 /nfs/dbraw/zinc/65/16/37/598651637.db2.gz DDARSVGRJGHGDS-OAHLLOKOSA-N -1 3 385.428 -0.048 20 0 GBADHM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000735474077 599282402 /nfs/dbraw/zinc/28/24/02/599282402.db2.gz GMOWIDSBTIYNKR-CYBMUJFWSA-N -1 3 387.400 -0.523 20 0 GBADHM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000735474077 599282400 /nfs/dbraw/zinc/28/24/00/599282400.db2.gz GMOWIDSBTIYNKR-CYBMUJFWSA-N -1 3 387.400 -0.523 20 0 GBADHM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000735474080 599282658 /nfs/dbraw/zinc/28/26/58/599282658.db2.gz GMOWIDSBTIYNKR-ZDUSSCGKSA-N -1 3 387.400 -0.523 20 0 GBADHM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000735474080 599282657 /nfs/dbraw/zinc/28/26/57/599282657.db2.gz GMOWIDSBTIYNKR-ZDUSSCGKSA-N -1 3 387.400 -0.523 20 0 GBADHM CC(=O)NC[C@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000735474225 599272905 /nfs/dbraw/zinc/27/29/05/599272905.db2.gz NDEXMKQMKSWDJC-AWEZNQCLSA-N -1 3 380.430 -0.467 20 0 GBADHM CC(=O)NC[C@H]1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000735474225 599272902 /nfs/dbraw/zinc/27/29/02/599272902.db2.gz NDEXMKQMKSWDJC-AWEZNQCLSA-N -1 3 380.430 -0.467 20 0 GBADHM CC(=O)NC[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000735474231 599273311 /nfs/dbraw/zinc/27/33/11/599273311.db2.gz NDEXMKQMKSWDJC-CQSZACIVSA-N -1 3 380.430 -0.467 20 0 GBADHM CC(=O)NC[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000735474231 599273309 /nfs/dbraw/zinc/27/33/09/599273309.db2.gz NDEXMKQMKSWDJC-CQSZACIVSA-N -1 3 380.430 -0.467 20 0 GBADHM CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000735474528 599273179 /nfs/dbraw/zinc/27/31/79/599273179.db2.gz PGLCJTDOLVAPLW-CYBMUJFWSA-N -1 3 380.430 -0.299 20 0 GBADHM CC(=O)NC[C@@H]1CN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000735474528 599273177 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3 385.428 -0.191 20 0 GBADHM CC(=O)NC[C@H]1CN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000735474566 599271366 /nfs/dbraw/zinc/27/13/66/599271366.db2.gz QDNIGTNHWGPJNA-HOTGVXAUSA-N -1 3 385.428 -0.191 20 0 GBADHM CC(=O)NC[C@H]1CN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000735474566 599271364 /nfs/dbraw/zinc/27/13/64/599271364.db2.gz QDNIGTNHWGPJNA-HOTGVXAUSA-N -1 3 385.428 -0.191 20 0 GBADHM CC(=O)NC[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000735474567 599270739 /nfs/dbraw/zinc/27/07/39/599270739.db2.gz QDNIGTNHWGPJNA-HZPDHXFCSA-N -1 3 385.428 -0.191 20 0 GBADHM CC(=O)NC[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000735474567 599270736 /nfs/dbraw/zinc/27/07/36/599270736.db2.gz QDNIGTNHWGPJNA-HZPDHXFCSA-N -1 3 385.428 -0.191 20 0 GBADHM CC(=O)NC[C@H]1CN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCO1 ZINC000735474568 599271037 /nfs/dbraw/zinc/27/10/37/599271037.db2.gz QDNIGTNHWGPJNA-JKSUJKDBSA-N -1 3 385.428 -0.191 20 0 GBADHM CC(=O)NC[C@H]1CN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCO1 ZINC000735474568 599271034 /nfs/dbraw/zinc/27/10/34/599271034.db2.gz QDNIGTNHWGPJNA-JKSUJKDBSA-N -1 3 385.428 -0.191 20 0 GBADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735475271 598651221 /nfs/dbraw/zinc/65/12/21/598651221.db2.gz OGKNNXZCJWNHLS-HNNXBMFYSA-N -1 3 385.428 -0.048 20 0 GBADHM CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735475271 598651220 /nfs/dbraw/zinc/65/12/20/598651220.db2.gz OGKNNXZCJWNHLS-HNNXBMFYSA-N -1 3 385.428 -0.048 20 0 GBADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735475273 598651239 /nfs/dbraw/zinc/65/12/39/598651239.db2.gz OGKNNXZCJWNHLS-OAHLLOKOSA-N -1 3 385.428 -0.048 20 0 GBADHM CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735475273 598651238 /nfs/dbraw/zinc/65/12/38/598651238.db2.gz OGKNNXZCJWNHLS-OAHLLOKOSA-N -1 3 385.428 -0.048 20 0 GBADHM CC(=O)NCCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735475397 598292226 /nfs/dbraw/zinc/29/22/26/598292226.db2.gz UYTWWMSGVXFZRN-UHFFFAOYSA-N -1 3 376.396 -0.027 20 0 GBADHM CC(=O)NC[C@@H]1CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CCO1 ZINC000735475587 599279247 /nfs/dbraw/zinc/27/92/47/599279247.db2.gz YGKYCNMIKFABAE-GFCCVEGCSA-N -1 3 389.420 -0.780 20 0 GBADHM CC(=O)NC[C@@H]1CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CCO1 ZINC000735475587 599279244 /nfs/dbraw/zinc/27/92/44/599279244.db2.gz YGKYCNMIKFABAE-GFCCVEGCSA-N -1 3 389.420 -0.780 20 0 GBADHM CC(=O)NC[C@H]1CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CCO1 ZINC000735475588 599279613 /nfs/dbraw/zinc/27/96/13/599279613.db2.gz YGKYCNMIKFABAE-LBPRGKRZSA-N -1 3 389.420 -0.780 20 0 GBADHM CC(=O)NC[C@H]1CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CCO1 ZINC000735475588 599279610 /nfs/dbraw/zinc/27/96/10/599279610.db2.gz YGKYCNMIKFABAE-LBPRGKRZSA-N -1 3 389.420 -0.780 20 0 GBADHM CC(=O)NC[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000735475690 599273463 /nfs/dbraw/zinc/27/34/63/599273463.db2.gz ZFXLRGMBKZMOQE-JTQLQIEISA-N -1 3 384.393 -0.469 20 0 GBADHM CC(=O)NC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000735475691 599273343 /nfs/dbraw/zinc/27/33/43/599273343.db2.gz ZFXLRGMBKZMOQE-SNVBAGLBSA-N -1 3 384.393 -0.469 20 0 GBADHM CC(=O)NCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735475843 598585384 /nfs/dbraw/zinc/58/53/84/598585384.db2.gz UAEAXPCTHVAJSU-GFCCVEGCSA-N -1 3 375.414 -0.157 20 0 GBADHM CC(=O)NCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735475843 598585383 /nfs/dbraw/zinc/58/53/83/598585383.db2.gz UAEAXPCTHVAJSU-GFCCVEGCSA-N -1 3 375.414 -0.157 20 0 GBADHM CC(=O)NCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735475850 598585498 /nfs/dbraw/zinc/58/54/98/598585498.db2.gz UAEAXPCTHVAJSU-LBPRGKRZSA-N -1 3 375.414 -0.157 20 0 GBADHM CC(=O)NCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735475850 598585496 /nfs/dbraw/zinc/58/54/96/598585496.db2.gz UAEAXPCTHVAJSU-LBPRGKRZSA-N -1 3 375.414 -0.157 20 0 GBADHM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000735475865 599281899 /nfs/dbraw/zinc/28/18/99/599281899.db2.gz UCTREIQNXQMRIH-LLVKDONJSA-N -1 3 391.363 -0.692 20 0 GBADHM CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000735475865 599281896 /nfs/dbraw/zinc/28/18/96/599281896.db2.gz UCTREIQNXQMRIH-LLVKDONJSA-N -1 3 391.363 -0.692 20 0 GBADHM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000735475872 599281846 /nfs/dbraw/zinc/28/18/46/599281846.db2.gz UCTREIQNXQMRIH-NSHDSACASA-N -1 3 391.363 -0.692 20 0 GBADHM CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000735475872 599281844 /nfs/dbraw/zinc/28/18/44/599281844.db2.gz UCTREIQNXQMRIH-NSHDSACASA-N -1 3 391.363 -0.692 20 0 GBADHM CC(=O)NC[C@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735475902 598405771 /nfs/dbraw/zinc/40/57/71/598405771.db2.gz ULJZHSDJESJQIS-CYBMUJFWSA-N -1 3 385.428 -0.029 20 0 GBADHM CC(=O)NC[C@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735475902 598405769 /nfs/dbraw/zinc/40/57/69/598405769.db2.gz ULJZHSDJESJQIS-CYBMUJFWSA-N -1 3 385.428 -0.029 20 0 GBADHM CC(=O)NC[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735475911 598405944 /nfs/dbraw/zinc/40/59/44/598405944.db2.gz ULJZHSDJESJQIS-ZDUSSCGKSA-N -1 3 385.428 -0.029 20 0 GBADHM CC(=O)NC[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735475911 598405942 /nfs/dbraw/zinc/40/59/42/598405942.db2.gz ULJZHSDJESJQIS-ZDUSSCGKSA-N -1 3 385.428 -0.029 20 0 GBADHM CC(=O)NCC1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735476285 598403892 /nfs/dbraw/zinc/40/38/92/598403892.db2.gz XDCBANLATMPYLH-UHFFFAOYSA-N -1 3 385.428 -0.029 20 0 GBADHM CC(=O)NCC1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735476285 598403891 /nfs/dbraw/zinc/40/38/91/598403891.db2.gz XDCBANLATMPYLH-UHFFFAOYSA-N -1 3 385.428 -0.029 20 0 GBADHM CC(=O)N[C@@H](CC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C)C(N)=O ZINC000735482989 599317407 /nfs/dbraw/zinc/31/74/07/599317407.db2.gz YNLXFZFHONLOFN-LBPRGKRZSA-N -1 3 375.389 -0.028 20 0 GBADHM CC(=O)N[C@@H](CC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C)C(N)=O ZINC000735482989 599317404 /nfs/dbraw/zinc/31/74/04/599317404.db2.gz YNLXFZFHONLOFN-LBPRGKRZSA-N -1 3 375.389 -0.028 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735506960 598451581 /nfs/dbraw/zinc/45/15/81/598451581.db2.gz YPCFFTGGSGKHRN-GFCCVEGCSA-N -1 3 393.473 -0.350 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735506960 598451580 /nfs/dbraw/zinc/45/15/80/598451580.db2.gz YPCFFTGGSGKHRN-GFCCVEGCSA-N -1 3 393.473 -0.350 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735506962 598451185 /nfs/dbraw/zinc/45/11/85/598451185.db2.gz YPCFFTGGSGKHRN-LBPRGKRZSA-N -1 3 393.473 -0.350 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735506962 598451183 /nfs/dbraw/zinc/45/11/83/598451183.db2.gz YPCFFTGGSGKHRN-LBPRGKRZSA-N -1 3 393.473 -0.350 20 0 GBADHM C[C@@H](C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)N1CCN(C)CC1 ZINC000735524331 598284861 /nfs/dbraw/zinc/28/48/61/598284861.db2.gz AUNQOVJQEVJIBM-AWEZNQCLSA-N -1 3 385.476 -0.454 20 0 GBADHM C[C@H](C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)N1CCN(C)CC1 ZINC000735524332 598285022 /nfs/dbraw/zinc/28/50/22/598285022.db2.gz AUNQOVJQEVJIBM-CQSZACIVSA-N -1 3 385.476 -0.454 20 0 GBADHM C[C@H](C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)N1C(=O)CCC1=O ZINC000735524977 598499228 /nfs/dbraw/zinc/49/92/28/598499228.db2.gz HDDPOIHICIVKEL-LLVKDONJSA-N -1 3 384.400 -0.552 20 0 GBADHM C[C@H](C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)N1C(=O)CCC1=O ZINC000735524977 598499227 /nfs/dbraw/zinc/49/92/27/598499227.db2.gz HDDPOIHICIVKEL-LLVKDONJSA-N -1 3 384.400 -0.552 20 0 GBADHM C[C@@H](C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)N1C(=O)CCC1=O ZINC000735524978 598499474 /nfs/dbraw/zinc/49/94/74/598499474.db2.gz HDDPOIHICIVKEL-NSHDSACASA-N -1 3 384.400 -0.552 20 0 GBADHM C[C@@H](C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)N1C(=O)CCC1=O ZINC000735524978 598499472 /nfs/dbraw/zinc/49/94/72/598499472.db2.gz HDDPOIHICIVKEL-NSHDSACASA-N -1 3 384.400 -0.552 20 0 GBADHM C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1C(=O)CCC1=O ZINC000735535549 598448083 /nfs/dbraw/zinc/44/80/83/598448083.db2.gz ABYCXQQHEDLIEO-LLVKDONJSA-N -1 3 398.427 -0.116 20 0 GBADHM C[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1C(=O)CCC1=O ZINC000735535549 598448082 /nfs/dbraw/zinc/44/80/82/598448082.db2.gz ABYCXQQHEDLIEO-LLVKDONJSA-N -1 3 398.427 -0.116 20 0 GBADHM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1C(=O)CCC1=O ZINC000735535550 598448458 /nfs/dbraw/zinc/44/84/58/598448458.db2.gz ABYCXQQHEDLIEO-NSHDSACASA-N -1 3 398.427 -0.116 20 0 GBADHM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1C(=O)CCC1=O ZINC000735535550 598448456 /nfs/dbraw/zinc/44/84/56/598448456.db2.gz ABYCXQQHEDLIEO-NSHDSACASA-N -1 3 398.427 -0.116 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735537616 599067231 /nfs/dbraw/zinc/06/72/31/599067231.db2.gz MPHOFFRPVYKWIF-BLLLJJGKSA-N -1 3 398.471 -0.322 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735537616 599067229 /nfs/dbraw/zinc/06/72/29/599067229.db2.gz MPHOFFRPVYKWIF-BLLLJJGKSA-N -1 3 398.471 -0.322 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735537617 599066846 /nfs/dbraw/zinc/06/68/46/599066846.db2.gz MPHOFFRPVYKWIF-LRDDRELGSA-N -1 3 398.471 -0.322 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735537617 599066844 /nfs/dbraw/zinc/06/68/44/599066844.db2.gz MPHOFFRPVYKWIF-LRDDRELGSA-N -1 3 398.471 -0.322 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735537618 599067662 /nfs/dbraw/zinc/06/76/62/599067662.db2.gz MPHOFFRPVYKWIF-MLGOLLRUSA-N -1 3 398.471 -0.322 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735537618 599067659 /nfs/dbraw/zinc/06/76/59/599067659.db2.gz MPHOFFRPVYKWIF-MLGOLLRUSA-N -1 3 398.471 -0.322 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735537619 599067314 /nfs/dbraw/zinc/06/73/14/599067314.db2.gz MPHOFFRPVYKWIF-WBMJQRKESA-N -1 3 398.471 -0.322 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735537619 599067311 /nfs/dbraw/zinc/06/73/11/599067311.db2.gz MPHOFFRPVYKWIF-WBMJQRKESA-N -1 3 398.471 -0.322 20 0 GBADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN(CC(N)=O)CC1 ZINC000735552337 598469951 /nfs/dbraw/zinc/46/99/51/598469951.db2.gz XRSRMIXQXHENRY-JTQLQIEISA-N -1 3 392.851 -0.050 20 0 GBADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN(CC(N)=O)CC1 ZINC000735552337 598469950 /nfs/dbraw/zinc/46/99/50/598469950.db2.gz XRSRMIXQXHENRY-JTQLQIEISA-N -1 3 392.851 -0.050 20 0 GBADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN(CC(N)=O)CC1 ZINC000735552339 598470108 /nfs/dbraw/zinc/47/01/08/598470108.db2.gz XRSRMIXQXHENRY-SNVBAGLBSA-N -1 3 392.851 -0.050 20 0 GBADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN(CC(N)=O)CC1 ZINC000735552339 598470106 /nfs/dbraw/zinc/47/01/06/598470106.db2.gz XRSRMIXQXHENRY-SNVBAGLBSA-N -1 3 392.851 -0.050 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000735558570 599207742 /nfs/dbraw/zinc/20/77/42/599207742.db2.gz FFURVNQWPPUUEX-GWCFXTLKSA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000735558570 599207740 /nfs/dbraw/zinc/20/77/40/599207740.db2.gz FFURVNQWPPUUEX-GWCFXTLKSA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000735558572 599207260 /nfs/dbraw/zinc/20/72/60/599207260.db2.gz FFURVNQWPPUUEX-GXFFZTMASA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000735558572 599207257 /nfs/dbraw/zinc/20/72/57/599207257.db2.gz FFURVNQWPPUUEX-GXFFZTMASA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000735558574 599207647 /nfs/dbraw/zinc/20/76/47/599207647.db2.gz FFURVNQWPPUUEX-MFKMUULPSA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000735558574 599207644 /nfs/dbraw/zinc/20/76/44/599207644.db2.gz FFURVNQWPPUUEX-MFKMUULPSA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000735558576 599207610 /nfs/dbraw/zinc/20/76/10/599207610.db2.gz FFURVNQWPPUUEX-ZWNOBZJWSA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000735558576 599207607 /nfs/dbraw/zinc/20/76/07/599207607.db2.gz FFURVNQWPPUUEX-ZWNOBZJWSA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000735561093 598416032 /nfs/dbraw/zinc/41/60/32/598416032.db2.gz HNRSSBRGHMBILK-SECBINFHSA-N -1 3 395.383 -0.187 20 0 GBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000735561093 598416031 /nfs/dbraw/zinc/41/60/31/598416031.db2.gz HNRSSBRGHMBILK-SECBINFHSA-N -1 3 395.383 -0.187 20 0 GBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000735561098 598415656 /nfs/dbraw/zinc/41/56/56/598415656.db2.gz HNRSSBRGHMBILK-VIFPVBQESA-N -1 3 395.383 -0.187 20 0 GBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000735561098 598415654 /nfs/dbraw/zinc/41/56/54/598415654.db2.gz HNRSSBRGHMBILK-VIFPVBQESA-N -1 3 395.383 -0.187 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC(S(N)(=O)=O)CC1 ZINC000735561341 598567214 /nfs/dbraw/zinc/56/72/14/598567214.db2.gz XFXPETBKKJJLIR-JTQLQIEISA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC(S(N)(=O)=O)CC1 ZINC000735561341 598567213 /nfs/dbraw/zinc/56/72/13/598567213.db2.gz XFXPETBKKJJLIR-JTQLQIEISA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC(S(N)(=O)=O)CC1 ZINC000735561342 598567228 /nfs/dbraw/zinc/56/72/28/598567228.db2.gz XFXPETBKKJJLIR-SNVBAGLBSA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC(S(N)(=O)=O)CC1 ZINC000735561342 598567226 /nfs/dbraw/zinc/56/72/26/598567226.db2.gz XFXPETBKKJJLIR-SNVBAGLBSA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000735562220 599207792 /nfs/dbraw/zinc/20/77/92/599207792.db2.gz ORSOCMZYHGDDQS-GHMZBOCLSA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000735562220 599207789 /nfs/dbraw/zinc/20/77/89/599207789.db2.gz ORSOCMZYHGDDQS-GHMZBOCLSA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000735562222 599207570 /nfs/dbraw/zinc/20/75/70/599207570.db2.gz ORSOCMZYHGDDQS-MNOVXSKESA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000735562222 599207567 /nfs/dbraw/zinc/20/75/67/599207567.db2.gz ORSOCMZYHGDDQS-MNOVXSKESA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000735562224 599207554 /nfs/dbraw/zinc/20/75/54/599207554.db2.gz ORSOCMZYHGDDQS-QWRGUYRKSA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000735562224 599207552 /nfs/dbraw/zinc/20/75/52/599207552.db2.gz ORSOCMZYHGDDQS-QWRGUYRKSA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000735562226 599207619 /nfs/dbraw/zinc/20/76/19/599207619.db2.gz ORSOCMZYHGDDQS-WDEREUQCSA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000735562226 599207617 /nfs/dbraw/zinc/20/76/17/599207617.db2.gz ORSOCMZYHGDDQS-WDEREUQCSA-N -1 3 379.446 -0.183 20 0 GBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC(S(N)(=O)=O)CC1 ZINC000735564006 598567583 /nfs/dbraw/zinc/56/75/83/598567583.db2.gz VWVDHOWRFXZHFB-JTQLQIEISA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC(S(N)(=O)=O)CC1 ZINC000735564006 598567581 /nfs/dbraw/zinc/56/75/81/598567581.db2.gz VWVDHOWRFXZHFB-JTQLQIEISA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCC(S(N)(=O)=O)CC1 ZINC000735564007 598567330 /nfs/dbraw/zinc/56/73/30/598567330.db2.gz VWVDHOWRFXZHFB-SNVBAGLBSA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCC(S(N)(=O)=O)CC1 ZINC000735564007 598567329 /nfs/dbraw/zinc/56/73/29/598567329.db2.gz VWVDHOWRFXZHFB-SNVBAGLBSA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735572231 598840341 /nfs/dbraw/zinc/84/03/41/598840341.db2.gz UNBXHGRMMKADTQ-GHMZBOCLSA-N -1 3 394.457 -0.124 20 0 GBADHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735572231 598840340 /nfs/dbraw/zinc/84/03/40/598840340.db2.gz UNBXHGRMMKADTQ-GHMZBOCLSA-N -1 3 394.457 -0.124 20 0 GBADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735572232 598840625 /nfs/dbraw/zinc/84/06/25/598840625.db2.gz UNBXHGRMMKADTQ-MNOVXSKESA-N -1 3 394.457 -0.124 20 0 GBADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735572232 598840624 /nfs/dbraw/zinc/84/06/24/598840624.db2.gz UNBXHGRMMKADTQ-MNOVXSKESA-N -1 3 394.457 -0.124 20 0 GBADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735572233 598840416 /nfs/dbraw/zinc/84/04/16/598840416.db2.gz UNBXHGRMMKADTQ-QWRGUYRKSA-N -1 3 394.457 -0.124 20 0 GBADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735572233 598840414 /nfs/dbraw/zinc/84/04/14/598840414.db2.gz UNBXHGRMMKADTQ-QWRGUYRKSA-N -1 3 394.457 -0.124 20 0 GBADHM C[C@H]([C@H](C)N(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)S(C)(=O)=O ZINC000735572234 598840520 /nfs/dbraw/zinc/84/05/20/598840520.db2.gz UNBXHGRMMKADTQ-WDEREUQCSA-N -1 3 394.457 -0.124 20 0 GBADHM C[C@H]([C@H](C)N(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)S(C)(=O)=O ZINC000735572234 598840519 /nfs/dbraw/zinc/84/05/19/598840519.db2.gz UNBXHGRMMKADTQ-WDEREUQCSA-N -1 3 394.457 -0.124 20 0 GBADHM CC(C)(C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)S(C)(=O)=O ZINC000735574993 598809538 /nfs/dbraw/zinc/80/95/38/598809538.db2.gz MFGUIDUTHPDEPC-UHFFFAOYSA-N -1 3 379.446 -0.267 20 0 GBADHM CC(C)(C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)S(C)(=O)=O ZINC000735574993 598809536 /nfs/dbraw/zinc/80/95/36/598809536.db2.gz MFGUIDUTHPDEPC-UHFFFAOYSA-N -1 3 379.446 -0.267 20 0 GBADHM CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC000735575628 598802827 /nfs/dbraw/zinc/80/28/27/598802827.db2.gz VBEJBCMIDRNFLO-UHFFFAOYSA-N -1 3 379.446 -0.267 20 0 GBADHM CC(C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC000735575628 598802825 /nfs/dbraw/zinc/80/28/25/598802825.db2.gz VBEJBCMIDRNFLO-UHFFFAOYSA-N -1 3 379.446 -0.267 20 0 GBADHM CC(C)(C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000735575667 598809652 /nfs/dbraw/zinc/80/96/52/598809652.db2.gz VWGLCIPRZCCHFP-UHFFFAOYSA-N -1 3 379.446 -0.267 20 0 GBADHM CC(C)(C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000735575667 598809651 /nfs/dbraw/zinc/80/96/51/598809651.db2.gz VWGLCIPRZCCHFP-UHFFFAOYSA-N -1 3 379.446 -0.267 20 0 GBADHM CC(C)(C)NS(=O)(=O)CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735622806 599126253 /nfs/dbraw/zinc/12/62/53/599126253.db2.gz FUZRSGICTLYZBJ-GFCCVEGCSA-N -1 3 396.429 -0.346 20 0 GBADHM CC(C)(C)NS(=O)(=O)CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735622806 599126251 /nfs/dbraw/zinc/12/62/51/599126251.db2.gz FUZRSGICTLYZBJ-GFCCVEGCSA-N -1 3 396.429 -0.346 20 0 GBADHM CC(C)(C)NS(=O)(=O)CC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735622807 599126506 /nfs/dbraw/zinc/12/65/06/599126506.db2.gz FUZRSGICTLYZBJ-LBPRGKRZSA-N -1 3 396.429 -0.346 20 0 GBADHM CC(C)(C)NS(=O)(=O)CC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735622807 599126503 /nfs/dbraw/zinc/12/65/03/599126503.db2.gz FUZRSGICTLYZBJ-LBPRGKRZSA-N -1 3 396.429 -0.346 20 0 GBADHM CC(C)(C)NS(=O)(=O)CC(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000735623428 598734765 /nfs/dbraw/zinc/73/47/65/598734765.db2.gz NWEOMTQBSWZDHT-UHFFFAOYSA-N -1 3 383.434 -0.065 20 0 GBADHM CC(C)(C)NS(=O)(=O)CC(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000735623428 598734764 /nfs/dbraw/zinc/73/47/64/598734764.db2.gz NWEOMTQBSWZDHT-UHFFFAOYSA-N -1 3 383.434 -0.065 20 0 GBADHM CC(C)(C)OC(=O)N1CCN(CC(=O)n2ncc(-c3nnn[n-]3)c2N)C(=O)C1 ZINC000735634199 599054220 /nfs/dbraw/zinc/05/42/20/599054220.db2.gz VWHMLOYCHLCBEG-UHFFFAOYSA-N -1 3 391.392 -0.635 20 0 GBADHM CC(C)(C)S(=O)(=O)CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735643049 598840476 /nfs/dbraw/zinc/84/04/76/598840476.db2.gz KTIYFLCDCDSFIU-UHFFFAOYSA-N -1 3 394.457 -0.074 20 0 GBADHM CC(C)(C)S(=O)(=O)CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735643049 598840474 /nfs/dbraw/zinc/84/04/74/598840474.db2.gz KTIYFLCDCDSFIU-UHFFFAOYSA-N -1 3 394.457 -0.074 20 0 GBADHM CC(C)(CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)NS(C)(=O)=O ZINC000735665044 598600826 /nfs/dbraw/zinc/60/08/26/598600826.db2.gz AODWQFNGOAFFMA-UHFFFAOYSA-N -1 3 381.418 -0.751 20 0 GBADHM CC(C)(CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)NS(C)(=O)=O ZINC000735665044 598600824 /nfs/dbraw/zinc/60/08/24/598600824.db2.gz AODWQFNGOAFFMA-UHFFFAOYSA-N -1 3 381.418 -0.751 20 0 GBADHM CC(C)(CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000735665630 598398325 /nfs/dbraw/zinc/39/83/25/598398325.db2.gz IQMXRIFGHMDEGT-UHFFFAOYSA-N -1 3 387.444 -0.177 20 0 GBADHM CC(C)(CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCOCC1 ZINC000735665630 598398324 /nfs/dbraw/zinc/39/83/24/598398324.db2.gz IQMXRIFGHMDEGT-UHFFFAOYSA-N -1 3 387.444 -0.177 20 0 GBADHM CC(C)(CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)NS(C)(=O)=O ZINC000735665658 598600819 /nfs/dbraw/zinc/60/08/19/598600819.db2.gz JCXZTUXULPLUHF-UHFFFAOYSA-N -1 3 381.418 -0.751 20 0 GBADHM CC(C)(CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)NS(C)(=O)=O ZINC000735665658 598600817 /nfs/dbraw/zinc/60/08/17/598600817.db2.gz JCXZTUXULPLUHF-UHFFFAOYSA-N -1 3 381.418 -0.751 20 0 GBADHM CC(C)(CNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NS(C)(=O)=O ZINC000735665688 598597150 /nfs/dbraw/zinc/59/71/50/598597150.db2.gz JOIJVBABGZWHIF-UHFFFAOYSA-N -1 3 395.445 -0.960 20 0 GBADHM CC(C)(CNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NS(C)(=O)=O ZINC000735665688 598597149 /nfs/dbraw/zinc/59/71/49/598597149.db2.gz JOIJVBABGZWHIF-UHFFFAOYSA-N -1 3 395.445 -0.960 20 0 GBADHM CC(C)(CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)NS(C)(=O)=O ZINC000735666106 598601086 /nfs/dbraw/zinc/60/10/86/598601086.db2.gz NGUBUSLBNZYYML-UHFFFAOYSA-N -1 3 399.408 -0.612 20 0 GBADHM CC(C)(CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)NS(C)(=O)=O ZINC000735666106 598601085 /nfs/dbraw/zinc/60/10/85/598601085.db2.gz NGUBUSLBNZYYML-UHFFFAOYSA-N -1 3 399.408 -0.612 20 0 GBADHM CC(C)(CNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1)NS(C)(=O)=O ZINC000735670217 598597153 /nfs/dbraw/zinc/59/71/53/598597153.db2.gz JJDUJDYZDBPFIU-UHFFFAOYSA-N -1 3 397.465 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387.400 -0.059 20 0 GBADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCCNC(=O)C1 ZINC000735904368 598372151 /nfs/dbraw/zinc/37/21/51/598372151.db2.gz MYBNPZDNZGOVEV-UHFFFAOYSA-N -1 3 387.400 -0.059 20 0 GBADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCS(C)(=O)=O ZINC000735904862 599511278 /nfs/dbraw/zinc/51/12/78/599511278.db2.gz UNTBNMRWCPAIMC-UHFFFAOYSA-N -1 3 396.429 -0.247 20 0 GBADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCS(C)(=O)=O ZINC000735904862 599511275 /nfs/dbraw/zinc/51/12/75/599511275.db2.gz UNTBNMRWCPAIMC-UHFFFAOYSA-N -1 3 396.429 -0.247 20 0 GBADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCOCCO ZINC000735904907 599511335 /nfs/dbraw/zinc/51/13/35/599511335.db2.gz WFDWIJTZLPBYJI-UHFFFAOYSA-N -1 3 378.389 -0.283 20 0 GBADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCOCCO ZINC000735904907 599511333 /nfs/dbraw/zinc/51/13/33/599511333.db2.gz WFDWIJTZLPBYJI-UHFFFAOYSA-N -1 3 378.389 -0.283 20 0 GBADHM C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736002547 598406081 /nfs/dbraw/zinc/40/60/81/598406081.db2.gz QTNNRHGUFWYQQQ-LLVKDONJSA-N -1 3 383.453 -0.080 20 0 GBADHM C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736002551 598405951 /nfs/dbraw/zinc/40/59/51/598405951.db2.gz QTNNRHGUFWYQQQ-NSHDSACASA-N -1 3 383.453 -0.080 20 0 GBADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCOCC1 ZINC000736010125 598636880 /nfs/dbraw/zinc/63/68/80/598636880.db2.gz NCPOPMHLAPHDLJ-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000736010125 598636879 /nfs/dbraw/zinc/63/68/79/598636879.db2.gz NCPOPMHLAPHDLJ-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)N1CCOCC1 ZINC000736010126 598636546 /nfs/dbraw/zinc/63/65/46/598636546.db2.gz NCPOPMHLAPHDLJ-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000736010126 598636544 /nfs/dbraw/zinc/63/65/44/598636544.db2.gz NCPOPMHLAPHDLJ-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736010467 598636707 /nfs/dbraw/zinc/63/67/07/598636707.db2.gz RARBLFAUJKIHCE-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736010467 598636706 /nfs/dbraw/zinc/63/67/06/598636706.db2.gz RARBLFAUJKIHCE-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736010469 598636553 /nfs/dbraw/zinc/63/65/53/598636553.db2.gz RARBLFAUJKIHCE-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736010469 598636551 /nfs/dbraw/zinc/63/65/51/598636551.db2.gz RARBLFAUJKIHCE-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CNC(=O)NCCNc1ncccc1-c1nn[n-]n1)CN1CCOCC1 ZINC000736019010 599612609 /nfs/dbraw/zinc/61/26/09/599612609.db2.gz YKBBXXLGUQNYAT-CYBMUJFWSA-N -1 3 389.464 -0.059 20 0 GBADHM C[C@H](CNC(=O)NCCNc1ncccc1-c1nnn[n-]1)CN1CCOCC1 ZINC000736019010 599612607 /nfs/dbraw/zinc/61/26/07/599612607.db2.gz YKBBXXLGUQNYAT-CYBMUJFWSA-N -1 3 389.464 -0.059 20 0 GBADHM C[C@@H](CNC(=O)NCCNc1ncccc1-c1nn[n-]n1)CN1CCOCC1 ZINC000736019013 599612834 /nfs/dbraw/zinc/61/28/34/599612834.db2.gz YKBBXXLGUQNYAT-ZDUSSCGKSA-N -1 3 389.464 -0.059 20 0 GBADHM C[C@@H](CNC(=O)NCCNc1ncccc1-c1nnn[n-]1)CN1CCOCC1 ZINC000736019013 599612833 /nfs/dbraw/zinc/61/28/33/599612833.db2.gz YKBBXXLGUQNYAT-ZDUSSCGKSA-N -1 3 389.464 -0.059 20 0 GBADHM C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736037093 598853241 /nfs/dbraw/zinc/85/32/41/598853241.db2.gz DOQGWZLQDDWVSY-LLVKDONJSA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736037093 598853239 /nfs/dbraw/zinc/85/32/39/598853239.db2.gz DOQGWZLQDDWVSY-LLVKDONJSA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000736037098 598853700 /nfs/dbraw/zinc/85/37/00/598853700.db2.gz DOQGWZLQDDWVSY-NSHDSACASA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000736037098 598853698 /nfs/dbraw/zinc/85/36/98/598853698.db2.gz DOQGWZLQDDWVSY-NSHDSACASA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000736037368 599220207 /nfs/dbraw/zinc/22/02/07/599220207.db2.gz GGZGVLAHSUALAG-JTQLQIEISA-N -1 3 386.368 -0.112 20 0 GBADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000736037368 599220205 /nfs/dbraw/zinc/22/02/05/599220205.db2.gz GGZGVLAHSUALAG-JTQLQIEISA-N -1 3 386.368 -0.112 20 0 GBADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000736037370 599219733 /nfs/dbraw/zinc/21/97/33/599219733.db2.gz GGZGVLAHSUALAG-SNVBAGLBSA-N -1 3 386.368 -0.112 20 0 GBADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cn(C)c(=O)n(C)c1=O ZINC000736037370 599219732 /nfs/dbraw/zinc/21/97/32/599219732.db2.gz GGZGVLAHSUALAG-SNVBAGLBSA-N -1 3 386.368 -0.112 20 0 GBADHM C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736039669 598853182 /nfs/dbraw/zinc/85/31/82/598853182.db2.gz JOSSSDBGXJSNGP-LLVKDONJSA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736039669 598853180 /nfs/dbraw/zinc/85/31/80/598853180.db2.gz JOSSSDBGXJSNGP-LLVKDONJSA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736039671 598853277 /nfs/dbraw/zinc/85/32/77/598853277.db2.gz JOSSSDBGXJSNGP-NSHDSACASA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736039671 598853275 /nfs/dbraw/zinc/85/32/75/598853275.db2.gz JOSSSDBGXJSNGP-NSHDSACASA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cn1ccc(=O)n(C)c1=O ZINC000736039709 598884268 /nfs/dbraw/zinc/88/42/68/598884268.db2.gz KEJOZULBSUVAFV-LLVKDONJSA-N -1 3 386.368 -0.262 20 0 GBADHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cn1ccc(=O)n(C)c1=O ZINC000736039709 598884267 /nfs/dbraw/zinc/88/42/67/598884267.db2.gz KEJOZULBSUVAFV-LLVKDONJSA-N -1 3 386.368 -0.262 20 0 GBADHM C[C@@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)Cn1ccc(=O)n(C)c1=O ZINC000736039710 598884504 /nfs/dbraw/zinc/88/45/04/598884504.db2.gz KEJOZULBSUVAFV-NSHDSACASA-N -1 3 386.368 -0.262 20 0 GBADHM C[C@@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)Cn1ccc(=O)n(C)c1=O ZINC000736039710 598884502 /nfs/dbraw/zinc/88/45/02/598884502.db2.gz KEJOZULBSUVAFV-NSHDSACASA-N -1 3 386.368 -0.262 20 0 GBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736039729 598758224 /nfs/dbraw/zinc/75/82/24/598758224.db2.gz KQUNWUPTXKQSIX-JTQLQIEISA-N -1 3 380.430 -0.512 20 0 GBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736039729 598758223 /nfs/dbraw/zinc/75/82/23/598758223.db2.gz KQUNWUPTXKQSIX-JTQLQIEISA-N -1 3 380.430 -0.512 20 0 GBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736039730 598758187 /nfs/dbraw/zinc/75/81/87/598758187.db2.gz KQUNWUPTXKQSIX-SNVBAGLBSA-N -1 3 380.430 -0.512 20 0 GBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736039730 598758186 /nfs/dbraw/zinc/75/81/86/598758186.db2.gz KQUNWUPTXKQSIX-SNVBAGLBSA-N -1 3 380.430 -0.512 20 0 GBADHM C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736040814 598853620 /nfs/dbraw/zinc/85/36/20/598853620.db2.gz RNKBOSLOXPEOHQ-LLVKDONJSA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736040814 598853618 /nfs/dbraw/zinc/85/36/18/598853618.db2.gz RNKBOSLOXPEOHQ-LLVKDONJSA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736040819 598853421 /nfs/dbraw/zinc/85/34/21/598853421.db2.gz RNKBOSLOXPEOHQ-NSHDSACASA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CS(C)(=O)=O)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736040819 598853419 /nfs/dbraw/zinc/85/34/19/598853419.db2.gz RNKBOSLOXPEOHQ-NSHDSACASA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736041184 598760451 /nfs/dbraw/zinc/76/04/51/598760451.db2.gz UHIPSPDZACQLFL-JTQLQIEISA-N -1 3 382.450 -0.252 20 0 GBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736041184 598760450 /nfs/dbraw/zinc/76/04/50/598760450.db2.gz UHIPSPDZACQLFL-JTQLQIEISA-N -1 3 382.450 -0.252 20 0 GBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736041185 598760672 /nfs/dbraw/zinc/76/06/72/598760672.db2.gz UHIPSPDZACQLFL-SNVBAGLBSA-N -1 3 382.450 -0.252 20 0 GBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736041185 598760670 /nfs/dbraw/zinc/76/06/70/598760670.db2.gz UHIPSPDZACQLFL-SNVBAGLBSA-N -1 3 382.450 -0.252 20 0 GBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736041187 598758487 /nfs/dbraw/zinc/75/84/87/598758487.db2.gz UHJXIIHHAKCXPN-JTQLQIEISA-N -1 3 382.450 -0.252 20 0 GBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736041187 598758485 /nfs/dbraw/zinc/75/84/85/598758485.db2.gz UHJXIIHHAKCXPN-JTQLQIEISA-N -1 3 382.450 -0.252 20 0 GBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736041189 598758644 /nfs/dbraw/zinc/75/86/44/598758644.db2.gz UHJXIIHHAKCXPN-SNVBAGLBSA-N -1 3 382.450 -0.252 20 0 GBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736041189 598758642 /nfs/dbraw/zinc/75/86/42/598758642.db2.gz UHJXIIHHAKCXPN-SNVBAGLBSA-N -1 3 382.450 -0.252 20 0 GBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736041732 598761273 /nfs/dbraw/zinc/76/12/73/598761273.db2.gz YKYIXGCRRCVZCZ-MRVPVSSYSA-N -1 3 384.393 -0.164 20 0 GBADHM C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736041732 598761272 /nfs/dbraw/zinc/76/12/72/598761272.db2.gz YKYIXGCRRCVZCZ-MRVPVSSYSA-N -1 3 384.393 -0.164 20 0 GBADHM C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736041739 598761051 /nfs/dbraw/zinc/76/10/51/598761051.db2.gz YKYIXGCRRCVZCZ-QMMMGPOBSA-N 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ZINC000736123282 598568998 /nfs/dbraw/zinc/56/89/98/598568998.db2.gz AZCJZZGLOVDPRT-MRVPVSSYSA-N -1 3 384.443 -0.697 20 0 GBADHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)C(=O)N1CCS(=O)(=O)CC1 ZINC000736123283 598569327 /nfs/dbraw/zinc/56/93/27/598569327.db2.gz AZCJZZGLOVDPRT-QMMMGPOBSA-N -1 3 384.443 -0.697 20 0 GBADHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)C(=O)N1CCS(=O)(=O)CC1 ZINC000736123283 598569325 /nfs/dbraw/zinc/56/93/25/598569325.db2.gz AZCJZZGLOVDPRT-QMMMGPOBSA-N -1 3 384.443 -0.697 20 0 GBADHM C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000736123842 598806642 /nfs/dbraw/zinc/80/66/42/598806642.db2.gz RBYLTIVMDOMHDO-JTQLQIEISA-N -1 3 378.414 -0.758 20 0 GBADHM C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000736123842 598806641 /nfs/dbraw/zinc/80/66/41/598806641.db2.gz RBYLTIVMDOMHDO-JTQLQIEISA-N -1 3 378.414 -0.758 20 0 GBADHM C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000736123843 598806767 /nfs/dbraw/zinc/80/67/67/598806767.db2.gz 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C[C@H](NS(C)(=O)=O)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736132225 598472805 /nfs/dbraw/zinc/47/28/05/598472805.db2.gz SYQYVHXUDWTYMV-JTQLQIEISA-N -1 3 394.461 -0.716 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736132225 598472804 /nfs/dbraw/zinc/47/28/04/598472804.db2.gz SYQYVHXUDWTYMV-JTQLQIEISA-N -1 3 394.461 -0.716 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736132226 598472742 /nfs/dbraw/zinc/47/27/42/598472742.db2.gz SYQYVHXUDWTYMV-SNVBAGLBSA-N -1 3 394.461 -0.716 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736132226 598472739 /nfs/dbraw/zinc/47/27/39/598472739.db2.gz SYQYVHXUDWTYMV-SNVBAGLBSA-N -1 3 394.461 -0.716 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736132765 598287765 /nfs/dbraw/zinc/28/77/65/598287765.db2.gz WVZGQIPNTLXYGI-JTQLQIEISA-N -1 3 397.436 -0.408 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 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C[C@H](OC(=O)[C@H]1CNC(=O)N1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736148971 598724794 /nfs/dbraw/zinc/72/47/94/598724794.db2.gz FIYKVFUDKZVZRQ-POYBYMJQSA-N -1 3 391.413 -0.032 20 0 GBADHM C[C@H](OC(=O)[C@H]1CNC(=O)N1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736148971 598724793 /nfs/dbraw/zinc/72/47/93/598724793.db2.gz FIYKVFUDKZVZRQ-POYBYMJQSA-N -1 3 391.413 -0.032 20 0 GBADHM C[C@@H](OC(=O)[C@@H]1CNC(=O)N1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736148974 598724426 /nfs/dbraw/zinc/72/44/26/598724426.db2.gz FIYKVFUDKZVZRQ-SVRRBLITSA-N -1 3 391.413 -0.032 20 0 GBADHM C[C@@H](OC(=O)[C@@H]1CNC(=O)N1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736148974 598724424 /nfs/dbraw/zinc/72/44/24/598724424.db2.gz FIYKVFUDKZVZRQ-SVRRBLITSA-N -1 3 391.413 -0.032 20 0 GBADHM C[C@H](OC(=O)[C@@H]1CNC(=O)N1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736148976 598724646 /nfs/dbraw/zinc/72/46/46/598724646.db2.gz FIYKVFUDKZVZRQ-XPUUQOCRSA-N -1 3 391.413 -0.032 20 0 GBADHM C[C@H](OC(=O)[C@@H]1CNC(=O)N1)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000736148976 598724644 /nfs/dbraw/zinc/72/46/44/598724644.db2.gz FIYKVFUDKZVZRQ-XPUUQOCRSA-N -1 3 391.413 -0.032 20 0 GBADHM C[C@@H](OC(=O)CN1CCC(=O)NC1=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736153403 598847890 /nfs/dbraw/zinc/84/78/90/598847890.db2.gz YPBMRMBWOUPKPO-SECBINFHSA-N -1 3 387.356 -0.321 20 0 GBADHM C[C@@H](OC(=O)CN1CCC(=O)NC1=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736153403 598847888 /nfs/dbraw/zinc/84/78/88/598847888.db2.gz YPBMRMBWOUPKPO-SECBINFHSA-N -1 3 387.356 -0.321 20 0 GBADHM C[C@H](OC(=O)CN1CCC(=O)NC1=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736153407 598847838 /nfs/dbraw/zinc/84/78/38/598847838.db2.gz YPBMRMBWOUPKPO-VIFPVBQESA-N -1 3 387.356 -0.321 20 0 GBADHM C[C@H](OC(=O)CN1CCC(=O)NC1=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736153407 598847837 /nfs/dbraw/zinc/84/78/37/598847837.db2.gz YPBMRMBWOUPKPO-VIFPVBQESA-N -1 3 387.356 -0.321 20 0 GBADHM C[C@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncccn1 ZINC000736155258 598411137 /nfs/dbraw/zinc/41/11/37/598411137.db2.gz LFEVCIURESWKEU-JTQLQIEISA-N -1 3 396.367 -0.043 20 0 GBADHM C[C@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ncccn1 ZINC000736155258 598411136 /nfs/dbraw/zinc/41/11/36/598411136.db2.gz LFEVCIURESWKEU-JTQLQIEISA-N -1 3 396.367 -0.043 20 0 GBADHM C[C@@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncccn1 ZINC000736155259 598410945 /nfs/dbraw/zinc/41/09/45/598410945.db2.gz LFEVCIURESWKEU-SNVBAGLBSA-N -1 3 396.367 -0.043 20 0 GBADHM C[C@@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ncccn1 ZINC000736155259 598410944 /nfs/dbraw/zinc/41/09/44/598410944.db2.gz LFEVCIURESWKEU-SNVBAGLBSA-N -1 3 396.367 -0.043 20 0 GBADHM C[C@@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCNC1=O ZINC000736156819 598411324 /nfs/dbraw/zinc/41/13/24/598411324.db2.gz XNZXNJXYRMDLNQ-SECBINFHSA-N -1 3 387.356 -0.920 20 0 GBADHM C[C@@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCNC1=O ZINC000736156819 598411322 /nfs/dbraw/zinc/41/13/22/598411322.db2.gz XNZXNJXYRMDLNQ-SECBINFHSA-N -1 3 387.356 -0.920 20 0 GBADHM C[C@H](OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCNC1=O ZINC000736156820 598411117 /nfs/dbraw/zinc/41/11/17/598411117.db2.gz XNZXNJXYRMDLNQ-VIFPVBQESA-N -1 3 387.356 -0.920 20 0 GBADHM C[C@H](OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCNC1=O ZINC000736156820 598411115 /nfs/dbraw/zinc/41/11/15/598411115.db2.gz XNZXNJXYRMDLNQ-VIFPVBQESA-N -1 3 387.356 -0.920 20 0 GBADHM C[C@@H](OC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736157849 598296731 /nfs/dbraw/zinc/29/67/31/598296731.db2.gz CWUFNYGAEGTPDX-SECBINFHSA-N -1 3 385.340 -0.301 20 0 GBADHM C[C@@H](OC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736157849 598296729 /nfs/dbraw/zinc/29/67/29/598296729.db2.gz CWUFNYGAEGTPDX-SECBINFHSA-N -1 3 385.340 -0.301 20 0 GBADHM C[C@H](OC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736157850 598296803 /nfs/dbraw/zinc/29/68/03/598296803.db2.gz CWUFNYGAEGTPDX-VIFPVBQESA-N -1 3 385.340 -0.301 20 0 GBADHM C[C@H](OC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736157850 598296801 /nfs/dbraw/zinc/29/68/01/598296801.db2.gz CWUFNYGAEGTPDX-VIFPVBQESA-N -1 3 385.340 -0.301 20 0 GBADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736159655 598758538 /nfs/dbraw/zinc/75/85/38/598758538.db2.gz NICDLYOOVPSZCA-BXKDBHETSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736159655 598758536 /nfs/dbraw/zinc/75/85/36/598758536.db2.gz NICDLYOOVPSZCA-BXKDBHETSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736159656 598758779 /nfs/dbraw/zinc/75/87/79/598758779.db2.gz NICDLYOOVPSZCA-CABZTGNLSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736159656 598758778 /nfs/dbraw/zinc/75/87/78/598758778.db2.gz NICDLYOOVPSZCA-CABZTGNLSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736159657 598758413 /nfs/dbraw/zinc/75/84/13/598758413.db2.gz NICDLYOOVPSZCA-JOYOIKCWSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736159657 598758411 /nfs/dbraw/zinc/75/84/11/598758411.db2.gz NICDLYOOVPSZCA-JOYOIKCWSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736159658 598758557 /nfs/dbraw/zinc/75/85/57/598758557.db2.gz NICDLYOOVPSZCA-SKDRFNHKSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736159658 598758555 /nfs/dbraw/zinc/75/85/55/598758555.db2.gz NICDLYOOVPSZCA-SKDRFNHKSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@@H](OC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736160237 598296541 /nfs/dbraw/zinc/29/65/41/598296541.db2.gz PZXXHYQTWJXCLD-SECBINFHSA-N -1 3 385.340 -0.301 20 0 GBADHM C[C@@H](OC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736160237 598296538 /nfs/dbraw/zinc/29/65/38/598296538.db2.gz PZXXHYQTWJXCLD-SECBINFHSA-N -1 3 385.340 -0.301 20 0 GBADHM C[C@H](OC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736160239 598296634 /nfs/dbraw/zinc/29/66/34/598296634.db2.gz PZXXHYQTWJXCLD-VIFPVBQESA-N -1 3 385.340 -0.301 20 0 GBADHM C[C@H](OC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736160239 598296632 /nfs/dbraw/zinc/29/66/32/598296632.db2.gz PZXXHYQTWJXCLD-VIFPVBQESA-N -1 3 385.340 -0.301 20 0 GBADHM C[C@@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736161088 599216197 /nfs/dbraw/zinc/21/61/97/599216197.db2.gz BURLGHCRAANTDK-SECBINFHSA-N -1 3 399.367 -0.552 20 0 GBADHM C[C@@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736161088 599216194 /nfs/dbraw/zinc/21/61/94/599216194.db2.gz BURLGHCRAANTDK-SECBINFHSA-N -1 3 399.367 -0.552 20 0 GBADHM C[C@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736161090 599216089 /nfs/dbraw/zinc/21/60/89/599216089.db2.gz BURLGHCRAANTDK-VIFPVBQESA-N -1 3 399.367 -0.552 20 0 GBADHM C[C@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736161090 599216087 /nfs/dbraw/zinc/21/60/87/599216087.db2.gz BURLGHCRAANTDK-VIFPVBQESA-N -1 3 399.367 -0.552 20 0 GBADHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736164549 598802301 /nfs/dbraw/zinc/80/23/01/598802301.db2.gz YIYXYIJIRKOCFE-BXKDBHETSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736164549 598802298 /nfs/dbraw/zinc/80/22/98/598802298.db2.gz YIYXYIJIRKOCFE-BXKDBHETSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736164550 598802182 /nfs/dbraw/zinc/80/21/82/598802182.db2.gz YIYXYIJIRKOCFE-CABZTGNLSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736164550 598802181 /nfs/dbraw/zinc/80/21/81/598802181.db2.gz YIYXYIJIRKOCFE-CABZTGNLSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736164551 598802206 /nfs/dbraw/zinc/80/22/06/598802206.db2.gz YIYXYIJIRKOCFE-JOYOIKCWSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000736164551 598802205 /nfs/dbraw/zinc/80/22/05/598802205.db2.gz YIYXYIJIRKOCFE-JOYOIKCWSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@@H](OC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736164552 598802223 /nfs/dbraw/zinc/80/22/23/598802223.db2.gz YIYXYIJIRKOCFE-SKDRFNHKSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@@H](OC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000736164552 598802222 /nfs/dbraw/zinc/80/22/22/598802222.db2.gz YIYXYIJIRKOCFE-SKDRFNHKSA-N -1 3 379.398 -0.285 20 0 GBADHM C[C@@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736164578 599215796 /nfs/dbraw/zinc/21/57/96/599215796.db2.gz YMGDOROAKFYKNR-SECBINFHSA-N -1 3 399.367 -0.552 20 0 GBADHM C[C@@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736164578 599215792 /nfs/dbraw/zinc/21/57/92/599215792.db2.gz YMGDOROAKFYKNR-SECBINFHSA-N -1 3 399.367 -0.552 20 0 GBADHM C[C@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736164580 599216289 /nfs/dbraw/zinc/21/62/89/599216289.db2.gz YMGDOROAKFYKNR-VIFPVBQESA-N -1 3 399.367 -0.552 20 0 GBADHM C[C@H](OC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736164580 599216287 /nfs/dbraw/zinc/21/62/87/599216287.db2.gz YMGDOROAKFYKNR-VIFPVBQESA-N -1 3 399.367 -0.552 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOCCS(C)(=O)=O ZINC000736167326 599090689 /nfs/dbraw/zinc/09/06/89/599090689.db2.gz FEWOEDJCXVRUIT-LLVKDONJSA-N -1 3 383.430 -0.189 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOCCS(C)(=O)=O ZINC000736167328 599090179 /nfs/dbraw/zinc/09/01/79/599090179.db2.gz FEWOEDJCXVRUIT-NSHDSACASA-N -1 3 383.430 -0.189 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000736168217 599208846 /nfs/dbraw/zinc/20/88/46/599208846.db2.gz JBEMNDGVWSTXFW-JTQLQIEISA-N -1 3 385.388 -0.048 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000736168221 599208913 /nfs/dbraw/zinc/20/89/13/599208913.db2.gz JBEMNDGVWSTXFW-SNVBAGLBSA-N -1 3 385.388 -0.048 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000736169893 598925070 /nfs/dbraw/zinc/92/50/70/598925070.db2.gz MYRYMMWKVDULFL-GWCFXTLKSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000736169894 598925294 /nfs/dbraw/zinc/92/52/94/598925294.db2.gz MYRYMMWKVDULFL-GXFFZTMASA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000736169895 598925089 /nfs/dbraw/zinc/92/50/89/598925089.db2.gz MYRYMMWKVDULFL-MFKMUULPSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000736169896 598925222 /nfs/dbraw/zinc/92/52/22/598925222.db2.gz MYRYMMWKVDULFL-ZWNOBZJWSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736169905 599201671 /nfs/dbraw/zinc/20/16/71/599201671.db2.gz NABUFIXIQLDFAJ-CMPLNLGQSA-N -1 3 380.430 -0.216 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736169906 599201952 /nfs/dbraw/zinc/20/19/52/599201952.db2.gz NABUFIXIQLDFAJ-JQWIXIFHSA-N -1 3 380.430 -0.216 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736169907 599201432 /nfs/dbraw/zinc/20/14/32/599201432.db2.gz NABUFIXIQLDFAJ-PWSUYJOCSA-N -1 3 380.430 -0.216 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736169908 599201877 /nfs/dbraw/zinc/20/18/77/599201877.db2.gz NABUFIXIQLDFAJ-ZYHUDNBSSA-N -1 3 380.430 -0.216 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000736170372 598894432 /nfs/dbraw/zinc/89/44/32/598894432.db2.gz PQRGDLBPXSEOLJ-CMPLNLGQSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000736170375 598894274 /nfs/dbraw/zinc/89/42/74/598894274.db2.gz PQRGDLBPXSEOLJ-JQWIXIFHSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000736170377 598894407 /nfs/dbraw/zinc/89/44/07/598894407.db2.gz PQRGDLBPXSEOLJ-PWSUYJOCSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000736170379 598894499 /nfs/dbraw/zinc/89/44/99/598894499.db2.gz PQRGDLBPXSEOLJ-ZYHUDNBSSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC000736170614 598564838 /nfs/dbraw/zinc/56/48/38/598564838.db2.gz QTIJOLHDSHJEJD-JTQLQIEISA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(S(N)(=O)=O)CC1 ZINC000736170617 598564843 /nfs/dbraw/zinc/56/48/43/598564843.db2.gz QTIJOLHDSHJEJD-SNVBAGLBSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000736170889 598516073 /nfs/dbraw/zinc/51/60/73/598516073.db2.gz YWDITWFTGOZSQV-LLVKDONJSA-N -1 3 398.445 -0.085 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000736170897 598515690 /nfs/dbraw/zinc/51/56/90/598515690.db2.gz YWDITWFTGOZSQV-NSHDSACASA-N -1 3 398.445 -0.085 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000736179888 598894587 /nfs/dbraw/zinc/89/45/87/598894587.db2.gz GIEVSWBTCHHIJK-GHMZBOCLSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000736179888 598894586 /nfs/dbraw/zinc/89/45/86/598894586.db2.gz GIEVSWBTCHHIJK-GHMZBOCLSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000736179893 598894357 /nfs/dbraw/zinc/89/43/57/598894357.db2.gz GIEVSWBTCHHIJK-MNOVXSKESA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000736179893 598894355 /nfs/dbraw/zinc/89/43/55/598894355.db2.gz GIEVSWBTCHHIJK-MNOVXSKESA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000736179897 598894265 /nfs/dbraw/zinc/89/42/65/598894265.db2.gz GIEVSWBTCHHIJK-QWRGUYRKSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000736179897 598894263 /nfs/dbraw/zinc/89/42/63/598894263.db2.gz GIEVSWBTCHHIJK-QWRGUYRKSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000736179907 598894312 /nfs/dbraw/zinc/89/43/12/598894312.db2.gz GIEVSWBTCHHIJK-WDEREUQCSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000736179907 598894311 /nfs/dbraw/zinc/89/43/11/598894311.db2.gz GIEVSWBTCHHIJK-WDEREUQCSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736181576 599204342 /nfs/dbraw/zinc/20/43/42/599204342.db2.gz KUNLFZQYBZVEHG-GHMZBOCLSA-N -1 3 380.430 -0.216 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736181576 599204340 /nfs/dbraw/zinc/20/43/40/599204340.db2.gz KUNLFZQYBZVEHG-GHMZBOCLSA-N -1 3 380.430 -0.216 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736181578 599204298 /nfs/dbraw/zinc/20/42/98/599204298.db2.gz KUNLFZQYBZVEHG-MNOVXSKESA-N -1 3 380.430 -0.216 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736181578 599204296 /nfs/dbraw/zinc/20/42/96/599204296.db2.gz KUNLFZQYBZVEHG-MNOVXSKESA-N -1 3 380.430 -0.216 20 0 GBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736181580 599204211 /nfs/dbraw/zinc/20/42/11/599204211.db2.gz KUNLFZQYBZVEHG-QWRGUYRKSA-N -1 3 380.430 -0.216 20 0 GBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736181580 599204210 /nfs/dbraw/zinc/20/42/10/599204210.db2.gz KUNLFZQYBZVEHG-QWRGUYRKSA-N -1 3 380.430 -0.216 20 0 GBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736181582 599204586 /nfs/dbraw/zinc/20/45/86/599204586.db2.gz KUNLFZQYBZVEHG-WDEREUQCSA-N -1 3 380.430 -0.216 20 0 GBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736181582 599204583 /nfs/dbraw/zinc/20/45/83/599204583.db2.gz KUNLFZQYBZVEHG-WDEREUQCSA-N -1 3 380.430 -0.216 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000736182342 598925105 /nfs/dbraw/zinc/92/51/05/598925105.db2.gz NNVDKKCCAIEWTN-GHMZBOCLSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000736182342 598925103 /nfs/dbraw/zinc/92/51/03/598925103.db2.gz NNVDKKCCAIEWTN-GHMZBOCLSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000736182344 598925177 /nfs/dbraw/zinc/92/51/77/598925177.db2.gz NNVDKKCCAIEWTN-MNOVXSKESA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000736182344 598925175 /nfs/dbraw/zinc/92/51/75/598925175.db2.gz NNVDKKCCAIEWTN-MNOVXSKESA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000736182346 598925060 /nfs/dbraw/zinc/92/50/60/598925060.db2.gz NNVDKKCCAIEWTN-QWRGUYRKSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000736182346 598925059 /nfs/dbraw/zinc/92/50/59/598925059.db2.gz NNVDKKCCAIEWTN-QWRGUYRKSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000736182347 598925133 /nfs/dbraw/zinc/92/51/33/598925133.db2.gz NNVDKKCCAIEWTN-WDEREUQCSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000736182347 598925131 /nfs/dbraw/zinc/92/51/31/598925131.db2.gz NNVDKKCCAIEWTN-WDEREUQCSA-N -1 3 380.430 -0.087 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCOCCS(C)(=O)=O ZINC000736184878 599090496 /nfs/dbraw/zinc/09/04/96/599090496.db2.gz OSYHSIJGYHBRII-LLVKDONJSA-N -1 3 383.430 -0.189 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCOCCS(C)(=O)=O ZINC000736184878 599090494 /nfs/dbraw/zinc/09/04/94/599090494.db2.gz OSYHSIJGYHBRII-LLVKDONJSA-N -1 3 383.430 -0.189 20 0 GBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCOCCS(C)(=O)=O ZINC000736184879 599090240 /nfs/dbraw/zinc/09/02/40/599090240.db2.gz OSYHSIJGYHBRII-NSHDSACASA-N -1 3 383.430 -0.189 20 0 GBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCOCCS(C)(=O)=O ZINC000736184879 599090237 /nfs/dbraw/zinc/09/02/37/599090237.db2.gz OSYHSIJGYHBRII-NSHDSACASA-N -1 3 383.430 -0.189 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000736186211 598556919 /nfs/dbraw/zinc/55/69/19/598556919.db2.gz XVBWEZLTLQLWFZ-CYBMUJFWSA-N -1 3 387.444 -0.086 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000736186211 598556918 /nfs/dbraw/zinc/55/69/18/598556918.db2.gz XVBWEZLTLQLWFZ-CYBMUJFWSA-N -1 3 387.444 -0.086 20 0 GBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000736186213 598556929 /nfs/dbraw/zinc/55/69/29/598556929.db2.gz XVBWEZLTLQLWFZ-ZDUSSCGKSA-N -1 3 387.444 -0.086 20 0 GBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCC(=O)N1CCN(C)CC1 ZINC000736186213 598556928 /nfs/dbraw/zinc/55/69/28/598556928.db2.gz XVBWEZLTLQLWFZ-ZDUSSCGKSA-N -1 3 387.444 -0.086 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000736186366 598515579 /nfs/dbraw/zinc/51/55/79/598515579.db2.gz AEWMNHLCKSEQDQ-LLVKDONJSA-N -1 3 398.445 -0.085 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000736186366 598515577 /nfs/dbraw/zinc/51/55/77/598515577.db2.gz AEWMNHLCKSEQDQ-LLVKDONJSA-N -1 3 398.445 -0.085 20 0 GBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000736186367 598515917 /nfs/dbraw/zinc/51/59/17/598515917.db2.gz AEWMNHLCKSEQDQ-NSHDSACASA-N -1 3 398.445 -0.085 20 0 GBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCCN(C)S(=O)(=O)N(C)C ZINC000736186367 598515916 /nfs/dbraw/zinc/51/59/16/598515916.db2.gz AEWMNHLCKSEQDQ-NSHDSACASA-N -1 3 398.445 -0.085 20 0 GBADHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000736188418 599209422 /nfs/dbraw/zinc/20/94/22/599209422.db2.gz NTKPFKDFUOUZOE-JTQLQIEISA-N -1 3 385.388 -0.048 20 0 GBADHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000736188418 599209421 /nfs/dbraw/zinc/20/94/21/599209421.db2.gz NTKPFKDFUOUZOE-JTQLQIEISA-N -1 3 385.388 -0.048 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000736188419 599208909 /nfs/dbraw/zinc/20/89/09/599208909.db2.gz NTKPFKDFUOUZOE-SNVBAGLBSA-N -1 3 385.388 -0.048 20 0 GBADHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000736188419 599208907 /nfs/dbraw/zinc/20/89/07/599208907.db2.gz NTKPFKDFUOUZOE-SNVBAGLBSA-N -1 3 385.388 -0.048 20 0 GBADHM C[C@@H](Sc1nnnn1C1CC1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736196007 598294524 /nfs/dbraw/zinc/29/45/24/598294524.db2.gz ISERPYHJEGAFIF-SSDOTTSWSA-N -1 3 391.421 -0.309 20 0 GBADHM C[C@@H](Sc1nnnn1C1CC1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736196007 598294523 /nfs/dbraw/zinc/29/45/23/598294523.db2.gz ISERPYHJEGAFIF-SSDOTTSWSA-N -1 3 391.421 -0.309 20 0 GBADHM C[C@H](Sc1nnnn1C1CC1)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736196008 598294433 /nfs/dbraw/zinc/29/44/33/598294433.db2.gz ISERPYHJEGAFIF-ZETCQYMHSA-N -1 3 391.421 -0.309 20 0 GBADHM C[C@H](Sc1nnnn1C1CC1)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736196008 598294431 /nfs/dbraw/zinc/29/44/31/598294431.db2.gz ISERPYHJEGAFIF-ZETCQYMHSA-N -1 3 391.421 -0.309 20 0 GBADHM C[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000736197228 599307712 /nfs/dbraw/zinc/30/77/12/599307712.db2.gz LXRSWLNSOYWTAI-AWEZNQCLSA-N -1 3 399.455 -0.069 20 0 GBADHM C[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000736197228 599307710 /nfs/dbraw/zinc/30/77/10/599307710.db2.gz LXRSWLNSOYWTAI-AWEZNQCLSA-N -1 3 399.455 -0.069 20 0 GBADHM C[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000736197230 599307376 /nfs/dbraw/zinc/30/73/76/599307376.db2.gz LXRSWLNSOYWTAI-CQSZACIVSA-N -1 3 399.455 -0.069 20 0 GBADHM C[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000736197230 599307373 /nfs/dbraw/zinc/30/73/73/599307373.db2.gz LXRSWLNSOYWTAI-CQSZACIVSA-N -1 3 399.455 -0.069 20 0 GBADHM CC1(C)C(=O)N(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C(=O)N1CC(N)=O ZINC000736203226 599339546 /nfs/dbraw/zinc/33/95/46/599339546.db2.gz BTGNGRXBLCTCKK-UHFFFAOYSA-N -1 3 386.372 -0.667 20 0 GBADHM CC1(C)C(=O)N(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C(=O)N1CC(N)=O ZINC000736203226 599339543 /nfs/dbraw/zinc/33/95/43/599339543.db2.gz BTGNGRXBLCTCKK-UHFFFAOYSA-N -1 3 386.372 -0.667 20 0 GBADHM CC1(C)C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736204354 598687945 /nfs/dbraw/zinc/68/79/45/598687945.db2.gz FAKBTMOHDYCRTQ-UHFFFAOYSA-N -1 3 381.400 -0.015 20 0 GBADHM CC1(C)C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736204354 598687943 /nfs/dbraw/zinc/68/79/43/598687943.db2.gz FAKBTMOHDYCRTQ-UHFFFAOYSA-N -1 3 381.400 -0.015 20 0 GBADHM C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000736206707 599980033 /nfs/dbraw/zinc/98/00/33/599980033.db2.gz XSWYPBIOCMNBFJ-HNNXBMFYSA-N -1 3 380.489 -0.062 20 0 GBADHM C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000736206708 599980228 /nfs/dbraw/zinc/98/02/28/599980228.db2.gz XSWYPBIOCMNBFJ-OAHLLOKOSA-N -1 3 380.489 -0.062 20 0 GBADHM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000736206964 599349676 /nfs/dbraw/zinc/34/96/76/599349676.db2.gz PKXYZYDPBDLRGO-UHFFFAOYSA-N -1 3 399.415 -0.759 20 0 GBADHM CC1(C)C(=O)NC(=O)N1CC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000736206964 599349674 /nfs/dbraw/zinc/34/96/74/599349674.db2.gz PKXYZYDPBDLRGO-UHFFFAOYSA-N -1 3 399.415 -0.759 20 0 GBADHM CC1(C)C(=O)NC(=O)N1CC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736208034 599365533 /nfs/dbraw/zinc/36/55/33/599365533.db2.gz URVQEBZJIGZPJL-UHFFFAOYSA-N -1 3 387.356 -0.321 20 0 GBADHM CC1(C)C(=O)NC(=O)N1CC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736208034 599365530 /nfs/dbraw/zinc/36/55/30/599365530.db2.gz URVQEBZJIGZPJL-UHFFFAOYSA-N -1 3 387.356 -0.321 20 0 GBADHM CC1(C)CN(CCNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736213133 598405722 /nfs/dbraw/zinc/40/57/22/598405722.db2.gz IAVAOBRCSZTDAT-UHFFFAOYSA-N -1 3 387.444 -0.177 20 0 GBADHM CC1(C)CN(CCNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736213133 598405720 /nfs/dbraw/zinc/40/57/20/598405720.db2.gz IAVAOBRCSZTDAT-UHFFFAOYSA-N -1 3 387.444 -0.177 20 0 GBADHM CC1(C)NC(=O)N(CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)C1=O ZINC000736213343 599294200 /nfs/dbraw/zinc/29/42/00/599294200.db2.gz GZNNSZRCOVSZJJ-UHFFFAOYSA-N -1 3 377.390 -0.562 20 0 GBADHM CC1(C)NC(=O)N(CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)C1=O ZINC000736213343 599294197 /nfs/dbraw/zinc/29/41/97/599294197.db2.gz GZNNSZRCOVSZJJ-UHFFFAOYSA-N -1 3 377.390 -0.562 20 0 GBADHM CC1(C)COCCN1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736214688 598618433 /nfs/dbraw/zinc/61/84/33/598618433.db2.gz PKZQIPLGGLANED-UHFFFAOYSA-N -1 3 387.444 -0.177 20 0 GBADHM CC1(C)COCCN1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736214688 598618431 /nfs/dbraw/zinc/61/84/31/598618431.db2.gz PKZQIPLGGLANED-UHFFFAOYSA-N -1 3 387.444 -0.177 20 0 GBADHM CC1(C)NC(=O)N(CC(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736214845 599107774 /nfs/dbraw/zinc/10/77/74/599107774.db2.gz QYVOSZBMJFPJHV-LLVKDONJSA-N -1 3 387.356 -0.733 20 0 GBADHM CC1(C)NC(=O)N(CC(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736214845 599107772 /nfs/dbraw/zinc/10/77/72/599107772.db2.gz QYVOSZBMJFPJHV-LLVKDONJSA-N -1 3 387.356 -0.733 20 0 GBADHM CC1(C)NC(=O)N(CC(=O)O[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736214848 599108021 /nfs/dbraw/zinc/10/80/21/599108021.db2.gz QYVOSZBMJFPJHV-NSHDSACASA-N -1 3 387.356 -0.733 20 0 GBADHM CC1(C)NC(=O)N(CC(=O)O[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736214848 599108019 /nfs/dbraw/zinc/10/80/19/599108019.db2.gz QYVOSZBMJFPJHV-NSHDSACASA-N -1 3 387.356 -0.733 20 0 GBADHM CC1(C)NC(=O)N(CCCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1=O ZINC000736215426 598605354 /nfs/dbraw/zinc/60/53/54/598605354.db2.gz XQXOAKIMSSUEEH-UHFFFAOYSA-N -1 3 391.392 -0.701 20 0 GBADHM CC1(C)NC(=O)N(CCCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1=O ZINC000736215426 598605353 /nfs/dbraw/zinc/60/53/53/598605353.db2.gz XQXOAKIMSSUEEH-UHFFFAOYSA-N -1 3 391.392 -0.701 20 0 GBADHM C[C@]1(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCS(=O)(=O)C1 ZINC000736215785 598399852 /nfs/dbraw/zinc/39/98/52/598399852.db2.gz AVUYUFGPVINNBC-HNNXBMFYSA-N -1 3 378.414 -0.710 20 0 GBADHM C[C@]1(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCS(=O)(=O)C1 ZINC000736215785 598399851 /nfs/dbraw/zinc/39/98/51/598399851.db2.gz AVUYUFGPVINNBC-HNNXBMFYSA-N -1 3 378.414 -0.710 20 0 GBADHM C[C@@]1(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCS(=O)(=O)C1 ZINC000736215786 598399625 /nfs/dbraw/zinc/39/96/25/598399625.db2.gz AVUYUFGPVINNBC-OAHLLOKOSA-N -1 3 378.414 -0.710 20 0 GBADHM C[C@@]1(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCS(=O)(=O)C1 ZINC000736215786 598399624 /nfs/dbraw/zinc/39/96/24/598399624.db2.gz AVUYUFGPVINNBC-OAHLLOKOSA-N -1 3 378.414 -0.710 20 0 GBADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCC(C(N)=O)CC2)C1=O ZINC000736222059 598232870 /nfs/dbraw/zinc/23/28/70/598232870.db2.gz DCLAMEIXPHLRAE-GOSISDBHSA-N -1 3 398.427 -0.212 20 0 GBADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCC(C(N)=O)CC2)C1=O ZINC000736222059 598232868 /nfs/dbraw/zinc/23/28/68/598232868.db2.gz DCLAMEIXPHLRAE-GOSISDBHSA-N -1 3 398.427 -0.212 20 0 GBADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCC(C(N)=O)CC2)C1=O ZINC000736222062 598232766 /nfs/dbraw/zinc/23/27/66/598232766.db2.gz DCLAMEIXPHLRAE-SFHVURJKSA-N -1 3 398.427 -0.212 20 0 GBADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCC(C(N)=O)CC2)C1=O ZINC000736222062 598232764 /nfs/dbraw/zinc/23/27/64/598232764.db2.gz DCLAMEIXPHLRAE-SFHVURJKSA-N -1 3 398.427 -0.212 20 0 GBADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736222325 599496241 /nfs/dbraw/zinc/49/62/41/599496241.db2.gz CIKPYCIENXWZSR-PYCNNQBISA-N -1 3 376.442 -0.036 20 0 GBADHM C[C@@H]1[C@H](C)[S@](=O)CCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736222325 599496240 /nfs/dbraw/zinc/49/62/40/599496240.db2.gz CIKPYCIENXWZSR-PYCNNQBISA-N -1 3 376.442 -0.036 20 0 GBADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736222327 599496053 /nfs/dbraw/zinc/49/60/53/599496053.db2.gz CIKPYCIENXWZSR-HGXOIEIDSA-N -1 3 376.442 -0.036 20 0 GBADHM C[C@@H]1[C@@H](C)[S@](=O)CCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736222327 599496052 /nfs/dbraw/zinc/49/60/52/599496052.db2.gz CIKPYCIENXWZSR-HGXOIEIDSA-N -1 3 376.442 -0.036 20 0 GBADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736222329 599496629 /nfs/dbraw/zinc/49/66/29/599496629.db2.gz CIKPYCIENXWZSR-KDHKCVMQSA-N -1 3 376.442 -0.036 20 0 GBADHM C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736222329 599496627 /nfs/dbraw/zinc/49/66/27/599496627.db2.gz CIKPYCIENXWZSR-KDHKCVMQSA-N -1 3 376.442 -0.036 20 0 GBADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736222330 599496194 /nfs/dbraw/zinc/49/61/94/599496194.db2.gz CIKPYCIENXWZSR-FEEKEVSISA-N -1 3 376.442 -0.036 20 0 GBADHM C[C@@H]1[C@H](C)[S@@](=O)CCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736222330 599496192 /nfs/dbraw/zinc/49/61/92/599496192.db2.gz CIKPYCIENXWZSR-FEEKEVSISA-N -1 3 376.442 -0.036 20 0 GBADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCNC(=O)CC2)C1=O ZINC000736222494 598232630 /nfs/dbraw/zinc/23/26/30/598232630.db2.gz HTGKIDQCGLVEMD-KRWDZBQOSA-N -1 3 384.400 -0.587 20 0 GBADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCNC(=O)CC2)C1=O ZINC000736222494 598232629 /nfs/dbraw/zinc/23/26/29/598232629.db2.gz HTGKIDQCGLVEMD-KRWDZBQOSA-N -1 3 384.400 -0.587 20 0 GBADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CN2CCNC(=O)CC2)C1=O ZINC000736222495 598232610 /nfs/dbraw/zinc/23/26/10/598232610.db2.gz HTGKIDQCGLVEMD-QGZVFWFLSA-N -1 3 384.400 -0.587 20 0 GBADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CN2CCNC(=O)CC2)C1=O ZINC000736222495 598232609 /nfs/dbraw/zinc/23/26/09/598232609.db2.gz HTGKIDQCGLVEMD-QGZVFWFLSA-N -1 3 384.400 -0.587 20 0 GBADHM C[C@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)NC2CCOCC2)C1=O ZINC000736222799 598537571 /nfs/dbraw/zinc/53/75/71/598537571.db2.gz KPHNULIMEJNRIP-GOSISDBHSA-N -1 3 399.411 -0.071 20 0 GBADHM C[C@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)NC2CCOCC2)C1=O ZINC000736222799 598537569 /nfs/dbraw/zinc/53/75/69/598537569.db2.gz KPHNULIMEJNRIP-GOSISDBHSA-N -1 3 399.411 -0.071 20 0 GBADHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(CC(=O)NC2CCOCC2)C1=O ZINC000736222802 598537520 /nfs/dbraw/zinc/53/75/20/598537520.db2.gz KPHNULIMEJNRIP-SFHVURJKSA-N -1 3 399.411 -0.071 20 0 GBADHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(CC(=O)NC2CCOCC2)C1=O ZINC000736222802 598537518 /nfs/dbraw/zinc/53/75/18/598537518.db2.gz KPHNULIMEJNRIP-SFHVURJKSA-N -1 3 399.411 -0.071 20 0 GBADHM C[C@@]1(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCS(=O)(=O)C1 ZINC000736223105 598686196 /nfs/dbraw/zinc/68/61/96/598686196.db2.gz MTTXJHFKNJEERI-GFCCVEGCSA-N -1 3 375.407 -0.139 20 0 GBADHM C[C@@]1(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCS(=O)(=O)C1 ZINC000736223105 598686195 /nfs/dbraw/zinc/68/61/95/598686195.db2.gz MTTXJHFKNJEERI-GFCCVEGCSA-N -1 3 375.407 -0.139 20 0 GBADHM C[C@]1(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCS(=O)(=O)C1 ZINC000736223107 598686553 /nfs/dbraw/zinc/68/65/53/598686553.db2.gz MTTXJHFKNJEERI-LBPRGKRZSA-N -1 3 375.407 -0.139 20 0 GBADHM C[C@]1(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCS(=O)(=O)C1 ZINC000736223107 598686551 /nfs/dbraw/zinc/68/65/51/598686551.db2.gz MTTXJHFKNJEERI-LBPRGKRZSA-N -1 3 375.407 -0.139 20 0 GBADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CC(=O)NC2CCOCC2)C1=O ZINC000736225095 598537197 /nfs/dbraw/zinc/53/71/97/598537197.db2.gz VNROLDLSLUYPOO-GOSISDBHSA-N -1 3 399.411 -0.071 20 0 GBADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CC(=O)NC2CCOCC2)C1=O ZINC000736225095 598537195 /nfs/dbraw/zinc/53/71/95/598537195.db2.gz VNROLDLSLUYPOO-GOSISDBHSA-N -1 3 399.411 -0.071 20 0 GBADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(CC(=O)NC2CCOCC2)C1=O ZINC000736225098 598537459 /nfs/dbraw/zinc/53/74/59/598537459.db2.gz VNROLDLSLUYPOO-SFHVURJKSA-N -1 3 399.411 -0.071 20 0 GBADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(CC(=O)NC2CCOCC2)C1=O ZINC000736225098 598537457 /nfs/dbraw/zinc/53/74/57/598537457.db2.gz VNROLDLSLUYPOO-SFHVURJKSA-N -1 3 399.411 -0.071 20 0 GBADHM C[C@@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(Cc2nc(N)nc(N)n2)C1=O ZINC000736225488 598249268 /nfs/dbraw/zinc/24/92/68/598249268.db2.gz YTVHIBHGZHSLIC-HNNXBMFYSA-N -1 3 381.360 -0.817 20 0 GBADHM C[C@@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(Cc2nc(N)nc(N)n2)C1=O ZINC000736225488 598249267 /nfs/dbraw/zinc/24/92/67/598249267.db2.gz YTVHIBHGZHSLIC-HNNXBMFYSA-N -1 3 381.360 -0.817 20 0 GBADHM C[C@]1(c2cccc(-c3nn[n-]n3)c2)NC(=O)N(Cc2nc(N)nc(N)n2)C1=O ZINC000736225493 598249043 /nfs/dbraw/zinc/24/90/43/598249043.db2.gz YTVHIBHGZHSLIC-OAHLLOKOSA-N -1 3 381.360 -0.817 20 0 GBADHM C[C@]1(c2cccc(-c3nnn[n-]3)c2)NC(=O)N(Cc2nc(N)nc(N)n2)C1=O ZINC000736225493 598249041 /nfs/dbraw/zinc/24/90/41/598249041.db2.gz YTVHIBHGZHSLIC-OAHLLOKOSA-N -1 3 381.360 -0.817 20 0 GBADHM C[C@H]1CC(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736227084 599243078 /nfs/dbraw/zinc/24/30/78/599243078.db2.gz ZAEUPXRRVQRPTK-JTQLQIEISA-N -1 3 381.400 -0.015 20 0 GBADHM C[C@H]1CC(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736227084 599243077 /nfs/dbraw/zinc/24/30/77/599243077.db2.gz ZAEUPXRRVQRPTK-JTQLQIEISA-N -1 3 381.400 -0.015 20 0 GBADHM C[C@@H]1CC(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 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KBZQNLQLYUQHAU-OTYXRUKQSA-N -1 3 378.418 -0.357 20 0 GBADHM C[C@]12CCC(=O)N1[C@H](C(=O)OCCn1ncc(-c3nn[n-]n3)c1N)CS2 ZINC000736229128 598605667 /nfs/dbraw/zinc/60/56/67/598605667.db2.gz KBZQNLQLYUQHAU-XPTSAGLGSA-N -1 3 378.418 -0.357 20 0 GBADHM C[C@]12CCC(=O)N1[C@H](C(=O)OCCn1ncc(-c3nnn[n-]3)c1N)CS2 ZINC000736229128 598605666 /nfs/dbraw/zinc/60/56/66/598605666.db2.gz KBZQNLQLYUQHAU-XPTSAGLGSA-N -1 3 378.418 -0.357 20 0 GBADHM C[C@@]12CCC(=O)N1[C@@H](C(=O)OCCn1ncc(-c3nn[n-]n3)c1N)CS2 ZINC000736229129 598605449 /nfs/dbraw/zinc/60/54/49/598605449.db2.gz KBZQNLQLYUQHAU-YMTOWFKASA-N -1 3 378.418 -0.357 20 0 GBADHM C[C@@]12CCC(=O)N1[C@@H](C(=O)OCCn1ncc(-c3nnn[n-]3)c1N)CS2 ZINC000736229129 598605448 /nfs/dbraw/zinc/60/54/48/598605448.db2.gz KBZQNLQLYUQHAU-YMTOWFKASA-N -1 3 378.418 -0.357 20 0 GBADHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736229217 599494374 /nfs/dbraw/zinc/49/43/74/599494374.db2.gz MGXJJXOKHBPSIS-GHMZBOCLSA-N -1 3 392.441 -0.370 20 0 GBADHM 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C[C@@H]1[C@H](C)N(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736229220 599494457 /nfs/dbraw/zinc/49/44/57/599494457.db2.gz MGXJJXOKHBPSIS-WDEREUQCSA-N -1 3 392.441 -0.370 20 0 GBADHM C[C@@H]1[C@H](C)N(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736229220 599494455 /nfs/dbraw/zinc/49/44/55/599494455.db2.gz MGXJJXOKHBPSIS-WDEREUQCSA-N -1 3 392.441 -0.370 20 0 GBADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736229603 599446750 /nfs/dbraw/zinc/44/67/50/599446750.db2.gz OFLTZPNXSNSGHR-NEPJUHHUSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000736229603 599446746 /nfs/dbraw/zinc/44/67/46/599446746.db2.gz OFLTZPNXSNSGHR-NEPJUHHUSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@@H]1[C@H](C)N(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736229604 599446536 /nfs/dbraw/zinc/44/65/36/599446536.db2.gz OFLTZPNXSNSGHR-NWDGAFQWSA-N -1 3 378.458 -0.010 20 0 GBADHM 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ZINC000736278134 598907763 /nfs/dbraw/zinc/90/77/63/598907763.db2.gz FKHHWITVMXCTAL-MRVPVSSYSA-N -1 3 382.377 -0.410 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000736278137 598908119 /nfs/dbraw/zinc/90/81/19/598908119.db2.gz FKHHWITVMXCTAL-QMMMGPOBSA-N -1 3 382.377 -0.410 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736278137 598908118 /nfs/dbraw/zinc/90/81/18/598908118.db2.gz FKHHWITVMXCTAL-QMMMGPOBSA-N -1 3 382.377 -0.410 20 0 GBADHM C[C@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000736278770 599299970 /nfs/dbraw/zinc/29/99/70/599299970.db2.gz IJMFATDWJXUOFH-BBRMVZONSA-N -1 3 399.455 -0.224 20 0 GBADHM C[C@H]1CN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1N1CCOCC1 ZINC000736278770 599299969 /nfs/dbraw/zinc/29/99/69/599299969.db2.gz IJMFATDWJXUOFH-BBRMVZONSA-N -1 3 399.455 -0.224 20 0 GBADHM C[C@@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000736278771 599301150 /nfs/dbraw/zinc/30/11/50/599301150.db2.gz IJMFATDWJXUOFH-CJNGLKHVSA-N -1 3 399.455 -0.224 20 0 GBADHM C[C@@H]1CN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1N1CCOCC1 ZINC000736278771 599301147 /nfs/dbraw/zinc/30/11/47/599301147.db2.gz IJMFATDWJXUOFH-CJNGLKHVSA-N -1 3 399.455 -0.224 20 0 GBADHM C[C@@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000736278772 599301231 /nfs/dbraw/zinc/30/12/31/599301231.db2.gz IJMFATDWJXUOFH-CZUORRHYSA-N -1 3 399.455 -0.224 20 0 GBADHM C[C@@H]1CN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1N1CCOCC1 ZINC000736278772 599301228 /nfs/dbraw/zinc/30/12/28/599301228.db2.gz IJMFATDWJXUOFH-CZUORRHYSA-N -1 3 399.455 -0.224 20 0 GBADHM C[C@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000736278773 599301100 /nfs/dbraw/zinc/30/11/00/599301100.db2.gz IJMFATDWJXUOFH-XJKSGUPXSA-N -1 3 399.455 -0.224 20 0 GBADHM C[C@H]1CN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1N1CCOCC1 ZINC000736278773 599301097 /nfs/dbraw/zinc/30/10/97/599301097.db2.gz IJMFATDWJXUOFH-XJKSGUPXSA-N -1 3 399.455 -0.224 20 0 GBADHM C[C@@H]1CN(C(=O)COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736280245 598409177 /nfs/dbraw/zinc/40/91/77/598409177.db2.gz MPJSWOUTTCPDHH-LLVKDONJSA-N -1 3 388.384 -0.613 20 0 GBADHM C[C@@H]1CN(C(=O)COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736280245 598409175 /nfs/dbraw/zinc/40/91/75/598409175.db2.gz MPJSWOUTTCPDHH-LLVKDONJSA-N -1 3 388.384 -0.613 20 0 GBADHM C[C@H]1CN(C(=O)COC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000736280247 598409193 /nfs/dbraw/zinc/40/91/93/598409193.db2.gz MPJSWOUTTCPDHH-NSHDSACASA-N -1 3 388.384 -0.613 20 0 GBADHM C[C@H]1CN(C(=O)COC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000736280247 598409191 /nfs/dbraw/zinc/40/91/91/598409191.db2.gz MPJSWOUTTCPDHH-NSHDSACASA-N -1 3 388.384 -0.613 20 0 GBADHM C[C@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736280440 599603874 /nfs/dbraw/zinc/60/38/74/599603874.db2.gz NXVHJWMARBABIV-JTQLQIEISA-N -1 3 378.414 -0.758 20 0 GBADHM C[C@H]1CN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736280440 599603872 /nfs/dbraw/zinc/60/38/72/599603872.db2.gz NXVHJWMARBABIV-JTQLQIEISA-N -1 3 378.414 -0.758 20 0 GBADHM C[C@@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000736280441 599603752 /nfs/dbraw/zinc/60/37/52/599603752.db2.gz NXVHJWMARBABIV-SNVBAGLBSA-N -1 3 378.414 -0.758 20 0 GBADHM C[C@@H]1CN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000736280441 599603750 /nfs/dbraw/zinc/60/37/50/599603750.db2.gz NXVHJWMARBABIV-SNVBAGLBSA-N -1 3 378.414 -0.758 20 0 GBADHM C[C@H]1CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCS1(=O)=O ZINC000736281102 599600514 /nfs/dbraw/zinc/60/05/14/599600514.db2.gz QMUUYYSRJUBASZ-JTQLQIEISA-N -1 3 380.434 -0.498 20 0 GBADHM C[C@H]1CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCS1(=O)=O ZINC000736281102 599600512 /nfs/dbraw/zinc/60/05/12/599600512.db2.gz QMUUYYSRJUBASZ-JTQLQIEISA-N -1 3 380.434 -0.498 20 0 GBADHM C[C@@H]1CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCS1(=O)=O ZINC000736281103 599600630 /nfs/dbraw/zinc/60/06/30/599600630.db2.gz QMUUYYSRJUBASZ-SNVBAGLBSA-N -1 3 380.434 -0.498 20 0 GBADHM C[C@@H]1CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCS1(=O)=O ZINC000736281103 599600628 /nfs/dbraw/zinc/60/06/28/599600628.db2.gz QMUUYYSRJUBASZ-SNVBAGLBSA-N -1 3 380.434 -0.498 20 0 GBADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000736284754 598639443 /nfs/dbraw/zinc/63/94/43/598639443.db2.gz FMDLONGMGYPKHK-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000736284754 598639441 /nfs/dbraw/zinc/63/94/41/598639441.db2.gz FMDLONGMGYPKHK-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000736284755 598639802 /nfs/dbraw/zinc/63/98/02/598639802.db2.gz FMDLONGMGYPKHK-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000736284755 598639800 /nfs/dbraw/zinc/63/98/00/598639800.db2.gz FMDLONGMGYPKHK-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736285182 599029676 /nfs/dbraw/zinc/02/96/76/599029676.db2.gz JAQFBNVLIAMNGU-DZGCQCFKSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736285182 599029674 /nfs/dbraw/zinc/02/96/74/599029674.db2.gz JAQFBNVLIAMNGU-DZGCQCFKSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736285183 599029759 /nfs/dbraw/zinc/02/97/59/599029759.db2.gz JAQFBNVLIAMNGU-HIFRSBDPSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736285183 599029756 /nfs/dbraw/zinc/02/97/56/599029756.db2.gz JAQFBNVLIAMNGU-HIFRSBDPSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736285184 599029834 /nfs/dbraw/zinc/02/98/34/599029834.db2.gz JAQFBNVLIAMNGU-UKRRQHHQSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736285184 599029832 /nfs/dbraw/zinc/02/98/32/599029832.db2.gz JAQFBNVLIAMNGU-UKRRQHHQSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736285185 599029396 /nfs/dbraw/zinc/02/93/96/599029396.db2.gz JAQFBNVLIAMNGU-ZFWWWQNUSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736285185 599029394 /nfs/dbraw/zinc/02/93/94/599029394.db2.gz JAQFBNVLIAMNGU-ZFWWWQNUSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736286106 598464870 /nfs/dbraw/zinc/46/48/70/598464870.db2.gz LYKJFNJYDISSDY-DZGCQCFKSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736286106 598464868 /nfs/dbraw/zinc/46/48/68/598464868.db2.gz LYKJFNJYDISSDY-DZGCQCFKSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736286110 598464653 /nfs/dbraw/zinc/46/46/53/598464653.db2.gz LYKJFNJYDISSDY-HIFRSBDPSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736286110 598464651 /nfs/dbraw/zinc/46/46/51/598464651.db2.gz LYKJFNJYDISSDY-HIFRSBDPSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736286113 598464571 /nfs/dbraw/zinc/46/45/71/598464571.db2.gz LYKJFNJYDISSDY-UKRRQHHQSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736286113 598464569 /nfs/dbraw/zinc/46/45/69/598464569.db2.gz LYKJFNJYDISSDY-UKRRQHHQSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000736286117 598464443 /nfs/dbraw/zinc/46/44/43/598464443.db2.gz LYKJFNJYDISSDY-ZFWWWQNUSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000736286117 598464441 /nfs/dbraw/zinc/46/44/41/598464441.db2.gz LYKJFNJYDISSDY-ZFWWWQNUSA-N -1 3 386.460 -0.261 20 0 GBADHM C[C@@H]1CN(CCNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000736289295 598303420 /nfs/dbraw/zinc/30/34/20/598303420.db2.gz VVHASOHTHBNGLA-GFCCVEGCSA-N -1 3 375.437 -0.307 20 0 GBADHM C[C@@H]1CN(CCNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000736289295 598303418 /nfs/dbraw/zinc/30/34/18/598303418.db2.gz VVHASOHTHBNGLA-GFCCVEGCSA-N -1 3 375.437 -0.307 20 0 GBADHM C[C@H]1CN(CCNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000736289296 598303530 /nfs/dbraw/zinc/30/35/30/598303530.db2.gz VVHASOHTHBNGLA-LBPRGKRZSA-N -1 3 375.437 -0.307 20 0 GBADHM C[C@H]1CN(CCNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000736289296 598303528 /nfs/dbraw/zinc/30/35/28/598303528.db2.gz VVHASOHTHBNGLA-LBPRGKRZSA-N -1 3 375.437 -0.307 20 0 GBADHM C[C@@H]1CN(CCNC(=O)NCCNc2ncccc2-c2nn[n-]n2)CCO1 ZINC000736290064 598303483 /nfs/dbraw/zinc/30/34/83/598303483.db2.gz ZOSPASGGAMRFSU-GFCCVEGCSA-N -1 3 375.437 -0.307 20 0 GBADHM C[C@@H]1CN(CCNC(=O)NCCNc2ncccc2-c2nnn[n-]2)CCO1 ZINC000736290064 598303481 /nfs/dbraw/zinc/30/34/81/598303481.db2.gz ZOSPASGGAMRFSU-GFCCVEGCSA-N -1 3 375.437 -0.307 20 0 GBADHM C[C@H]1CN(CCNC(=O)NCCNc2ncccc2-c2nn[n-]n2)CCO1 ZINC000736290066 598303393 /nfs/dbraw/zinc/30/33/93/598303393.db2.gz ZOSPASGGAMRFSU-LBPRGKRZSA-N -1 3 375.437 -0.307 20 0 GBADHM C[C@H]1CN(CCNC(=O)NCCNc2ncccc2-c2nnn[n-]2)CCO1 ZINC000736290066 598303391 /nfs/dbraw/zinc/30/33/91/598303391.db2.gz ZOSPASGGAMRFSU-LBPRGKRZSA-N -1 3 375.437 -0.307 20 0 GBADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CCS1(=O)=O ZINC000736290957 598875688 /nfs/dbraw/zinc/87/56/88/598875688.db2.gz SJKHZYALEUDMBS-MRVPVSSYSA-N -1 3 375.407 -0.187 20 0 GBADHM C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CCS1(=O)=O ZINC000736290957 598875687 /nfs/dbraw/zinc/87/56/87/598875687.db2.gz SJKHZYALEUDMBS-MRVPVSSYSA-N -1 3 375.407 -0.187 20 0 GBADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CCS1(=O)=O ZINC000736290958 598875683 /nfs/dbraw/zinc/87/56/83/598875683.db2.gz SJKHZYALEUDMBS-QMMMGPOBSA-N -1 3 375.407 -0.187 20 0 GBADHM C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CCS1(=O)=O ZINC000736290958 598875681 /nfs/dbraw/zinc/87/56/81/598875681.db2.gz SJKHZYALEUDMBS-QMMMGPOBSA-N -1 3 375.407 -0.187 20 0 GBADHM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736291850 599595533 /nfs/dbraw/zinc/59/55/33/599595533.db2.gz ZDGLZNJBTAJWRN-MRVPVSSYSA-N -1 3 375.407 -0.187 20 0 GBADHM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000736291853 599595548 /nfs/dbraw/zinc/59/55/48/599595548.db2.gz ZDGLZNJBTAJWRN-QMMMGPOBSA-N -1 3 375.407 -0.187 20 0 GBADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736292762 598289778 /nfs/dbraw/zinc/28/97/78/598289778.db2.gz LRGXQTHSVYPVSY-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736292762 598289776 /nfs/dbraw/zinc/28/97/76/598289776.db2.gz LRGXQTHSVYPVSY-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736292763 598289594 /nfs/dbraw/zinc/28/95/94/598289594.db2.gz LRGXQTHSVYPVSY-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736292763 598289591 /nfs/dbraw/zinc/28/95/91/598289591.db2.gz LRGXQTHSVYPVSY-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736293096 598875448 /nfs/dbraw/zinc/87/54/48/598875448.db2.gz NWYOUDUFJOPNPH-MRVPVSSYSA-N -1 3 375.407 -0.187 20 0 GBADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736293096 598875445 /nfs/dbraw/zinc/87/54/45/598875445.db2.gz NWYOUDUFJOPNPH-MRVPVSSYSA-N -1 3 375.407 -0.187 20 0 GBADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736293098 598875482 /nfs/dbraw/zinc/87/54/82/598875482.db2.gz NWYOUDUFJOPNPH-QMMMGPOBSA-N -1 3 375.407 -0.187 20 0 GBADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736293098 598875480 /nfs/dbraw/zinc/87/54/80/598875480.db2.gz NWYOUDUFJOPNPH-QMMMGPOBSA-N -1 3 375.407 -0.187 20 0 GBADHM C[C@H]1CS(=O)(=O)CCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736294471 598888487 /nfs/dbraw/zinc/88/84/87/598888487.db2.gz UUDQRTGHXWROEL-JTQLQIEISA-N -1 3 380.434 -0.498 20 0 GBADHM C[C@H]1CS(=O)(=O)CCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736294471 598888485 /nfs/dbraw/zinc/88/84/85/598888485.db2.gz UUDQRTGHXWROEL-JTQLQIEISA-N -1 3 380.434 -0.498 20 0 GBADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000736294473 598888686 /nfs/dbraw/zinc/88/86/86/598888686.db2.gz UUDQRTGHXWROEL-SNVBAGLBSA-N -1 3 380.434 -0.498 20 0 GBADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000736294473 598888685 /nfs/dbraw/zinc/88/86/85/598888685.db2.gz UUDQRTGHXWROEL-SNVBAGLBSA-N -1 3 380.434 -0.498 20 0 GBADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736294531 598875508 /nfs/dbraw/zinc/87/55/08/598875508.db2.gz VJTFSOZGQCTJNE-MRVPVSSYSA-N -1 3 375.407 -0.187 20 0 GBADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736294532 598875776 /nfs/dbraw/zinc/87/57/76/598875776.db2.gz VJTFSOZGQCTJNE-QMMMGPOBSA-N -1 3 375.407 -0.187 20 0 GBADHM C[C@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736294564 598891478 /nfs/dbraw/zinc/89/14/78/598891478.db2.gz WCBMKNOXGYQWPN-JTQLQIEISA-N -1 3 378.414 -0.758 20 0 GBADHM C[C@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736294564 598891476 /nfs/dbraw/zinc/89/14/76/598891476.db2.gz WCBMKNOXGYQWPN-JTQLQIEISA-N -1 3 378.414 -0.758 20 0 GBADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736294565 598891566 /nfs/dbraw/zinc/89/15/66/598891566.db2.gz WCBMKNOXGYQWPN-SNVBAGLBSA-N -1 3 378.414 -0.758 20 0 GBADHM C[C@@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736294565 598891564 /nfs/dbraw/zinc/89/15/64/598891564.db2.gz WCBMKNOXGYQWPN-SNVBAGLBSA-N -1 3 378.414 -0.758 20 0 GBADHM CCC(=O)N[C@@H](CCSC)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736303239 598294512 /nfs/dbraw/zinc/29/45/12/598294512.db2.gz KPZQTUZNHXDUPK-JTQLQIEISA-N -1 3 382.450 -0.164 20 0 GBADHM CCC(=O)N[C@@H](CCSC)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736303239 598294511 /nfs/dbraw/zinc/29/45/11/598294511.db2.gz KPZQTUZNHXDUPK-JTQLQIEISA-N -1 3 382.450 -0.164 20 0 GBADHM CCC(=O)N[C@H](CCSC)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736303241 598294414 /nfs/dbraw/zinc/29/44/14/598294414.db2.gz KPZQTUZNHXDUPK-SNVBAGLBSA-N -1 3 382.450 -0.164 20 0 GBADHM CCC(=O)N[C@H](CCSC)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736303241 598294411 /nfs/dbraw/zinc/29/44/11/598294411.db2.gz KPZQTUZNHXDUPK-SNVBAGLBSA-N -1 3 382.450 -0.164 20 0 GBADHM CC[C@H](C(N)=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736314027 598395330 /nfs/dbraw/zinc/39/53/30/598395330.db2.gz PVMASPHAMOMSFP-CYBMUJFWSA-N -1 3 379.446 -0.563 20 0 GBADHM CC[C@H](C(N)=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736314027 598395329 /nfs/dbraw/zinc/39/53/29/598395329.db2.gz PVMASPHAMOMSFP-CYBMUJFWSA-N -1 3 379.446 -0.563 20 0 GBADHM CC[C@@H](C(N)=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736314028 598395786 /nfs/dbraw/zinc/39/57/86/598395786.db2.gz PVMASPHAMOMSFP-ZDUSSCGKSA-N -1 3 379.446 -0.563 20 0 GBADHM CC[C@@H](C(N)=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736314028 598395784 /nfs/dbraw/zinc/39/57/84/598395784.db2.gz PVMASPHAMOMSFP-ZDUSSCGKSA-N -1 3 379.446 -0.563 20 0 GBADHM CCC1(CC)NC(=O)N(CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)C1=O ZINC000736394311 598605452 /nfs/dbraw/zinc/60/54/52/598605452.db2.gz DBAKERPNBQYFDI-UHFFFAOYSA-N -1 3 391.392 -0.701 20 0 GBADHM CCC1(CC)NC(=O)N(CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)C1=O ZINC000736394311 598605451 /nfs/dbraw/zinc/60/54/51/598605451.db2.gz DBAKERPNBQYFDI-UHFFFAOYSA-N -1 3 391.392 -0.701 20 0 GBADHM CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736395113 598401993 /nfs/dbraw/zinc/40/19/93/598401993.db2.gz HJMXFHKDBFNTFD-CYBMUJFWSA-N -1 3 381.400 -0.015 20 0 GBADHM CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736395113 598401991 /nfs/dbraw/zinc/40/19/91/598401991.db2.gz HJMXFHKDBFNTFD-CYBMUJFWSA-N -1 3 381.400 -0.015 20 0 GBADHM CC[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736395114 598402005 /nfs/dbraw/zinc/40/20/05/598402005.db2.gz HJMXFHKDBFNTFD-ZDUSSCGKSA-N -1 3 381.400 -0.015 20 0 GBADHM CC[C@H]1C(=O)NCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736395114 598402002 /nfs/dbraw/zinc/40/20/02/598402002.db2.gz HJMXFHKDBFNTFD-ZDUSSCGKSA-N -1 3 381.400 -0.015 20 0 GBADHM CC[C@H]1C(=O)NCCN1CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736395624 598403211 /nfs/dbraw/zinc/40/32/11/598403211.db2.gz JBYXKZMZOQODLE-AWEZNQCLSA-N -1 3 398.427 -0.201 20 0 GBADHM CC[C@H]1C(=O)NCCN1CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736395624 598403210 /nfs/dbraw/zinc/40/32/10/598403210.db2.gz JBYXKZMZOQODLE-AWEZNQCLSA-N -1 3 398.427 -0.201 20 0 GBADHM CC[C@@H]1C(=O)NCCN1CN1CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000736395627 598402807 /nfs/dbraw/zinc/40/28/07/598402807.db2.gz JBYXKZMZOQODLE-CQSZACIVSA-N -1 3 398.427 -0.201 20 0 GBADHM CC[C@@H]1C(=O)NCCN1CN1CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000736395627 598402805 /nfs/dbraw/zinc/40/28/05/598402805.db2.gz JBYXKZMZOQODLE-CQSZACIVSA-N -1 3 398.427 -0.201 20 0 GBADHM CC[C@H]1C(=O)NCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736395656 598403090 /nfs/dbraw/zinc/40/30/90/598403090.db2.gz JGQHDRQSFOXDOV-AWEZNQCLSA-N -1 3 398.427 -0.201 20 0 GBADHM CC[C@H]1C(=O)NCCN1CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736395656 598403089 /nfs/dbraw/zinc/40/30/89/598403089.db2.gz JGQHDRQSFOXDOV-AWEZNQCLSA-N -1 3 398.427 -0.201 20 0 GBADHM CC[C@@H]1C(=O)NCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000736395657 598403208 /nfs/dbraw/zinc/40/32/08/598403208.db2.gz JGQHDRQSFOXDOV-CQSZACIVSA-N -1 3 398.427 -0.201 20 0 GBADHM CC[C@@H]1C(=O)NCCN1CN1CC(=O)N(Cc2ccccc2-c2nnn[n-]2)C1=O ZINC000736395657 598403207 /nfs/dbraw/zinc/40/32/07/598403207.db2.gz JGQHDRQSFOXDOV-CQSZACIVSA-N -1 3 398.427 -0.201 20 0 GBADHM CC[C@]1(C)NC(=O)N(CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)C1=O ZINC000736396328 599294302 /nfs/dbraw/zinc/29/43/02/599294302.db2.gz LHPYOGZJIRBPDN-AWEZNQCLSA-N -1 3 391.417 -0.172 20 0 GBADHM CC[C@]1(C)NC(=O)N(CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)C1=O ZINC000736396328 599294301 /nfs/dbraw/zinc/29/43/01/599294301.db2.gz LHPYOGZJIRBPDN-AWEZNQCLSA-N -1 3 391.417 -0.172 20 0 GBADHM CC[C@@]1(C)NC(=O)N(CC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)C1=O ZINC000736396329 599293926 /nfs/dbraw/zinc/29/39/26/599293926.db2.gz LHPYOGZJIRBPDN-CQSZACIVSA-N -1 3 391.417 -0.172 20 0 GBADHM CC[C@@]1(C)NC(=O)N(CC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)C1=O ZINC000736396329 599293924 /nfs/dbraw/zinc/29/39/24/599293924.db2.gz LHPYOGZJIRBPDN-CQSZACIVSA-N -1 3 391.417 -0.172 20 0 GBADHM CC[C@@H]1C(=O)NCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736397053 598402996 /nfs/dbraw/zinc/40/29/96/598402996.db2.gz RFMKLCUSVPFDNU-ACJLOTCBSA-N -1 3 398.427 -0.198 20 0 GBADHM CC[C@@H]1C(=O)NCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736397053 598402994 /nfs/dbraw/zinc/40/29/94/598402994.db2.gz RFMKLCUSVPFDNU-ACJLOTCBSA-N -1 3 398.427 -0.198 20 0 GBADHM CC[C@@H]1C(=O)NCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736397054 598403185 /nfs/dbraw/zinc/40/31/85/598403185.db2.gz RFMKLCUSVPFDNU-FZKQIMNGSA-N -1 3 398.427 -0.198 20 0 GBADHM CC[C@@H]1C(=O)NCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736397054 598403184 /nfs/dbraw/zinc/40/31/84/598403184.db2.gz RFMKLCUSVPFDNU-FZKQIMNGSA-N -1 3 398.427 -0.198 20 0 GBADHM CC[C@H]1C(=O)NCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736397055 598403087 /nfs/dbraw/zinc/40/30/87/598403087.db2.gz RFMKLCUSVPFDNU-SCLBCKFNSA-N -1 3 398.427 -0.198 20 0 GBADHM CC[C@H]1C(=O)NCCN1CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736397055 598403086 /nfs/dbraw/zinc/40/30/86/598403086.db2.gz RFMKLCUSVPFDNU-SCLBCKFNSA-N -1 3 398.427 -0.198 20 0 GBADHM CC[C@H]1C(=O)NCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000736397056 598403205 /nfs/dbraw/zinc/40/32/05/598403205.db2.gz RFMKLCUSVPFDNU-UGSOOPFHSA-N -1 3 398.427 -0.198 20 0 GBADHM CC[C@H]1C(=O)NCCN1CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000736397056 598403204 /nfs/dbraw/zinc/40/32/04/598403204.db2.gz RFMKLCUSVPFDNU-UGSOOPFHSA-N -1 3 398.427 -0.198 20 0 GBADHM CCCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736479149 598260238 /nfs/dbraw/zinc/26/02/38/598260238.db2.gz BINVBPFLDUCJAK-JTQLQIEISA-N -1 3 396.429 -0.397 20 0 GBADHM CCCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736479149 598260237 /nfs/dbraw/zinc/26/02/37/598260237.db2.gz BINVBPFLDUCJAK-JTQLQIEISA-N -1 3 396.429 -0.397 20 0 GBADHM CCCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736479150 598260342 /nfs/dbraw/zinc/26/03/42/598260342.db2.gz BINVBPFLDUCJAK-SNVBAGLBSA-N -1 3 396.429 -0.397 20 0 GBADHM CCCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736479150 598260340 /nfs/dbraw/zinc/26/03/40/598260340.db2.gz BINVBPFLDUCJAK-SNVBAGLBSA-N -1 3 396.429 -0.397 20 0 GBADHM CCCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736479723 598233999 /nfs/dbraw/zinc/23/39/99/598233999.db2.gz FXEOKHOQBZGLGU-JTQLQIEISA-N -1 3 396.429 -0.397 20 0 GBADHM CCCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736479723 598233998 /nfs/dbraw/zinc/23/39/98/598233998.db2.gz FXEOKHOQBZGLGU-JTQLQIEISA-N -1 3 396.429 -0.397 20 0 GBADHM CCCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736479724 598233913 /nfs/dbraw/zinc/23/39/13/598233913.db2.gz FXEOKHOQBZGLGU-SNVBAGLBSA-N -1 3 396.429 -0.397 20 0 GBADHM CCCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736479724 598233912 /nfs/dbraw/zinc/23/39/12/598233912.db2.gz FXEOKHOQBZGLGU-SNVBAGLBSA-N -1 3 396.429 -0.397 20 0 GBADHM CCCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736481866 598819862 /nfs/dbraw/zinc/81/98/62/598819862.db2.gz RPJSTHVGIVBNPK-JTQLQIEISA-N -1 3 396.429 -0.397 20 0 GBADHM CCCNC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736481866 598819860 /nfs/dbraw/zinc/81/98/60/598819860.db2.gz RPJSTHVGIVBNPK-JTQLQIEISA-N -1 3 396.429 -0.397 20 0 GBADHM CCCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736481867 598819919 /nfs/dbraw/zinc/81/99/19/598819919.db2.gz RPJSTHVGIVBNPK-SNVBAGLBSA-N -1 3 396.429 -0.397 20 0 GBADHM CCCNC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736481867 598819917 /nfs/dbraw/zinc/81/99/17/598819917.db2.gz RPJSTHVGIVBNPK-SNVBAGLBSA-N -1 3 396.429 -0.397 20 0 GBADHM CCCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736482870 598411077 /nfs/dbraw/zinc/41/10/77/598411077.db2.gz AZIQSRKQNAZXCK-UHFFFAOYSA-N -1 3 389.372 -0.625 20 0 GBADHM CCCNC(=O)NC(=O)COC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736482870 598411075 /nfs/dbraw/zinc/41/10/75/598411075.db2.gz AZIQSRKQNAZXCK-UHFFFAOYSA-N -1 3 389.372 -0.625 20 0 GBADHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736497722 598605730 /nfs/dbraw/zinc/60/57/30/598605730.db2.gz LSROWJIKSQUYDU-LLVKDONJSA-N -1 3 398.449 -0.607 20 0 GBADHM CCCS(=O)(=O)N1CCC[C@@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736497722 598605727 /nfs/dbraw/zinc/60/57/27/598605727.db2.gz LSROWJIKSQUYDU-LLVKDONJSA-N -1 3 398.449 -0.607 20 0 GBADHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000736497724 598605530 /nfs/dbraw/zinc/60/55/30/598605530.db2.gz LSROWJIKSQUYDU-NSHDSACASA-N -1 3 398.449 -0.607 20 0 GBADHM CCCS(=O)(=O)N1CCC[C@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000736497724 598605529 /nfs/dbraw/zinc/60/55/29/598605529.db2.gz LSROWJIKSQUYDU-NSHDSACASA-N -1 3 398.449 -0.607 20 0 GBADHM CCN(C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)CS(C)(=O)=O ZINC000736504279 598800145 /nfs/dbraw/zinc/80/01/45/598800145.db2.gz CQERHHISMQJJBD-LLVKDONJSA-N -1 3 394.457 -0.122 20 0 GBADHM CCN(C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)CS(C)(=O)=O ZINC000736504279 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GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@](C)(O)COC ZINC000736636292 599513941 /nfs/dbraw/zinc/51/39/41/599513941.db2.gz QIXSWRGVPJJKPK-INIZCTEOSA-N -1 3 378.389 -0.283 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@](C)(O)COC ZINC000736636292 599513938 /nfs/dbraw/zinc/51/39/38/599513938.db2.gz QIXSWRGVPJJKPK-INIZCTEOSA-N -1 3 378.389 -0.283 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@](C)(O)COC ZINC000736636297 599514218 /nfs/dbraw/zinc/51/42/18/599514218.db2.gz QIXSWRGVPJJKPK-MRXNPFEDSA-N -1 3 378.389 -0.283 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@](C)(O)COC ZINC000736636297 599514216 /nfs/dbraw/zinc/51/42/16/599514216.db2.gz QIXSWRGVPJJKPK-MRXNPFEDSA-N -1 3 378.389 -0.283 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCS(C)(=O)=O ZINC000736636710 599510986 /nfs/dbraw/zinc/51/09/86/599510986.db2.gz QUFYMKZQEXAQBI-UHFFFAOYSA-N -1 3 396.429 -0.245 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCS(C)(=O)=O ZINC000736636710 599510984 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598841188 /nfs/dbraw/zinc/84/11/88/598841188.db2.gz MHJGCYRGTLNLGE-SNVBAGLBSA-N -1 3 380.430 -0.464 20 0 GBADHM CCS(=O)(=O)C[C@@H](C)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736656642 598841187 /nfs/dbraw/zinc/84/11/87/598841187.db2.gz MHJGCYRGTLNLGE-SNVBAGLBSA-N -1 3 380.430 -0.464 20 0 GBADHM CCS(=O)(=O)C[C@H](C)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736656870 598852094 /nfs/dbraw/zinc/85/20/94/598852094.db2.gz NFSUFAZWXYWIJG-JTQLQIEISA-N -1 3 382.450 -0.204 20 0 GBADHM CCS(=O)(=O)C[C@H](C)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736656870 598852092 /nfs/dbraw/zinc/85/20/92/598852092.db2.gz NFSUFAZWXYWIJG-JTQLQIEISA-N -1 3 382.450 -0.204 20 0 GBADHM CCS(=O)(=O)C[C@@H](C)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000736656871 598852322 /nfs/dbraw/zinc/85/23/22/598852322.db2.gz NFSUFAZWXYWIJG-SNVBAGLBSA-N -1 3 382.450 -0.204 20 0 GBADHM CCS(=O)(=O)C[C@@H](C)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000736656871 598852321 /nfs/dbraw/zinc/85/23/21/598852321.db2.gz NFSUFAZWXYWIJG-SNVBAGLBSA-N -1 3 382.450 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/nfs/dbraw/zinc/69/90/85/598699085.db2.gz VAAJKJVUPNJXGB-UHFFFAOYSA-N -1 3 375.458 -0.151 20 0 GBADHM CNC(=O)CN1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736875208 598699084 /nfs/dbraw/zinc/69/90/84/598699084.db2.gz VAAJKJVUPNJXGB-UHFFFAOYSA-N -1 3 375.458 -0.151 20 0 GBADHM CNC(=O)CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000736875819 598563664 /nfs/dbraw/zinc/56/36/64/598563664.db2.gz ZEOJIPVOCZBURG-UHFFFAOYSA-N -1 3 383.315 -0.341 20 0 GBADHM CNC(=O)CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000736875819 598563662 /nfs/dbraw/zinc/56/36/62/598563662.db2.gz ZEOJIPVOCZBURG-UHFFFAOYSA-N -1 3 383.315 -0.341 20 0 GBADHM CNC(=O)c1ccc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC000736878236 598664563 /nfs/dbraw/zinc/66/45/63/598664563.db2.gz ADZDKBADEIANSX-UHFFFAOYSA-N -1 3 393.411 -0.021 20 0 GBADHM CNC(=O)c1ccc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC000736878236 598664561 /nfs/dbraw/zinc/66/45/61/598664561.db2.gz ADZDKBADEIANSX-UHFFFAOYSA-N -1 3 393.411 -0.021 20 0 GBADHM CNC(=O)Cn1cnc(NC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736878855 599229469 /nfs/dbraw/zinc/22/94/69/599229469.db2.gz JNPMYPHFKSLTNL-CYBMUJFWSA-N -1 3 396.415 -0.188 20 0 GBADHM CNC(=O)Cn1cnc(NC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736878857 599229519 /nfs/dbraw/zinc/22/95/19/599229519.db2.gz JNPMYPHFKSLTNL-ZDUSSCGKSA-N -1 3 396.415 -0.188 20 0 GBADHM CNC(=O)NC(=O)[C@H](C)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736879125 598256281 /nfs/dbraw/zinc/25/62/81/598256281.db2.gz PVCGCZRQOULLRO-JTQLQIEISA-N -1 3 376.396 -0.028 20 0 GBADHM CNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000736879128 598256165 /nfs/dbraw/zinc/25/61/65/598256165.db2.gz PVCGCZRQOULLRO-SNVBAGLBSA-N -1 3 376.396 -0.028 20 0 GBADHM CNC(=O)c1ccc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000736879329 598664278 /nfs/dbraw/zinc/66/42/78/598664278.db2.gz RWTSFLXLVPYFGU-UHFFFAOYSA-N -1 3 393.411 -0.021 20 0 GBADHM CNC(=O)c1ccc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000736879329 598664275 /nfs/dbraw/zinc/66/42/75/598664275.db2.gz RWTSFLXLVPYFGU-UHFFFAOYSA-N -1 3 393.411 -0.021 20 0 GBADHM CNC(=O)Cn1cc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736879656 598403580 /nfs/dbraw/zinc/40/35/80/598403580.db2.gz YBQSRBORIMVWDX-UHFFFAOYSA-N -1 3 383.372 -0.822 20 0 GBADHM CNC(=O)Cn1cc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736879656 598403578 /nfs/dbraw/zinc/40/35/78/598403578.db2.gz YBQSRBORIMVWDX-UHFFFAOYSA-N -1 3 383.372 -0.822 20 0 GBADHM CNC(=O)c1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000736879721 598665980 /nfs/dbraw/zinc/66/59/80/598665980.db2.gz ZGKRCLDGGRUMHH-UHFFFAOYSA-N -1 3 393.411 -0.021 20 0 GBADHM CNC(=O)c1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000736879721 598665977 /nfs/dbraw/zinc/66/59/77/598665977.db2.gz ZGKRCLDGGRUMHH-UHFFFAOYSA-N -1 3 393.411 -0.021 20 0 GBADHM CNS(=O)(=O)C1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736881157 599078100 /nfs/dbraw/zinc/07/81/00/599078100.db2.gz ABCZSWUEILTOCZ-CYBMUJFWSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)C1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736881157 599078097 /nfs/dbraw/zinc/07/80/97/599078097.db2.gz ABCZSWUEILTOCZ-CYBMUJFWSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)C1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736881158 599077942 /nfs/dbraw/zinc/07/79/42/599077942.db2.gz ABCZSWUEILTOCZ-ZDUSSCGKSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)C1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736881158 599077939 /nfs/dbraw/zinc/07/79/39/599077939.db2.gz ABCZSWUEILTOCZ-ZDUSSCGKSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736881241 598855987 /nfs/dbraw/zinc/85/59/87/598855987.db2.gz CICYHPJDMSVPPX-GFCCVEGCSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736881241 598855985 /nfs/dbraw/zinc/85/59/85/598855985.db2.gz CICYHPJDMSVPPX-GFCCVEGCSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736881242 598855617 /nfs/dbraw/zinc/85/56/17/598855617.db2.gz CICYHPJDMSVPPX-LBPRGKRZSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736881242 598855616 /nfs/dbraw/zinc/85/56/16/598855616.db2.gz CICYHPJDMSVPPX-LBPRGKRZSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736881575 598704069 /nfs/dbraw/zinc/70/40/69/598704069.db2.gz DKMZFQVMMOGVIC-UHFFFAOYSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)C1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736881575 598704068 /nfs/dbraw/zinc/70/40/68/598704068.db2.gz DKMZFQVMMOGVIC-UHFFFAOYSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736881576 598732466 /nfs/dbraw/zinc/73/24/66/598732466.db2.gz DLMYFADNVDBZOT-UHFFFAOYSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736881576 598732465 /nfs/dbraw/zinc/73/24/65/598732465.db2.gz DLMYFADNVDBZOT-UHFFFAOYSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)C1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736881613 598703794 /nfs/dbraw/zinc/70/37/94/598703794.db2.gz FNOAPUABBSZOLA-UHFFFAOYSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)C1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736881613 598703792 /nfs/dbraw/zinc/70/37/92/598703792.db2.gz FNOAPUABBSZOLA-UHFFFAOYSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000736882072 598617163 /nfs/dbraw/zinc/61/71/63/598617163.db2.gz HWCAIAVLNXMZBR-UHFFFAOYSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000736882072 598617161 /nfs/dbraw/zinc/61/71/61/598617161.db2.gz HWCAIAVLNXMZBR-UHFFFAOYSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736882079 598827232 /nfs/dbraw/zinc/82/72/32/598827232.db2.gz IDTARMDQSGWTAN-CYBMUJFWSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736882080 598827427 /nfs/dbraw/zinc/82/74/27/598827427.db2.gz IDTARMDQSGWTAN-ZDUSSCGKSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000736882081 598836054 /nfs/dbraw/zinc/83/60/54/598836054.db2.gz IDYVUUTXTKCCEC-JTQLQIEISA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000736882081 598836052 /nfs/dbraw/zinc/83/60/52/598836052.db2.gz IDYVUUTXTKCCEC-JTQLQIEISA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000736882082 598836446 /nfs/dbraw/zinc/83/64/46/598836446.db2.gz IDYVUUTXTKCCEC-SNVBAGLBSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000736882082 598836444 /nfs/dbraw/zinc/83/64/44/598836444.db2.gz IDYVUUTXTKCCEC-SNVBAGLBSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000736882083 598832832 /nfs/dbraw/zinc/83/28/32/598832832.db2.gz IFHDANYZCQETHW-SECBINFHSA-N -1 3 385.475 -0.120 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000736882083 598832830 /nfs/dbraw/zinc/83/28/30/598832830.db2.gz IFHDANYZCQETHW-SECBINFHSA-N -1 3 385.475 -0.120 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000736882084 598832835 /nfs/dbraw/zinc/83/28/35/598832835.db2.gz IFHDANYZCQETHW-VIFPVBQESA-N -1 3 385.475 -0.120 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000736882084 598832834 /nfs/dbraw/zinc/83/28/34/598832834.db2.gz IFHDANYZCQETHW-VIFPVBQESA-N -1 3 385.475 -0.120 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736882098 598694662 /nfs/dbraw/zinc/69/46/62/598694662.db2.gz ILGOWHLREZKRCX-UHFFFAOYSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736882133 598827470 /nfs/dbraw/zinc/82/74/70/598827470.db2.gz JPSSYKPKGZBINI-CYBMUJFWSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736882133 598827468 /nfs/dbraw/zinc/82/74/68/598827468.db2.gz JPSSYKPKGZBINI-CYBMUJFWSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736882134 598827329 /nfs/dbraw/zinc/82/73/29/598827329.db2.gz JPSSYKPKGZBINI-ZDUSSCGKSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736882134 598827327 /nfs/dbraw/zinc/82/73/27/598827327.db2.gz JPSSYKPKGZBINI-ZDUSSCGKSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736882144 598833371 /nfs/dbraw/zinc/83/33/71/598833371.db2.gz KDLWCHCYUWLYHD-CYBMUJFWSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736882144 598833370 /nfs/dbraw/zinc/83/33/70/598833370.db2.gz KDLWCHCYUWLYHD-CYBMUJFWSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736882145 598833273 /nfs/dbraw/zinc/83/32/73/598833273.db2.gz KDLWCHCYUWLYHD-ZDUSSCGKSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736882145 598833272 /nfs/dbraw/zinc/83/32/72/598833272.db2.gz KDLWCHCYUWLYHD-ZDUSSCGKSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736882150 598827085 /nfs/dbraw/zinc/82/70/85/598827085.db2.gz KFPOPAHCPDQLRA-CYBMUJFWSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736882151 598827316 /nfs/dbraw/zinc/82/73/16/598827316.db2.gz KFPOPAHCPDQLRA-ZDUSSCGKSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736882154 598833170 /nfs/dbraw/zinc/83/31/70/598833170.db2.gz KIRDBRMTRHLCBL-AWEZNQCLSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736882154 598833167 /nfs/dbraw/zinc/83/31/67/598833167.db2.gz KIRDBRMTRHLCBL-AWEZNQCLSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736882155 598832847 /nfs/dbraw/zinc/83/28/47/598832847.db2.gz KIRDBRMTRHLCBL-CQSZACIVSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736882155 598832845 /nfs/dbraw/zinc/83/28/45/598832845.db2.gz KIRDBRMTRHLCBL-CQSZACIVSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)C1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736882575 598704052 /nfs/dbraw/zinc/70/40/52/598704052.db2.gz KYEBJNLEBVTYEM-UHFFFAOYSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)C1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736882575 598704050 /nfs/dbraw/zinc/70/40/50/598704050.db2.gz KYEBJNLEBVTYEM-UHFFFAOYSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736882613 598836075 /nfs/dbraw/zinc/83/60/75/598836075.db2.gz MFEYDIFEFZTVBJ-GFCCVEGCSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736882613 598836072 /nfs/dbraw/zinc/83/60/72/598836072.db2.gz MFEYDIFEFZTVBJ-GFCCVEGCSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736882614 598836375 /nfs/dbraw/zinc/83/63/75/598836375.db2.gz MFEYDIFEFZTVBJ-LBPRGKRZSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736882614 598836374 /nfs/dbraw/zinc/83/63/74/598836374.db2.gz MFEYDIFEFZTVBJ-LBPRGKRZSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736882637 598833397 /nfs/dbraw/zinc/83/33/97/598833397.db2.gz MRCCDRFUHQFGSG-AWEZNQCLSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736882637 598833395 /nfs/dbraw/zinc/83/33/95/598833395.db2.gz MRCCDRFUHQFGSG-AWEZNQCLSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736882638 598833229 /nfs/dbraw/zinc/83/32/29/598833229.db2.gz MRCCDRFUHQFGSG-CQSZACIVSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736882638 598833228 /nfs/dbraw/zinc/83/32/28/598833228.db2.gz MRCCDRFUHQFGSG-CQSZACIVSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000736882646 598827276 /nfs/dbraw/zinc/82/72/76/598827276.db2.gz MWLFHKRFNGOVNZ-LLVKDONJSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000736882646 598827274 /nfs/dbraw/zinc/82/72/74/598827274.db2.gz MWLFHKRFNGOVNZ-LLVKDONJSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000736882647 598827656 /nfs/dbraw/zinc/82/76/56/598827656.db2.gz MWLFHKRFNGOVNZ-NSHDSACASA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000736882647 598827655 /nfs/dbraw/zinc/82/76/55/598827655.db2.gz MWLFHKRFNGOVNZ-NSHDSACASA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736882655 599077253 /nfs/dbraw/zinc/07/72/53/599077253.db2.gz NDGKVJMUMCTWKO-CHWSQXEVSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736882655 599077249 /nfs/dbraw/zinc/07/72/49/599077249.db2.gz NDGKVJMUMCTWKO-CHWSQXEVSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736882656 599077448 /nfs/dbraw/zinc/07/74/48/599077448.db2.gz NDGKVJMUMCTWKO-OLZOCXBDSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736882656 599077445 /nfs/dbraw/zinc/07/74/45/599077445.db2.gz NDGKVJMUMCTWKO-OLZOCXBDSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736883157 599078091 /nfs/dbraw/zinc/07/80/91/599078091.db2.gz NDGKVJMUMCTWKO-QWHCGFSZSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736883157 599078089 /nfs/dbraw/zinc/07/80/89/599078089.db2.gz NDGKVJMUMCTWKO-QWHCGFSZSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736883158 599078019 /nfs/dbraw/zinc/07/80/19/599078019.db2.gz NDGKVJMUMCTWKO-STQMWFEESA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736883158 599078016 /nfs/dbraw/zinc/07/80/16/599078016.db2.gz NDGKVJMUMCTWKO-STQMWFEESA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)C1CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736883187 598627234 /nfs/dbraw/zinc/62/72/34/598627234.db2.gz NTVCPMYLBXYLGW-UHFFFAOYSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)C1CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736883187 598627233 /nfs/dbraw/zinc/62/72/33/598627233.db2.gz NTVCPMYLBXYLGW-UHFFFAOYSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736883227 598836329 /nfs/dbraw/zinc/83/63/29/598836329.db2.gz PCFBJFIVAIEWGR-GFCCVEGCSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736883227 598836328 /nfs/dbraw/zinc/83/63/28/598836328.db2.gz PCFBJFIVAIEWGR-GFCCVEGCSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736883228 598836484 /nfs/dbraw/zinc/83/64/84/598836484.db2.gz PCFBJFIVAIEWGR-LBPRGKRZSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736883228 598836482 /nfs/dbraw/zinc/83/64/82/598836482.db2.gz PCFBJFIVAIEWGR-LBPRGKRZSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000736883239 598711310 /nfs/dbraw/zinc/71/13/10/598711310.db2.gz PSVWBXFENCHDHB-UHFFFAOYSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000736883239 598711309 /nfs/dbraw/zinc/71/13/09/598711309.db2.gz PSVWBXFENCHDHB-UHFFFAOYSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736883246 598833644 /nfs/dbraw/zinc/83/36/44/598833644.db2.gz QAFHYPZLQRJUAV-CYBMUJFWSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736883246 598833642 /nfs/dbraw/zinc/83/36/42/598833642.db2.gz QAFHYPZLQRJUAV-CYBMUJFWSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736883247 598833716 /nfs/dbraw/zinc/83/37/16/598833716.db2.gz QAFHYPZLQRJUAV-ZDUSSCGKSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736883247 598833715 /nfs/dbraw/zinc/83/37/15/598833715.db2.gz QAFHYPZLQRJUAV-ZDUSSCGKSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736883762 598855599 /nfs/dbraw/zinc/85/55/99/598855599.db2.gz QHJULPWYPJHEGM-GFCCVEGCSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736883762 598855598 /nfs/dbraw/zinc/85/55/98/598855598.db2.gz QHJULPWYPJHEGM-GFCCVEGCSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736883763 598855670 /nfs/dbraw/zinc/85/56/70/598855670.db2.gz QHJULPWYPJHEGM-LBPRGKRZSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736883763 598855668 /nfs/dbraw/zinc/85/56/68/598855668.db2.gz QHJULPWYPJHEGM-LBPRGKRZSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736883775 598732147 /nfs/dbraw/zinc/73/21/47/598732147.db2.gz QPUANEZQLOWGPE-UHFFFAOYSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736883775 598732145 /nfs/dbraw/zinc/73/21/45/598732145.db2.gz QPUANEZQLOWGPE-UHFFFAOYSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)C1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000736883781 598626261 /nfs/dbraw/zinc/62/62/61/598626261.db2.gz QVQKMFKYCZALBW-UHFFFAOYSA-N -1 3 385.475 -0.120 20 0 GBADHM CNS(=O)(=O)C1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000736883781 598626259 /nfs/dbraw/zinc/62/62/59/598626259.db2.gz QVQKMFKYCZALBW-UHFFFAOYSA-N -1 3 385.475 -0.120 20 0 GBADHM CNC(=O)c1cncc(C=CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000736883791 598739964 /nfs/dbraw/zinc/73/99/64/598739964.db2.gz QZYXQCNQFFLFQZ-IHWYPQMZSA-N -1 3 383.372 -0.343 20 0 GBADHM CNC(=O)c1cncc(C=CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000736883791 598739963 /nfs/dbraw/zinc/73/99/63/598739963.db2.gz QZYXQCNQFFLFQZ-IHWYPQMZSA-N -1 3 383.372 -0.343 20 0 GBADHM CNC(=O)c1cncc(C=CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000736883792 598739922 /nfs/dbraw/zinc/73/99/22/598739922.db2.gz QZYXQCNQFFLFQZ-NSCUHMNNSA-N -1 3 383.372 -0.343 20 0 GBADHM CNC(=O)c1cncc(C=CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000736883792 598739920 /nfs/dbraw/zinc/73/99/20/598739920.db2.gz QZYXQCNQFFLFQZ-NSCUHMNNSA-N -1 3 383.372 -0.343 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736884468 598617364 /nfs/dbraw/zinc/61/73/64/598617364.db2.gz UNZWMIAYDLAHSQ-UHFFFAOYSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000736884667 598711340 /nfs/dbraw/zinc/71/13/40/598711340.db2.gz WLEGKXDZNRACPT-UHFFFAOYSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736884667 598711339 /nfs/dbraw/zinc/71/13/39/598711339.db2.gz WLEGKXDZNRACPT-UHFFFAOYSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736885095 598694728 /nfs/dbraw/zinc/69/47/28/598694728.db2.gz WZLBWUUGOIWMRE-UHFFFAOYSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736885095 598694726 /nfs/dbraw/zinc/69/47/26/598694726.db2.gz WZLBWUUGOIWMRE-UHFFFAOYSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736885150 598711164 /nfs/dbraw/zinc/71/11/64/598711164.db2.gz YEVSAQBIEROMGE-UHFFFAOYSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736885150 598711163 /nfs/dbraw/zinc/71/11/63/598711163.db2.gz YEVSAQBIEROMGE-UHFFFAOYSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)c1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000736885159 598605310 /nfs/dbraw/zinc/60/53/10/598605310.db2.gz YNMPDYYKZWHVPM-UHFFFAOYSA-N -1 3 392.401 -0.590 20 0 GBADHM CNS(=O)(=O)c1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000736885159 598605309 /nfs/dbraw/zinc/60/53/09/598605309.db2.gz YNMPDYYKZWHVPM-UHFFFAOYSA-N -1 3 392.401 -0.590 20 0 GBADHM CNS(=O)(=O)CCCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736885222 598700677 /nfs/dbraw/zinc/70/06/77/598700677.db2.gz ZPRAQSHPRRHQKA-UHFFFAOYSA-N -1 3 396.477 -0.207 20 0 GBADHM CNS(=O)(=O)c1cccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000736888226 598293203 /nfs/dbraw/zinc/29/32/03/598293203.db2.gz WGOLPTXIDJUDAZ-UHFFFAOYSA-N -1 3 392.401 -0.590 20 0 GBADHM CNS(=O)(=O)c1cccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000736888226 598293201 /nfs/dbraw/zinc/29/32/01/598293201.db2.gz WGOLPTXIDJUDAZ-UHFFFAOYSA-N -1 3 392.401 -0.590 20 0 GBADHM COC(=O)[C@@H](C)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736891280 598297244 /nfs/dbraw/zinc/29/72/44/598297244.db2.gz JLEZVZQJVSSNNB-JTQLQIEISA-N -1 3 381.414 -0.293 20 0 GBADHM COC(=O)[C@H](C)CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736891288 598297060 /nfs/dbraw/zinc/29/70/60/598297060.db2.gz JLEZVZQJVSSNNB-SNVBAGLBSA-N -1 3 381.414 -0.293 20 0 GBADHM COC(=O)[C@@H](C)CS(=O)(=O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736892134 599147961 /nfs/dbraw/zinc/14/79/61/599147961.db2.gz MTLWLJCTLHHNCN-JTQLQIEISA-N -1 3 381.414 -0.293 20 0 GBADHM COC(=O)[C@H](C)CS(=O)(=O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736892137 599148085 /nfs/dbraw/zinc/14/80/85/599148085.db2.gz MTLWLJCTLHHNCN-SNVBAGLBSA-N -1 3 381.414 -0.293 20 0 GBADHM COC(=O)[C@@H](C)CS(=O)(=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736893670 599147766 /nfs/dbraw/zinc/14/77/66/599147766.db2.gz SHMOLXFGOQTQSZ-JTQLQIEISA-N -1 3 381.414 -0.293 20 0 GBADHM COC(=O)[C@H](C)CS(=O)(=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000736893672 599148090 /nfs/dbraw/zinc/14/80/90/599148090.db2.gz SHMOLXFGOQTQSZ-SNVBAGLBSA-N -1 3 381.414 -0.293 20 0 GBADHM COC(=O)[C@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736893988 598883857 /nfs/dbraw/zinc/88/38/57/598883857.db2.gz DZLZSWJROQQPPL-GFCCVEGCSA-N -1 3 382.446 -0.002 20 0 GBADHM COC(=O)[C@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736893988 598883855 /nfs/dbraw/zinc/88/38/55/598883855.db2.gz DZLZSWJROQQPPL-GFCCVEGCSA-N -1 3 382.446 -0.002 20 0 GBADHM COC(=O)[C@@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736893991 598884124 /nfs/dbraw/zinc/88/41/24/598884124.db2.gz DZLZSWJROQQPPL-LBPRGKRZSA-N -1 3 382.446 -0.002 20 0 GBADHM COC(=O)[C@@H](NCC(C)(C)NS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736893991 598884123 /nfs/dbraw/zinc/88/41/23/598884123.db2.gz DZLZSWJROQQPPL-LBPRGKRZSA-N -1 3 382.446 -0.002 20 0 GBADHM COC(=O)[C@H](CO)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000736894768 598288436 /nfs/dbraw/zinc/28/84/36/598288436.db2.gz IGOYRGYECPMLTF-JTQLQIEISA-N -1 3 380.430 -0.071 20 0 GBADHM COC(=O)[C@H](CO)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000736894768 598288434 /nfs/dbraw/zinc/28/84/34/598288434.db2.gz IGOYRGYECPMLTF-JTQLQIEISA-N -1 3 380.430 -0.071 20 0 GBADHM COC(=O)[C@@H](CO)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000736894769 598288598 /nfs/dbraw/zinc/28/85/98/598288598.db2.gz IGOYRGYECPMLTF-SNVBAGLBSA-N -1 3 380.430 -0.071 20 0 GBADHM COC(=O)[C@@H](CO)NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000736894769 598288597 /nfs/dbraw/zinc/28/85/97/598288597.db2.gz IGOYRGYECPMLTF-SNVBAGLBSA-N -1 3 380.430 -0.071 20 0 GBADHM COC(=O)[C@H](OC(=O)CN(C)S(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896722 598895919 /nfs/dbraw/zinc/89/59/19/598895919.db2.gz BQIRPFNTNZTEIX-GFCCVEGCSA-N -1 3 383.386 -0.485 20 0 GBADHM COC(=O)[C@H](OC(=O)CN(C)S(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896722 598895917 /nfs/dbraw/zinc/89/59/17/598895917.db2.gz BQIRPFNTNZTEIX-GFCCVEGCSA-N -1 3 383.386 -0.485 20 0 GBADHM COC(=O)[C@@H](OC(=O)CN(C)S(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736896725 598896037 /nfs/dbraw/zinc/89/60/37/598896037.db2.gz BQIRPFNTNZTEIX-LBPRGKRZSA-N -1 3 383.386 -0.485 20 0 GBADHM COC(=O)[C@@H](OC(=O)CN(C)S(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736896725 598896036 /nfs/dbraw/zinc/89/60/36/598896036.db2.gz BQIRPFNTNZTEIX-LBPRGKRZSA-N -1 3 383.386 -0.485 20 0 GBADHM COC(=O)[C@H](OC(=O)CN1CCC(=O)NC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897318 598900789 /nfs/dbraw/zinc/90/07/89/598900789.db2.gz FPDVMBNEKVYHRU-CYBMUJFWSA-N -1 3 388.340 -0.434 20 0 GBADHM COC(=O)[C@H](OC(=O)CN1CCC(=O)NC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897318 598900788 /nfs/dbraw/zinc/90/07/88/598900788.db2.gz FPDVMBNEKVYHRU-CYBMUJFWSA-N -1 3 388.340 -0.434 20 0 GBADHM COC(=O)[C@@H](OC(=O)CN1CCC(=O)NC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736897321 598900771 /nfs/dbraw/zinc/90/07/71/598900771.db2.gz FPDVMBNEKVYHRU-ZDUSSCGKSA-N -1 3 388.340 -0.434 20 0 GBADHM COC(=O)[C@@H](OC(=O)CN1CCC(=O)NC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736897321 598900770 /nfs/dbraw/zinc/90/07/70/598900770.db2.gz FPDVMBNEKVYHRU-ZDUSSCGKSA-N -1 3 388.340 -0.434 20 0 GBADHM COC(=O)[C@H](NCCCN(C)S(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899150 598882015 /nfs/dbraw/zinc/88/20/15/598882015.db2.gz XWYAMNIOEVNZLY-CYBMUJFWSA-N -1 3 382.446 -0.048 20 0 GBADHM COC(=O)[C@H](NCCCN(C)S(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899150 598882014 /nfs/dbraw/zinc/88/20/14/598882014.db2.gz XWYAMNIOEVNZLY-CYBMUJFWSA-N -1 3 382.446 -0.048 20 0 GBADHM COC(=O)[C@@H](NCCCN(C)S(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899151 598881972 /nfs/dbraw/zinc/88/19/72/598881972.db2.gz XWYAMNIOEVNZLY-ZDUSSCGKSA-N -1 3 382.446 -0.048 20 0 GBADHM COC(=O)[C@@H](NCCCN(C)S(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899151 598881970 /nfs/dbraw/zinc/88/19/70/598881970.db2.gz XWYAMNIOEVNZLY-ZDUSSCGKSA-N -1 3 382.446 -0.048 20 0 GBADHM COC(=O)[C@H](OC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900207 598896302 /nfs/dbraw/zinc/89/63/02/598896302.db2.gz RDVDULCUNGGUOZ-CYBMUJFWSA-N -1 3 386.324 -0.414 20 0 GBADHM COC(=O)[C@H](OC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900207 598896301 /nfs/dbraw/zinc/89/63/01/598896301.db2.gz RDVDULCUNGGUOZ-CYBMUJFWSA-N -1 3 386.324 -0.414 20 0 GBADHM COC(=O)[C@@H](OC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900209 598896191 /nfs/dbraw/zinc/89/61/91/598896191.db2.gz RDVDULCUNGGUOZ-ZDUSSCGKSA-N -1 3 386.324 -0.414 20 0 GBADHM COC(=O)[C@@H](OC(=O)Cn1ccc(=O)[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900209 598896189 /nfs/dbraw/zinc/89/61/89/598896189.db2.gz RDVDULCUNGGUOZ-ZDUSSCGKSA-N -1 3 386.324 -0.414 20 0 GBADHM COC(=O)[C@H](OC(=O)CN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900251 598898025 /nfs/dbraw/zinc/89/80/25/598898025.db2.gz RLZYIEZAPNKYTM-CYBMUJFWSA-N -1 3 395.397 -0.341 20 0 GBADHM COC(=O)[C@H](OC(=O)CN1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900251 598898022 /nfs/dbraw/zinc/89/80/22/598898022.db2.gz RLZYIEZAPNKYTM-CYBMUJFWSA-N -1 3 395.397 -0.341 20 0 GBADHM COC(=O)[C@@H](OC(=O)CN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736900253 598898334 /nfs/dbraw/zinc/89/83/34/598898334.db2.gz RLZYIEZAPNKYTM-ZDUSSCGKSA-N -1 3 395.397 -0.341 20 0 GBADHM COC(=O)[C@@H](OC(=O)CN1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736900253 598898332 /nfs/dbraw/zinc/89/83/32/598898332.db2.gz RLZYIEZAPNKYTM-ZDUSSCGKSA-N -1 3 395.397 -0.341 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000736901109 598861507 /nfs/dbraw/zinc/86/15/07/598861507.db2.gz ITMCMXDTYMSBAK-PXAZEXFGSA-N -1 3 385.384 -0.293 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000736901109 598861506 /nfs/dbraw/zinc/86/15/06/598861506.db2.gz ITMCMXDTYMSBAK-PXAZEXFGSA-N -1 3 385.384 -0.293 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000736901110 598861031 /nfs/dbraw/zinc/86/10/31/598861031.db2.gz ITMCMXDTYMSBAK-SJCJKPOMSA-N -1 3 385.384 -0.293 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000736901110 598861029 /nfs/dbraw/zinc/86/10/29/598861029.db2.gz ITMCMXDTYMSBAK-SJCJKPOMSA-N -1 3 385.384 -0.293 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000736901111 598861533 /nfs/dbraw/zinc/86/15/33/598861533.db2.gz ITMCMXDTYMSBAK-SJKOYZFVSA-N -1 3 385.384 -0.293 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000736901111 598861532 /nfs/dbraw/zinc/86/15/32/598861532.db2.gz ITMCMXDTYMSBAK-SJKOYZFVSA-N -1 3 385.384 -0.293 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000736901112 598861331 /nfs/dbraw/zinc/86/13/31/598861331.db2.gz ITMCMXDTYMSBAK-YVEFUNNKSA-N -1 3 385.384 -0.293 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000736901112 598861330 /nfs/dbraw/zinc/86/13/30/598861330.db2.gz ITMCMXDTYMSBAK-YVEFUNNKSA-N -1 3 385.384 -0.293 20 0 GBADHM COC(=O)[C@H](OC(=O)CCNS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901226 598896893 /nfs/dbraw/zinc/89/68/93/598896893.db2.gz XAJQYWARASOYBW-GFCCVEGCSA-N -1 3 383.386 -0.437 20 0 GBADHM COC(=O)[C@H](OC(=O)CCNS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901226 598896891 /nfs/dbraw/zinc/89/68/91/598896891.db2.gz XAJQYWARASOYBW-GFCCVEGCSA-N -1 3 383.386 -0.437 20 0 GBADHM COC(=O)[C@@H](OC(=O)CCNS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901227 598896698 /nfs/dbraw/zinc/89/66/98/598896698.db2.gz XAJQYWARASOYBW-LBPRGKRZSA-N -1 3 383.386 -0.437 20 0 GBADHM COC(=O)[C@@H](OC(=O)CCNS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901227 598896697 /nfs/dbraw/zinc/89/66/97/598896697.db2.gz XAJQYWARASOYBW-LBPRGKRZSA-N -1 3 383.386 -0.437 20 0 GBADHM COC(=O)[C@H](OC(=O)CN1C(=O)CN(C)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901284 598897220 /nfs/dbraw/zinc/89/72/20/598897220.db2.gz YRCZHBWDVHETMU-CYBMUJFWSA-N -1 3 388.340 -0.482 20 0 GBADHM COC(=O)[C@H](OC(=O)CN1C(=O)CN(C)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901284 598897219 /nfs/dbraw/zinc/89/72/19/598897219.db2.gz YRCZHBWDVHETMU-CYBMUJFWSA-N -1 3 388.340 -0.482 20 0 GBADHM COC(=O)[C@@H](OC(=O)CN1C(=O)CN(C)C1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736901285 598896926 /nfs/dbraw/zinc/89/69/26/598896926.db2.gz YRCZHBWDVHETMU-ZDUSSCGKSA-N -1 3 388.340 -0.482 20 0 GBADHM COC(=O)[C@@H](OC(=O)CN1C(=O)CN(C)C1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736901285 598896925 /nfs/dbraw/zinc/89/69/25/598896925.db2.gz YRCZHBWDVHETMU-ZDUSSCGKSA-N -1 3 388.340 -0.482 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(=O)N(C)C)CC1 ZINC000736901568 598859549 /nfs/dbraw/zinc/85/95/49/598859549.db2.gz LXMHKKVRZKLAHV-INIZCTEOSA-N -1 3 387.444 -0.213 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(=O)N(C)C)CC1 ZINC000736901568 598859548 /nfs/dbraw/zinc/85/95/48/598859548.db2.gz LXMHKKVRZKLAHV-INIZCTEOSA-N -1 3 387.444 -0.213 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(=O)N(C)C)CC1 ZINC000736901569 598859584 /nfs/dbraw/zinc/85/95/84/598859584.db2.gz LXMHKKVRZKLAHV-MRXNPFEDSA-N -1 3 387.444 -0.213 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(=O)N(C)C)CC1 ZINC000736901569 598859583 /nfs/dbraw/zinc/85/95/83/598859583.db2.gz LXMHKKVRZKLAHV-MRXNPFEDSA-N -1 3 387.444 -0.213 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(S(C)(=O)=O)CC1 ZINC000736901600 598859611 /nfs/dbraw/zinc/85/96/11/598859611.db2.gz MNNFMGIAFWUPIA-CYBMUJFWSA-N -1 3 380.430 -0.342 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(S(C)(=O)=O)CC1 ZINC000736901600 598859609 /nfs/dbraw/zinc/85/96/09/598859609.db2.gz MNNFMGIAFWUPIA-CYBMUJFWSA-N -1 3 380.430 -0.342 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(S(C)(=O)=O)CC1 ZINC000736901601 598859227 /nfs/dbraw/zinc/85/92/27/598859227.db2.gz MNNFMGIAFWUPIA-ZDUSSCGKSA-N -1 3 380.430 -0.342 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(S(C)(=O)=O)CC1 ZINC000736901601 598859225 /nfs/dbraw/zinc/85/92/25/598859225.db2.gz MNNFMGIAFWUPIA-ZDUSSCGKSA-N -1 3 380.430 -0.342 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(C(=O)NCCO)CC1 ZINC000736901978 598861422 /nfs/dbraw/zinc/86/14/22/598861422.db2.gz QCPJATNDRAWZMI-HNNXBMFYSA-N -1 3 388.428 -0.099 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC(C(=O)NCCO)CC1 ZINC000736901978 598861420 /nfs/dbraw/zinc/86/14/20/598861420.db2.gz QCPJATNDRAWZMI-HNNXBMFYSA-N -1 3 388.428 -0.099 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(C(=O)NCCO)CC1 ZINC000736901980 598861079 /nfs/dbraw/zinc/86/10/79/598861079.db2.gz QCPJATNDRAWZMI-OAHLLOKOSA-N -1 3 388.428 -0.099 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC(C(=O)NCCO)CC1 ZINC000736901980 598861078 /nfs/dbraw/zinc/86/10/78/598861078.db2.gz QCPJATNDRAWZMI-OAHLLOKOSA-N -1 3 388.428 -0.099 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736902487 598864005 /nfs/dbraw/zinc/86/40/05/598864005.db2.gz UPTKYNQKSJGDER-CHWSQXEVSA-N -1 3 380.430 -0.296 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736902487 598864003 /nfs/dbraw/zinc/86/40/03/598864003.db2.gz UPTKYNQKSJGDER-CHWSQXEVSA-N -1 3 380.430 -0.296 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736902490 598864104 /nfs/dbraw/zinc/86/41/04/598864104.db2.gz UPTKYNQKSJGDER-OLZOCXBDSA-N -1 3 380.430 -0.296 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000736902490 598864103 /nfs/dbraw/zinc/86/41/03/598864103.db2.gz UPTKYNQKSJGDER-OLZOCXBDSA-N -1 3 380.430 -0.296 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736902492 598864110 /nfs/dbraw/zinc/86/41/10/598864110.db2.gz UPTKYNQKSJGDER-QWHCGFSZSA-N -1 3 380.430 -0.296 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736902492 598864109 /nfs/dbraw/zinc/86/41/09/598864109.db2.gz UPTKYNQKSJGDER-QWHCGFSZSA-N -1 3 380.430 -0.296 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736902496 598864093 /nfs/dbraw/zinc/86/40/93/598864093.db2.gz UPTKYNQKSJGDER-STQMWFEESA-N -1 3 380.430 -0.296 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000736902496 598864092 /nfs/dbraw/zinc/86/40/92/598864092.db2.gz UPTKYNQKSJGDER-STQMWFEESA-N -1 3 380.430 -0.296 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000736903242 598859971 /nfs/dbraw/zinc/85/99/71/598859971.db2.gz YHZGFZPOBXUVEC-KRWDZBQOSA-N -1 3 399.455 -0.023 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000736903242 598859968 /nfs/dbraw/zinc/85/99/68/598859968.db2.gz YHZGFZPOBXUVEC-KRWDZBQOSA-N -1 3 399.455 -0.023 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000736903243 598860038 /nfs/dbraw/zinc/86/00/38/598860038.db2.gz YHZGFZPOBXUVEC-QGZVFWFLSA-N -1 3 399.455 -0.023 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000736903243 598860037 /nfs/dbraw/zinc/86/00/37/598860037.db2.gz YHZGFZPOBXUVEC-QGZVFWFLSA-N -1 3 399.455 -0.023 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000736905678 599111411 /nfs/dbraw/zinc/11/14/11/599111411.db2.gz BSFNCJGTDNOKOU-LLVKDONJSA-N -1 3 396.367 -0.624 20 0 GBADHM COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000736905678 599111408 /nfs/dbraw/zinc/11/14/08/599111408.db2.gz BSFNCJGTDNOKOU-LLVKDONJSA-N -1 3 396.367 -0.624 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000736905683 599111419 /nfs/dbraw/zinc/11/14/19/599111419.db2.gz BSFNCJGTDNOKOU-NSHDSACASA-N -1 3 396.367 -0.624 20 0 GBADHM COC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C ZINC000736905683 599111417 /nfs/dbraw/zinc/11/14/17/599111417.db2.gz BSFNCJGTDNOKOU-NSHDSACASA-N -1 3 396.367 -0.624 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736909973 598868838 /nfs/dbraw/zinc/86/88/38/598868838.db2.gz ABYMDZFTSOAVKI-JTQLQIEISA-N -1 3 398.376 -0.942 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736909973 598868836 /nfs/dbraw/zinc/86/88/36/598868836.db2.gz ABYMDZFTSOAVKI-JTQLQIEISA-N -1 3 398.376 -0.942 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736909976 598868677 /nfs/dbraw/zinc/86/86/77/598868677.db2.gz ABYMDZFTSOAVKI-SNVBAGLBSA-N -1 3 398.376 -0.942 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736909976 598868676 /nfs/dbraw/zinc/86/86/76/598868676.db2.gz ABYMDZFTSOAVKI-SNVBAGLBSA-N -1 3 398.376 -0.942 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736910011 598664482 /nfs/dbraw/zinc/66/44/82/598664482.db2.gz ALEYVOKJTSPHHA-GFCCVEGCSA-N -1 3 390.425 -0.151 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736910011 598664480 /nfs/dbraw/zinc/66/44/80/598664480.db2.gz ALEYVOKJTSPHHA-GFCCVEGCSA-N -1 3 390.425 -0.151 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736910013 598664438 /nfs/dbraw/zinc/66/44/38/598664438.db2.gz ALEYVOKJTSPHHA-LBPRGKRZSA-N -1 3 390.425 -0.151 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736910013 598664437 /nfs/dbraw/zinc/66/44/37/598664437.db2.gz ALEYVOKJTSPHHA-LBPRGKRZSA-N -1 3 390.425 -0.151 20 0 GBADHM COC(=O)[C@H]1CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000736910806 598725871 /nfs/dbraw/zinc/72/58/71/598725871.db2.gz CEUZHGLBKFWXJZ-LLVKDONJSA-N -1 3 376.377 -0.743 20 0 GBADHM COC(=O)[C@H]1CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000736910806 598725870 /nfs/dbraw/zinc/72/58/70/598725870.db2.gz CEUZHGLBKFWXJZ-LLVKDONJSA-N -1 3 376.377 -0.743 20 0 GBADHM COC(=O)[C@@H]1CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000736910807 598725780 /nfs/dbraw/zinc/72/57/80/598725780.db2.gz CEUZHGLBKFWXJZ-NSHDSACASA-N -1 3 376.377 -0.743 20 0 GBADHM COC(=O)[C@@H]1CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000736910807 598725779 /nfs/dbraw/zinc/72/57/79/598725779.db2.gz CEUZHGLBKFWXJZ-NSHDSACASA-N -1 3 376.377 -0.743 20 0 GBADHM COC(=O)[C@H]1CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CCO1 ZINC000736910810 598725789 /nfs/dbraw/zinc/72/57/89/598725789.db2.gz COUXPLGQAQTKAM-LLVKDONJSA-N -1 3 376.377 -0.743 20 0 GBADHM COC(=O)[C@H]1CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CCO1 ZINC000736910810 598725787 /nfs/dbraw/zinc/72/57/87/598725787.db2.gz COUXPLGQAQTKAM-LLVKDONJSA-N -1 3 376.377 -0.743 20 0 GBADHM COC(=O)[C@@H]1CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CCO1 ZINC000736910811 598725578 /nfs/dbraw/zinc/72/55/78/598725578.db2.gz COUXPLGQAQTKAM-NSHDSACASA-N -1 3 376.377 -0.743 20 0 GBADHM COC(=O)[C@@H]1CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CCO1 ZINC000736910811 598725577 /nfs/dbraw/zinc/72/55/77/598725577.db2.gz COUXPLGQAQTKAM-NSHDSACASA-N -1 3 376.377 -0.743 20 0 GBADHM COC(=O)C[C@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(=O)OC ZINC000736911210 598949423 /nfs/dbraw/zinc/94/94/23/598949423.db2.gz JJEJRLIQNISWGF-JTQLQIEISA-N -1 3 383.386 -0.442 20 0 GBADHM COC(=O)C[C@H](NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C(=O)OC ZINC000736911210 598949421 /nfs/dbraw/zinc/94/94/21/598949421.db2.gz JJEJRLIQNISWGF-JTQLQIEISA-N -1 3 383.386 -0.442 20 0 GBADHM COC(=O)C[C@@H](NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(=O)OC ZINC000736911211 598949248 /nfs/dbraw/zinc/94/92/48/598949248.db2.gz JJEJRLIQNISWGF-SNVBAGLBSA-N -1 3 383.386 -0.442 20 0 GBADHM COC(=O)C[C@@H](NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C(=O)OC ZINC000736911211 598949246 /nfs/dbraw/zinc/94/92/46/598949246.db2.gz JJEJRLIQNISWGF-SNVBAGLBSA-N -1 3 383.386 -0.442 20 0 GBADHM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCO1 ZINC000736911286 598727323 /nfs/dbraw/zinc/72/73/23/598727323.db2.gz FNTQWAFRDJDCPT-LLVKDONJSA-N -1 3 394.775 -0.141 20 0 GBADHM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000736911286 598727322 /nfs/dbraw/zinc/72/73/22/598727322.db2.gz FNTQWAFRDJDCPT-LLVKDONJSA-N -1 3 394.775 -0.141 20 0 GBADHM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CCO1 ZINC000736911287 598727528 /nfs/dbraw/zinc/72/75/28/598727528.db2.gz FNTQWAFRDJDCPT-NSHDSACASA-N -1 3 394.775 -0.141 20 0 GBADHM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CCO1 ZINC000736911287 598727527 /nfs/dbraw/zinc/72/75/27/598727527.db2.gz FNTQWAFRDJDCPT-NSHDSACASA-N -1 3 394.775 -0.141 20 0 GBADHM COC(=O)[C@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)CCO1 ZINC000736911638 598670380 /nfs/dbraw/zinc/67/03/80/598670380.db2.gz HTSNISSKWKAAEG-CYBMUJFWSA-N -1 3 377.357 -0.346 20 0 GBADHM COC(=O)[C@H]1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)CCO1 ZINC000736911638 598670378 /nfs/dbraw/zinc/67/03/78/598670378.db2.gz HTSNISSKWKAAEG-CYBMUJFWSA-N -1 3 377.357 -0.346 20 0 GBADHM COC(=O)[C@@H]1CN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)CCO1 ZINC000736911642 598670029 /nfs/dbraw/zinc/67/00/29/598670029.db2.gz HTSNISSKWKAAEG-ZDUSSCGKSA-N -1 3 377.357 -0.346 20 0 GBADHM COC(=O)[C@@H]1CN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)CCO1 ZINC000736911642 598670028 /nfs/dbraw/zinc/67/00/28/598670028.db2.gz HTSNISSKWKAAEG-ZDUSSCGKSA-N -1 3 377.357 -0.346 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736911963 598948364 /nfs/dbraw/zinc/94/83/64/598948364.db2.gz NDYYFXTVRNUODC-LLVKDONJSA-N -1 3 394.413 -0.773 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736911963 598948362 /nfs/dbraw/zinc/94/83/62/598948362.db2.gz NDYYFXTVRNUODC-LLVKDONJSA-N -1 3 394.413 -0.773 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736911969 598948114 /nfs/dbraw/zinc/94/81/14/598948114.db2.gz NDYYFXTVRNUODC-NSHDSACASA-N -1 3 394.413 -0.773 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736911969 598948112 /nfs/dbraw/zinc/94/81/12/598948112.db2.gz 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COC(=O)C[C@@H](C)S(=O)(=O)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000736912220 599148050 /nfs/dbraw/zinc/14/80/50/599148050.db2.gz MEZXDLDNVNRYDA-SNVBAGLBSA-N -1 3 381.414 -0.151 20 0 GBADHM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000736912229 598727666 /nfs/dbraw/zinc/72/76/66/598727666.db2.gz MJVRHZKPWAGQFM-LLVKDONJSA-N -1 3 378.320 -0.655 20 0 GBADHM COC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000736912229 598727664 /nfs/dbraw/zinc/72/76/64/598727664.db2.gz MJVRHZKPWAGQFM-LLVKDONJSA-N -1 3 378.320 -0.655 20 0 GBADHM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000736912230 598727634 /nfs/dbraw/zinc/72/76/34/598727634.db2.gz MJVRHZKPWAGQFM-NSHDSACASA-N -1 3 378.320 -0.655 20 0 GBADHM COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000736912230 598727632 /nfs/dbraw/zinc/72/76/32/598727632.db2.gz MJVRHZKPWAGQFM-NSHDSACASA-N -1 3 378.320 -0.655 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C 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/nfs/dbraw/zinc/80/30/49/598803049.db2.gz GCAUVIBEZLYNMU-UHFFFAOYSA-N -1 3 394.731 -0.145 20 0 GBADHM COc1cc(-c2nnn[n-]2)cc(Cl)c1OC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000737024315 598803048 /nfs/dbraw/zinc/80/30/48/598803048.db2.gz GCAUVIBEZLYNMU-UHFFFAOYSA-N -1 3 394.731 -0.145 20 0 GBADHM CON(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000737024520 598431683 /nfs/dbraw/zinc/43/16/83/598431683.db2.gz STQSDBOBNJSSDU-UHFFFAOYSA-N -1 3 395.445 -0.807 20 0 GBADHM CON(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000737024520 598431681 /nfs/dbraw/zinc/43/16/81/598431681.db2.gz STQSDBOBNJSSDU-UHFFFAOYSA-N -1 3 395.445 -0.807 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCCS(=O)(=O)CC1 ZINC000737024618 598693304 /nfs/dbraw/zinc/69/33/04/598693304.db2.gz UPBZIGOBDHDPOT-UHFFFAOYSA-N -1 3 381.414 -0.099 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCCS(=O)(=O)CC1 ZINC000737024618 598693302 /nfs/dbraw/zinc/69/33/02/598693302.db2.gz UPBZIGOBDHDPOT-UHFFFAOYSA-N -1 3 381.414 -0.099 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000737024707 598925112 /nfs/dbraw/zinc/92/51/12/598925112.db2.gz NNOWTQDSGWNXEW-LLVKDONJSA-N -1 3 396.429 -0.466 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000737024707 598925110 /nfs/dbraw/zinc/92/51/10/598925110.db2.gz NNOWTQDSGWNXEW-LLVKDONJSA-N -1 3 396.429 -0.466 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000737024709 598925094 /nfs/dbraw/zinc/92/50/94/598925094.db2.gz NNOWTQDSGWNXEW-NSHDSACASA-N -1 3 396.429 -0.466 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000737024709 598925093 /nfs/dbraw/zinc/92/50/93/598925093.db2.gz NNOWTQDSGWNXEW-NSHDSACASA-N -1 3 396.429 -0.466 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCCN1C(=O)CCC1=O ZINC000737024914 598362299 /nfs/dbraw/zinc/36/22/99/598362299.db2.gz USMNTJCJXQJDIR-UHFFFAOYSA-N -1 3 388.384 -0.091 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCCCN1C(=O)CCC1=O ZINC000737024914 598362297 /nfs/dbraw/zinc/36/22/97/598362297.db2.gz USMNTJCJXQJDIR-UHFFFAOYSA-N -1 3 388.384 -0.091 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000737024915 598893426 /nfs/dbraw/zinc/89/34/26/598893426.db2.gz UTMHDUXZZCUEKB-LLVKDONJSA-N -1 3 381.414 -0.053 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000737024915 598893425 /nfs/dbraw/zinc/89/34/25/598893425.db2.gz UTMHDUXZZCUEKB-LLVKDONJSA-N -1 3 381.414 -0.053 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000737024916 598893169 /nfs/dbraw/zinc/89/31/69/598893169.db2.gz UTMHDUXZZCUEKB-NSHDSACASA-N -1 3 381.414 -0.053 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000737024916 598893167 /nfs/dbraw/zinc/89/31/67/598893167.db2.gz UTMHDUXZZCUEKB-NSHDSACASA-N -1 3 381.414 -0.053 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCCN(C(N)=O)CC1 ZINC000737024922 598820773 /nfs/dbraw/zinc/82/07/73/598820773.db2.gz UYFUMXQLOVIRMM-UHFFFAOYSA-N -1 3 375.389 -0.133 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCCN(C(N)=O)CC1 ZINC000737024922 598820771 /nfs/dbraw/zinc/82/07/71/598820771.db2.gz UYFUMXQLOVIRMM-UHFFFAOYSA-N -1 3 375.389 -0.133 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCN(C[C@@H](C)O)CC1 ZINC000737025080 598346769 /nfs/dbraw/zinc/34/67/69/598346769.db2.gz XFYFJFGEMKPURB-GFCCVEGCSA-N -1 3 376.417 -0.221 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCN(C[C@H](C)O)CC1 ZINC000737025083 598346472 /nfs/dbraw/zinc/34/64/72/598346472.db2.gz XFYFJFGEMKPURB-LBPRGKRZSA-N -1 3 376.417 -0.221 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000737025167 598384169 /nfs/dbraw/zinc/38/41/69/598384169.db2.gz OKBCBEVGNXFTPL-LLVKDONJSA-N -1 3 386.368 -0.340 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C1CC1)[C@@H]1CC(=O)NC1=O ZINC000737025167 598384167 /nfs/dbraw/zinc/38/41/67/598384167.db2.gz OKBCBEVGNXFTPL-LLVKDONJSA-N -1 3 386.368 -0.340 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000737025175 598384232 /nfs/dbraw/zinc/38/42/32/598384232.db2.gz OKBCBEVGNXFTPL-NSHDSACASA-N -1 3 386.368 -0.340 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C1CC1)[C@H]1CC(=O)NC1=O ZINC000737025175 598384230 /nfs/dbraw/zinc/38/42/30/598384230.db2.gz OKBCBEVGNXFTPL-NSHDSACASA-N -1 3 386.368 -0.340 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000737026475 599204018 /nfs/dbraw/zinc/20/40/18/599204018.db2.gz VUXDVJKOKWUCCY-LLVKDONJSA-N -1 3 396.429 -0.596 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000737026475 599204016 /nfs/dbraw/zinc/20/40/16/599204016.db2.gz VUXDVJKOKWUCCY-LLVKDONJSA-N -1 3 396.429 -0.596 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000737026476 599204819 /nfs/dbraw/zinc/20/48/19/599204819.db2.gz VUXDVJKOKWUCCY-NSHDSACASA-N -1 3 396.429 -0.596 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000737026476 599204817 /nfs/dbraw/zinc/20/48/17/599204817.db2.gz VUXDVJKOKWUCCY-NSHDSACASA-N -1 3 396.429 -0.596 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000737026548 598648834 /nfs/dbraw/zinc/64/88/34/598648834.db2.gz YMYMWSFACWLJSJ-GFCCVEGCSA-N -1 3 388.384 -0.092 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000737026548 598648833 /nfs/dbraw/zinc/64/88/33/598648833.db2.gz YMYMWSFACWLJSJ-GFCCVEGCSA-N -1 3 388.384 -0.092 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000737026549 598649159 /nfs/dbraw/zinc/64/91/59/598649159.db2.gz YMYMWSFACWLJSJ-LBPRGKRZSA-N -1 3 388.384 -0.092 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000737026549 598649157 /nfs/dbraw/zinc/64/91/57/598649157.db2.gz YMYMWSFACWLJSJ-LBPRGKRZSA-N -1 3 388.384 -0.092 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000737030839 598987535 /nfs/dbraw/zinc/98/75/35/598987535.db2.gz APILJIISJLGLJB-GFCCVEGCSA-N -1 3 382.446 -0.122 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CC[C@H](NS(C)(=O)=O)C1 ZINC000737030843 598987402 /nfs/dbraw/zinc/98/74/02/598987402.db2.gz APILJIISJLGLJB-LBPRGKRZSA-N -1 3 382.446 -0.122 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(S(C)(=O)=O)CC1 ZINC000737031269 598980407 /nfs/dbraw/zinc/98/04/07/598980407.db2.gz DJOJQGLNIGRYPD-UHFFFAOYSA-N -1 3 382.446 -0.169 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCN(S(C)(=O)=O)CC1 ZINC000737031269 598980405 /nfs/dbraw/zinc/98/04/05/598980405.db2.gz DJOJQGLNIGRYPD-UHFFFAOYSA-N -1 3 382.446 -0.169 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(CC(=O)N(C)C)CC1 ZINC000737031320 598980185 /nfs/dbraw/zinc/98/01/85/598980185.db2.gz FPPWGCGLQBLAGD-UHFFFAOYSA-N -1 3 389.460 -0.040 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccn(CCC(N)=O)n1 ZINC000737032223 599259797 /nfs/dbraw/zinc/25/97/97/599259797.db2.gz FUJCIMLFABDADG-UHFFFAOYSA-N -1 3 386.372 -0.035 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1ccn(CCC(N)=O)n1 ZINC000737032223 599259795 /nfs/dbraw/zinc/25/97/95/599259795.db2.gz FUJCIMLFABDADG-UHFFFAOYSA-N -1 3 386.372 -0.035 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000737032238 599191822 /nfs/dbraw/zinc/19/18/22/599191822.db2.gz GKTKFACOFICBCH-UHFFFAOYSA-N -1 3 387.356 -0.710 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1cn(C)c(=O)n(C)c1=O ZINC000737032238 599191821 /nfs/dbraw/zinc/19/18/21/599191821.db2.gz GKTKFACOFICBCH-UHFFFAOYSA-N -1 3 387.356 -0.710 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCS(=O)(=O)Cc1nnnn1C ZINC000737032750 599019811 /nfs/dbraw/zinc/01/98/11/599019811.db2.gz OBXKJIKGBCPIBI-UHFFFAOYSA-N -1 3 380.390 -0.607 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCCS(=O)(=O)Cc1nnnn1C ZINC000737032750 599019809 /nfs/dbraw/zinc/01/98/09/599019809.db2.gz OBXKJIKGBCPIBI-UHFFFAOYSA-N -1 3 380.390 -0.607 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(S(N)(=O)=O)CC1 ZINC000737033635 598981146 /nfs/dbraw/zinc/98/11/46/598981146.db2.gz VVCVIFXLYMCUTP-UHFFFAOYSA-N -1 3 383.434 -0.925 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCN(S(N)(=O)=O)CC1 ZINC000737033635 598981144 /nfs/dbraw/zinc/98/11/44/598981144.db2.gz VVCVIFXLYMCUTP-UHFFFAOYSA-N -1 3 383.434 -0.925 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000737055190 598908309 /nfs/dbraw/zinc/90/83/09/598908309.db2.gz ALHZHDOLKQDATG-UHFFFAOYSA-N -1 3 380.386 -0.929 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCS(=O)(=O)CC1 ZINC000737055190 598908308 /nfs/dbraw/zinc/90/83/08/598908308.db2.gz ALHZHDOLKQDATG-UHFFFAOYSA-N -1 3 380.386 -0.929 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000737055264 599149995 /nfs/dbraw/zinc/14/99/95/599149995.db2.gz CBIRETMISDZRBA-GFCCVEGCSA-N -1 3 390.400 -0.186 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H](OCCO)C1 ZINC000737055264 599149992 /nfs/dbraw/zinc/14/99/92/599149992.db2.gz CBIRETMISDZRBA-GFCCVEGCSA-N -1 3 390.400 -0.186 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H](OCCO)C1 ZINC000737055265 599149492 /nfs/dbraw/zinc/14/94/92/599149492.db2.gz CBIRETMISDZRBA-LBPRGKRZSA-N -1 3 390.400 -0.186 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H](OCCO)C1 ZINC000737055265 599149489 /nfs/dbraw/zinc/14/94/89/599149489.db2.gz CBIRETMISDZRBA-LBPRGKRZSA-N -1 3 390.400 -0.186 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000737055613 598761819 /nfs/dbraw/zinc/76/18/19/598761819.db2.gz HRKNYGOEVMOMLP-SECBINFHSA-N -1 3 396.429 -0.295 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)[C@H](C)CS(C)(=O)=O ZINC000737055613 598761817 /nfs/dbraw/zinc/76/18/17/598761817.db2.gz HRKNYGOEVMOMLP-SECBINFHSA-N -1 3 396.429 -0.295 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000737055617 598761719 /nfs/dbraw/zinc/76/17/19/598761719.db2.gz HRKNYGOEVMOMLP-VIFPVBQESA-N -1 3 396.429 -0.295 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)[C@@H](C)CS(C)(=O)=O ZINC000737055617 598761716 /nfs/dbraw/zinc/76/17/16/598761716.db2.gz HRKNYGOEVMOMLP-VIFPVBQESA-N -1 3 396.429 -0.295 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000737055848 598908640 /nfs/dbraw/zinc/90/86/40/598908640.db2.gz IQSBQPAIYDNDPB-SECBINFHSA-N -1 3 394.413 -0.541 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000737055848 598908639 /nfs/dbraw/zinc/90/86/39/598908639.db2.gz IQSBQPAIYDNDPB-SECBINFHSA-N -1 3 394.413 -0.541 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000737055849 598908720 /nfs/dbraw/zinc/90/87/20/598908720.db2.gz IQSBQPAIYDNDPB-VIFPVBQESA-N -1 3 394.413 -0.541 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000737055849 598908719 /nfs/dbraw/zinc/90/87/19/598908719.db2.gz IQSBQPAIYDNDPB-VIFPVBQESA-N -1 3 394.413 -0.541 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CCS(C)(=O)=O ZINC000737055978 598565451 /nfs/dbraw/zinc/56/54/51/598565451.db2.gz JMEAZSKHMOJOAF-UHFFFAOYSA-N -1 3 382.402 -0.683 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)CCS(C)(=O)=O ZINC000737055978 598565450 /nfs/dbraw/zinc/56/54/50/598565450.db2.gz JMEAZSKHMOJOAF-UHFFFAOYSA-N -1 3 382.402 -0.683 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000737056225 599616412 /nfs/dbraw/zinc/61/64/12/599616412.db2.gz AAYFNYVHDLTOFV-GXSJLCMTSA-N -1 3 387.400 -0.026 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000737056225 599616410 /nfs/dbraw/zinc/61/64/10/599616410.db2.gz AAYFNYVHDLTOFV-GXSJLCMTSA-N -1 3 387.400 -0.026 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000737056226 599616634 /nfs/dbraw/zinc/61/66/34/599616634.db2.gz AAYFNYVHDLTOFV-KOLCDFICSA-N -1 3 387.400 -0.026 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000737056226 599616632 /nfs/dbraw/zinc/61/66/32/599616632.db2.gz AAYFNYVHDLTOFV-KOLCDFICSA-N -1 3 387.400 -0.026 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000737056227 599616665 /nfs/dbraw/zinc/61/66/65/599616665.db2.gz AAYFNYVHDLTOFV-MWLCHTKSSA-N -1 3 387.400 -0.026 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000737056227 599616664 /nfs/dbraw/zinc/61/66/64/599616664.db2.gz AAYFNYVHDLTOFV-MWLCHTKSSA-N -1 3 387.400 -0.026 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000737056228 599616687 /nfs/dbraw/zinc/61/66/87/599616687.db2.gz AAYFNYVHDLTOFV-ONGXEEELSA-N -1 3 387.400 -0.026 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000737056228 599616686 /nfs/dbraw/zinc/61/66/86/599616686.db2.gz AAYFNYVHDLTOFV-ONGXEEELSA-N -1 3 387.400 -0.026 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000737056275 598968229 /nfs/dbraw/zinc/96/82/29/598968229.db2.gz BKDHCBOWBBXXMK-LLVKDONJSA-N -1 3 387.400 -0.061 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000737056275 598968227 /nfs/dbraw/zinc/96/82/27/598968227.db2.gz BKDHCBOWBBXXMK-LLVKDONJSA-N -1 3 387.400 -0.061 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000737056276 598968670 /nfs/dbraw/zinc/96/86/70/598968670.db2.gz BKDHCBOWBBXXMK-NSHDSACASA-N -1 3 387.400 -0.061 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000737056276 598968669 /nfs/dbraw/zinc/96/86/69/598968669.db2.gz BKDHCBOWBBXXMK-NSHDSACASA-N -1 3 387.400 -0.061 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCS(C)(=O)=O ZINC000737056284 599511754 /nfs/dbraw/zinc/51/17/54/599511754.db2.gz BVTVZQNOLSXHAU-UHFFFAOYSA-N -1 3 382.402 -0.635 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCS(C)(=O)=O ZINC000737056284 599511753 /nfs/dbraw/zinc/51/17/53/599511753.db2.gz BVTVZQNOLSXHAU-UHFFFAOYSA-N -1 3 382.402 -0.635 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1C(=O)CCC1=O ZINC000737056978 599516779 /nfs/dbraw/zinc/51/67/79/599516779.db2.gz FQJBSCFYKWZBJJ-UHFFFAOYSA-N -1 3 387.356 -0.921 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCN1C(=O)CCC1=O ZINC000737056978 599516777 /nfs/dbraw/zinc/51/67/77/599516777.db2.gz FQJBSCFYKWZBJJ-UHFFFAOYSA-N -1 3 387.356 -0.921 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1CCO[C@H](C)C1 ZINC000737057051 598305382 /nfs/dbraw/zinc/30/53/82/598305382.db2.gz GGXAMEBSTPBWNF-LLVKDONJSA-N -1 3 389.416 -0.349 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCN1CCO[C@H](C)C1 ZINC000737057051 598305381 /nfs/dbraw/zinc/30/53/81/598305381.db2.gz GGXAMEBSTPBWNF-LLVKDONJSA-N -1 3 389.416 -0.349 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1CCO[C@@H](C)C1 ZINC000737057054 598305223 /nfs/dbraw/zinc/30/52/23/598305223.db2.gz GGXAMEBSTPBWNF-NSHDSACASA-N -1 3 389.416 -0.349 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCN1CCO[C@@H](C)C1 ZINC000737057054 598305221 /nfs/dbraw/zinc/30/52/21/598305221.db2.gz GGXAMEBSTPBWNF-NSHDSACASA-N -1 3 389.416 -0.349 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000737057166 598431717 /nfs/dbraw/zinc/43/17/17/598431717.db2.gz HEOQTQIVTXBZFQ-LLVKDONJSA-N -1 3 397.399 -0.155 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000737057166 598431716 /nfs/dbraw/zinc/43/17/16/598431716.db2.gz HEOQTQIVTXBZFQ-LLVKDONJSA-N -1 3 397.399 -0.155 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000737057171 598431839 /nfs/dbraw/zinc/43/18/39/598431839.db2.gz HEOQTQIVTXBZFQ-NSHDSACASA-N -1 3 397.399 -0.155 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000737057171 598431837 /nfs/dbraw/zinc/43/18/37/598431837.db2.gz HEOQTQIVTXBZFQ-NSHDSACASA-N -1 3 397.399 -0.155 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCn2c(C)nnc2C1 ZINC000737057210 598734325 /nfs/dbraw/zinc/73/43/25/598734325.db2.gz HKZICMZSBCAXDN-UHFFFAOYSA-N -1 3 383.372 -0.244 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCn2c(C)nnc2C1 ZINC000737057210 598734323 /nfs/dbraw/zinc/73/43/23/598734323.db2.gz HKZICMZSBCAXDN-UHFFFAOYSA-N -1 3 383.372 -0.244 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N(C)CCN1CCCC1=O ZINC000737057310 598854741 /nfs/dbraw/zinc/85/47/41/598854741.db2.gz QPPHQYFJRQCMJO-UHFFFAOYSA-N -1 3 387.400 -0.105 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N(C)CCN1CCCC1=O ZINC000737057310 598854739 /nfs/dbraw/zinc/85/47/39/598854739.db2.gz QPPHQYFJRQCMJO-UHFFFAOYSA-N -1 3 387.400 -0.105 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CCC(=O)NCCNC(C)=O ZINC000737057664 599304258 /nfs/dbraw/zinc/30/42/58/599304258.db2.gz HQADVNVNPQZAFW-UHFFFAOYSA-N -1 3 375.389 -0.154 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CCC(=O)NCCNC(C)=O ZINC000737057664 599304255 /nfs/dbraw/zinc/30/42/55/599304255.db2.gz HQADVNVNPQZAFW-UHFFFAOYSA-N -1 3 375.389 -0.154 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000737057679 598657386 /nfs/dbraw/zinc/65/73/86/598657386.db2.gz HYHFFCYAXIQIHQ-CYBMUJFWSA-N -1 3 387.400 -0.059 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@H]1CCCN1C(=O)CNC(C)=O ZINC000737057679 598657384 /nfs/dbraw/zinc/65/73/84/598657384.db2.gz HYHFFCYAXIQIHQ-CYBMUJFWSA-N -1 3 387.400 -0.059 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000737057680 598657439 /nfs/dbraw/zinc/65/74/39/598657439.db2.gz HYHFFCYAXIQIHQ-ZDUSSCGKSA-N -1 3 387.400 -0.059 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O ZINC000737057680 598657437 /nfs/dbraw/zinc/65/74/37/598657437.db2.gz HYHFFCYAXIQIHQ-ZDUSSCGKSA-N -1 3 387.400 -0.059 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1(C(N)=O)CCCC1 ZINC000737057868 599149663 /nfs/dbraw/zinc/14/96/63/599149663.db2.gz JWMFEYZHQVUVTE-UHFFFAOYSA-N -1 3 387.400 -0.024 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC1(C(N)=O)CCCC1 ZINC000737057868 599149662 /nfs/dbraw/zinc/14/96/62/599149662.db2.gz JWMFEYZHQVUVTE-UHFFFAOYSA-N -1 3 387.400 -0.024 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1cc(S(N)(=O)=O)cn1 ZINC000737058364 598359487 /nfs/dbraw/zinc/35/94/87/598359487.db2.gz KUJUFJQUZPRNQZ-UHFFFAOYSA-N -1 3 378.374 -0.642 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCNc1cnccn1 ZINC000737058575 599511774 /nfs/dbraw/zinc/51/17/74/599511774.db2.gz MZQUHOQSFQLJAU-UHFFFAOYSA-N -1 3 383.372 -0.168 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](O)C1CCOCC1 ZINC000737058786 599516746 /nfs/dbraw/zinc/51/67/46/599516746.db2.gz OJRNWANCVTYWQM-CYBMUJFWSA-N -1 3 390.400 -0.283 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](O)C1CCOCC1 ZINC000737058786 599516744 /nfs/dbraw/zinc/51/67/44/599516744.db2.gz OJRNWANCVTYWQM-CYBMUJFWSA-N -1 3 390.400 -0.283 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](O)C1CCOCC1 ZINC000737058788 599516674 /nfs/dbraw/zinc/51/66/74/599516674.db2.gz OJRNWANCVTYWQM-ZDUSSCGKSA-N -1 3 390.400 -0.283 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](O)C1CCOCC1 ZINC000737058788 599516672 /nfs/dbraw/zinc/51/66/72/599516672.db2.gz OJRNWANCVTYWQM-ZDUSSCGKSA-N -1 3 390.400 -0.283 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1CCSCC1 ZINC000737058969 598784622 /nfs/dbraw/zinc/78/46/22/598784622.db2.gz QJYNRGSUPDMWRD-UHFFFAOYSA-N -1 3 391.457 -0.021 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000737059234 598290053 /nfs/dbraw/zinc/29/00/53/598290053.db2.gz SROGOXIBPPTGFK-LLVKDONJSA-N -1 3 389.416 -0.349 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCN1CCOC[C@H]1C ZINC000737059234 598290051 /nfs/dbraw/zinc/29/00/51/598290051.db2.gz SROGOXIBPPTGFK-LLVKDONJSA-N -1 3 389.416 -0.349 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000737059235 598291769 /nfs/dbraw/zinc/29/17/69/598291769.db2.gz SROGOXIBPPTGFK-NSHDSACASA-N -1 3 389.416 -0.349 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCN1CCOC[C@@H]1C ZINC000737059235 598291768 /nfs/dbraw/zinc/29/17/68/598291768.db2.gz SROGOXIBPPTGFK-NSHDSACASA-N -1 3 389.416 -0.349 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(=O)Nc1cccnc1 ZINC000737059508 599514225 /nfs/dbraw/zinc/51/42/25/599514225.db2.gz VLBFAJGVIWUYCO-UHFFFAOYSA-N -1 3 396.367 -0.036 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000737059518 599284052 /nfs/dbraw/zinc/28/40/52/599284052.db2.gz VXHUJICSLPDAFU-LLVKDONJSA-N -1 3 375.389 -0.739 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CN(C)CCO1 ZINC000737059519 599284207 /nfs/dbraw/zinc/28/42/07/599284207.db2.gz VXHUJICSLPDAFU-NSHDSACASA-N -1 3 375.389 -0.739 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCN1CCOC1=O ZINC000737059520 598641662 /nfs/dbraw/zinc/64/16/62/598641662.db2.gz VYRSDOMSDKKTSI-UHFFFAOYSA-N -1 3 389.372 -0.228 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCN1CCOC1=O ZINC000737059520 598641661 /nfs/dbraw/zinc/64/16/61/598641661.db2.gz VYRSDOMSDKKTSI-UHFFFAOYSA-N -1 3 389.372 -0.228 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000737059599 598855817 /nfs/dbraw/zinc/85/58/17/598855817.db2.gz XIHIQOULCYLJNS-MRVPVSSYSA-N -1 3 382.402 -0.637 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)CS(C)(=O)=O ZINC000737059599 598855816 /nfs/dbraw/zinc/85/58/16/598855816.db2.gz XIHIQOULCYLJNS-MRVPVSSYSA-N -1 3 382.402 -0.637 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000737059605 598855948 /nfs/dbraw/zinc/85/59/48/598855948.db2.gz XIHIQOULCYLJNS-QMMMGPOBSA-N -1 3 382.402 -0.637 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)CS(C)(=O)=O ZINC000737059605 598855947 /nfs/dbraw/zinc/85/59/47/598855947.db2.gz XIHIQOULCYLJNS-QMMMGPOBSA-N -1 3 382.402 -0.637 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCOC[C@@H]1CCOC1 ZINC000737059986 598600635 /nfs/dbraw/zinc/60/06/35/598600635.db2.gz YYIJMPQFJDJOOF-LLVKDONJSA-N -1 3 390.400 -0.017 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCOC[C@@H]1CCOC1 ZINC000737059986 598600633 /nfs/dbraw/zinc/60/06/33/598600633.db2.gz YYIJMPQFJDJOOF-LLVKDONJSA-N -1 3 390.400 -0.017 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCOC[C@H]1CCOC1 ZINC000737059988 598601107 /nfs/dbraw/zinc/60/11/07/598601107.db2.gz YYIJMPQFJDJOOF-NSHDSACASA-N -1 3 390.400 -0.017 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCOC[C@H]1CCOC1 ZINC000737059988 598601106 /nfs/dbraw/zinc/60/11/06/598601106.db2.gz YYIJMPQFJDJOOF-NSHDSACASA-N -1 3 390.400 -0.017 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000737064113 599058594 /nfs/dbraw/zinc/05/85/94/599058594.db2.gz UIXOZLPUAJRIIH-UHFFFAOYSA-N -1 3 396.429 -0.064 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NCC1(O)CCS(=O)(=O)CC1 ZINC000737064113 599058591 /nfs/dbraw/zinc/05/85/91/599058591.db2.gz UIXOZLPUAJRIIH-UHFFFAOYSA-N -1 3 396.429 -0.064 20 0 GBADHM CCN(CC)CC(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000737085495 600107119 /nfs/dbraw/zinc/10/71/19/600107119.db2.gz MSMGPLNTQUWAMD-UHFFFAOYSA-N -1 3 390.506 -0.486 20 0 GBADHM CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000737117413 600467768 /nfs/dbraw/zinc/46/77/68/600467768.db2.gz ZPILGKDPWZEQPS-HNNXBMFYSA-N -1 3 390.440 -0.031 20 0 GBADHM CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000737117414 600467549 /nfs/dbraw/zinc/46/75/49/600467549.db2.gz ZPILGKDPWZEQPS-OAHLLOKOSA-N -1 3 390.440 -0.031 20 0 GBADHM CS(=O)(=O)CCCC(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737160741 598542008 /nfs/dbraw/zinc/54/20/08/598542008.db2.gz CQMLJBNGKHTSPS-UHFFFAOYSA-N -1 3 381.414 -0.149 20 0 GBADHM CS(=O)(=O)CCCC(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737160741 598542006 /nfs/dbraw/zinc/54/20/06/598542006.db2.gz CQMLJBNGKHTSPS-UHFFFAOYSA-N -1 3 381.414 -0.149 20 0 GBADHM CS(=O)(=O)CCCC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737160792 598534398 /nfs/dbraw/zinc/53/43/98/598534398.db2.gz DYVWRWYIHNVJTK-UHFFFAOYSA-N -1 3 379.446 -0.265 20 0 GBADHM CS(=O)(=O)CCCC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737160792 598534396 /nfs/dbraw/zinc/53/43/96/598534396.db2.gz DYVWRWYIHNVJTK-UHFFFAOYSA-N -1 3 379.446 -0.265 20 0 GBADHM CS(=O)(=O)CCCC(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737161443 598541999 /nfs/dbraw/zinc/54/19/99/598541999.db2.gz JYQNNIFBLSPJCL-UHFFFAOYSA-N -1 3 381.414 -0.149 20 0 GBADHM CS(=O)(=O)CCCC(=O)OCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737161443 598541998 /nfs/dbraw/zinc/54/19/98/598541998.db2.gz JYQNNIFBLSPJCL-UHFFFAOYSA-N -1 3 381.414 -0.149 20 0 GBADHM CS(=O)(=O)CCCC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737161514 598534194 /nfs/dbraw/zinc/53/41/94/598534194.db2.gz LTBLXUBWQUXSNH-UHFFFAOYSA-N -1 3 379.446 -0.265 20 0 GBADHM CS(=O)(=O)CCCC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737161514 598534193 /nfs/dbraw/zinc/53/41/93/598534193.db2.gz LTBLXUBWQUXSNH-UHFFFAOYSA-N -1 3 379.446 -0.265 20 0 GBADHM CS(=O)(=O)CCNC(=S)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737161612 598789003 /nfs/dbraw/zinc/78/90/03/598789003.db2.gz ASTXXLDOIAOJBZ-UHFFFAOYSA-N -1 3 396.502 -0.697 20 0 GBADHM CS(=O)(=O)CCNC(=S)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737161612 598789001 /nfs/dbraw/zinc/78/90/01/598789001.db2.gz ASTXXLDOIAOJBZ-UHFFFAOYSA-N -1 3 396.502 -0.697 20 0 GBADHM CS(=O)(=O)CCNC(=S)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000737161796 598789156 /nfs/dbraw/zinc/78/91/56/598789156.db2.gz FJEBMKSXEBGGAH-UHFFFAOYSA-N -1 3 396.502 -0.697 20 0 GBADHM CS(=O)(=O)CCNC(=S)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000737161796 598789154 /nfs/dbraw/zinc/78/91/54/598789154.db2.gz FJEBMKSXEBGGAH-UHFFFAOYSA-N -1 3 396.502 -0.697 20 0 GBADHM CS(=O)(=O)CCCS(=O)(=O)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737162133 598716908 /nfs/dbraw/zinc/71/69/08/598716908.db2.gz JMEOWTIVCODYEN-UHFFFAOYSA-N -1 3 387.443 -0.345 20 0 GBADHM CS(=O)(=O)CCCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737162368 598533970 /nfs/dbraw/zinc/53/39/70/598533970.db2.gz PVZLBCKABPZJMF-UHFFFAOYSA-N -1 3 379.446 -0.265 20 0 GBADHM CS(=O)(=O)CCCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737162368 598533968 /nfs/dbraw/zinc/53/39/68/598533968.db2.gz PVZLBCKABPZJMF-UHFFFAOYSA-N -1 3 379.446 -0.265 20 0 GBADHM CS(=O)(=O)CCN1CCC(NC(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737162398 598591184 /nfs/dbraw/zinc/59/11/84/598591184.db2.gz JYBPZFQZCWDOAE-UHFFFAOYSA-N -1 3 379.446 -0.500 20 0 GBADHM CS(=O)(=O)CCN1CCC(NC(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737162398 598591182 /nfs/dbraw/zinc/59/11/82/598591182.db2.gz JYBPZFQZCWDOAE-UHFFFAOYSA-N -1 3 379.446 -0.500 20 0 GBADHM CS(=O)(=O)CCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737162434 598284016 /nfs/dbraw/zinc/28/40/16/598284016.db2.gz KHCVTNUVUCPIOY-UHFFFAOYSA-N -1 3 379.446 -0.257 20 0 GBADHM CS(=O)(=O)CCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737162434 598284014 /nfs/dbraw/zinc/28/40/14/598284014.db2.gz KHCVTNUVUCPIOY-UHFFFAOYSA-N -1 3 379.446 -0.257 20 0 GBADHM CS(=O)(=O)CCCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737162548 598436228 /nfs/dbraw/zinc/43/62/28/598436228.db2.gz MYYCWVCSDAAYPO-UHFFFAOYSA-N -1 3 390.429 -0.201 20 0 GBADHM CS(=O)(=O)CCCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737162548 598436227 /nfs/dbraw/zinc/43/62/27/598436227.db2.gz MYYCWVCSDAAYPO-UHFFFAOYSA-N -1 3 390.429 -0.201 20 0 GBADHM CS(=O)(=O)CCNC(=S)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000737162897 598789122 /nfs/dbraw/zinc/78/91/22/598789122.db2.gz OYYQIHHBOQDKHK-UHFFFAOYSA-N -1 3 396.502 -0.697 20 0 GBADHM CS(=O)(=O)CCNC(=S)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000737162897 598789120 /nfs/dbraw/zinc/78/91/20/598789120.db2.gz OYYQIHHBOQDKHK-UHFFFAOYSA-N -1 3 396.502 -0.697 20 0 GBADHM CS(=O)(=O)CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737162909 598434890 /nfs/dbraw/zinc/43/48/90/598434890.db2.gz PGZXXXVNVVIPKH-UHFFFAOYSA-N -1 3 376.402 -0.591 20 0 GBADHM CS(=O)(=O)CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737162909 598434889 /nfs/dbraw/zinc/43/48/89/598434889.db2.gz PGZXXXVNVVIPKH-UHFFFAOYSA-N -1 3 376.402 -0.591 20 0 GBADHM CS(=O)(=O)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737163041 598283941 /nfs/dbraw/zinc/28/39/41/598283941.db2.gz RQYDRFVLCBGCPH-UHFFFAOYSA-N -1 3 397.436 -0.118 20 0 GBADHM CS(=O)(=O)CCNC(=S)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737163065 598788756 /nfs/dbraw/zinc/78/87/56/598788756.db2.gz RZVCBJLBTVUPFH-UHFFFAOYSA-N -1 3 395.514 -0.092 20 0 GBADHM CS(=O)(=O)CCNC(=S)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737163065 598788755 /nfs/dbraw/zinc/78/87/55/598788755.db2.gz RZVCBJLBTVUPFH-UHFFFAOYSA-N -1 3 395.514 -0.092 20 0 GBADHM CS(=O)(=O)CCCS(=O)(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737163157 599003197 /nfs/dbraw/zinc/00/31/97/599003197.db2.gz UIGLWINIHYSMRN-UHFFFAOYSA-N -1 3 377.423 -0.140 20 0 GBADHM CS(=O)(=O)CCCS(=O)(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737163157 599003195 /nfs/dbraw/zinc/00/31/95/599003195.db2.gz UIGLWINIHYSMRN-UHFFFAOYSA-N -1 3 377.423 -0.140 20 0 GBADHM CS(=O)(=O)CCCS(=O)(=O)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737163523 598717131 /nfs/dbraw/zinc/71/71/31/598717131.db2.gz XKESMDVHVIZXPH-UHFFFAOYSA-N -1 3 387.443 -0.345 20 0 GBADHM CS(=O)(=O)CCCS(=O)(=O)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737163523 598717129 /nfs/dbraw/zinc/71/71/29/598717129.db2.gz XKESMDVHVIZXPH-UHFFFAOYSA-N -1 3 387.443 -0.345 20 0 GBADHM CS(=O)(=O)CCCS(=O)(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737163538 598998739 /nfs/dbraw/zinc/99/87/39/598998739.db2.gz YHIYYZRQTBEMBI-UHFFFAOYSA-N -1 3 389.463 -0.972 20 0 GBADHM CS(=O)(=O)CCCS(=O)(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737163538 598998738 /nfs/dbraw/zinc/99/87/38/598998738.db2.gz YHIYYZRQTBEMBI-UHFFFAOYSA-N -1 3 389.463 -0.972 20 0 GBADHM CS(=O)(=O)CCCS(=O)(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737163580 599000415 /nfs/dbraw/zinc/00/04/15/599000415.db2.gz ZPQUMVWUNZVWHG-UHFFFAOYSA-N -1 3 389.463 -0.972 20 0 GBADHM CS(=O)(=O)CCCS(=O)(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737163580 599000414 /nfs/dbraw/zinc/00/04/14/599000414.db2.gz ZPQUMVWUNZVWHG-UHFFFAOYSA-N -1 3 389.463 -0.972 20 0 GBADHM CS(=O)(=O)N1CCC(C(=O)OCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000737164758 598735511 /nfs/dbraw/zinc/73/55/11/598735511.db2.gz BJZUHGRAQCSLNV-UHFFFAOYSA-N -1 3 395.445 -0.112 20 0 GBADHM CS(=O)(=O)N1CCC(C(=O)OCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000737164758 598735509 /nfs/dbraw/zinc/73/55/09/598735509.db2.gz BJZUHGRAQCSLNV-UHFFFAOYSA-N -1 3 395.445 -0.112 20 0 GBADHM CS(=O)(=O)Cc1noc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)n1 ZINC000737164827 599393945 /nfs/dbraw/zinc/39/39/45/599393945.db2.gz BVZSQTPIQFFBPB-UHFFFAOYSA-N -1 3 379.358 -0.188 20 0 GBADHM CS(=O)(=O)Cc1noc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)n1 ZINC000737164827 599393942 /nfs/dbraw/zinc/39/39/42/599393942.db2.gz BVZSQTPIQFFBPB-UHFFFAOYSA-N -1 3 379.358 -0.188 20 0 GBADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737164866 598605476 /nfs/dbraw/zinc/60/54/76/598605476.db2.gz CMEOUKXOFZCJOO-JTQLQIEISA-N -1 3 384.422 -0.997 20 0 GBADHM CS(=O)(=O)N1CCCC[C@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737164866 598605475 /nfs/dbraw/zinc/60/54/75/598605475.db2.gz CMEOUKXOFZCJOO-JTQLQIEISA-N -1 3 384.422 -0.997 20 0 GBADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC000737164868 598605458 /nfs/dbraw/zinc/60/54/58/598605458.db2.gz CMEOUKXOFZCJOO-SNVBAGLBSA-N -1 3 384.422 -0.997 20 0 GBADHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC000737164868 598605457 /nfs/dbraw/zinc/60/54/57/598605457.db2.gz CMEOUKXOFZCJOO-SNVBAGLBSA-N -1 3 384.422 -0.997 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737165073 599210351 /nfs/dbraw/zinc/21/03/51/599210351.db2.gz FARNIRPOSFFBDN-MRVPVSSYSA-N -1 3 390.422 -0.682 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737165075 599210175 /nfs/dbraw/zinc/21/01/75/599210175.db2.gz FARNIRPOSFFBDN-QMMMGPOBSA-N -1 3 390.422 -0.682 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737165092 599207875 /nfs/dbraw/zinc/20/78/75/599207875.db2.gz FJBGDXHQDYSHAK-SECBINFHSA-N -1 3 385.475 -0.120 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737165093 599208687 /nfs/dbraw/zinc/20/86/87/599208687.db2.gz FJBGDXHQDYSHAK-VIFPVBQESA-N -1 3 385.475 -0.120 20 0 GBADHM CS(=O)(=O)N(CC(=O)NC1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737165111 598553473 /nfs/dbraw/zinc/55/34/73/598553473.db2.gz FYWVJBMTZLDMRY-UHFFFAOYSA-N -1 3 380.430 -0.072 20 0 GBADHM CS(=O)(=O)Cc1noc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737165116 599348515 /nfs/dbraw/zinc/34/85/15/599348515.db2.gz GCAIOLIIFPUICI-UHFFFAOYSA-N -1 3 379.358 -0.188 20 0 GBADHM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737165118 598688233 /nfs/dbraw/zinc/68/82/33/598688233.db2.gz GDLQJCRUAGPGPM-UHFFFAOYSA-N -1 3 390.422 -0.728 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000737165153 599208088 /nfs/dbraw/zinc/20/80/88/599208088.db2.gz GXABMNGEIVSAOK-GXTWGEPZSA-N -1 3 391.457 -0.405 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000737165153 599208085 /nfs/dbraw/zinc/20/80/85/599208085.db2.gz GXABMNGEIVSAOK-GXTWGEPZSA-N -1 3 391.457 -0.405 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000737165154 599208193 /nfs/dbraw/zinc/20/81/93/599208193.db2.gz GXABMNGEIVSAOK-JSGCOSHPSA-N -1 3 391.457 -0.405 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000737165154 599208190 /nfs/dbraw/zinc/20/81/90/599208190.db2.gz GXABMNGEIVSAOK-JSGCOSHPSA-N -1 3 391.457 -0.405 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000737165155 599207956 /nfs/dbraw/zinc/20/79/56/599207956.db2.gz GXABMNGEIVSAOK-OCCSQVGLSA-N -1 3 391.457 -0.405 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000737165155 599207954 /nfs/dbraw/zinc/20/79/54/599207954.db2.gz GXABMNGEIVSAOK-OCCSQVGLSA-N -1 3 391.457 -0.405 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000737165156 599208030 /nfs/dbraw/zinc/20/80/30/599208030.db2.gz GXABMNGEIVSAOK-TZMCWYRMSA-N -1 3 391.457 -0.405 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000737165156 599208027 /nfs/dbraw/zinc/20/80/27/599208027.db2.gz GXABMNGEIVSAOK-TZMCWYRMSA-N -1 3 391.457 -0.405 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737165392 599219510 /nfs/dbraw/zinc/21/95/10/599219510.db2.gz IJSABGLGFAPDCN-SECBINFHSA-N -1 3 397.392 -0.906 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737165392 599219507 /nfs/dbraw/zinc/21/95/07/599219507.db2.gz IJSABGLGFAPDCN-SECBINFHSA-N -1 3 397.392 -0.906 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000737165393 599219424 /nfs/dbraw/zinc/21/94/24/599219424.db2.gz IJSABGLGFAPDCN-VIFPVBQESA-N -1 3 397.392 -0.906 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000737165393 599219422 /nfs/dbraw/zinc/21/94/22/599219422.db2.gz IJSABGLGFAPDCN-VIFPVBQESA-N -1 3 397.392 -0.906 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737165404 599209505 /nfs/dbraw/zinc/20/95/05/599209505.db2.gz IZNWMNZELGGTBD-CYBMUJFWSA-N -1 3 379.446 -0.894 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737165404 599209504 /nfs/dbraw/zinc/20/95/04/599209504.db2.gz IZNWMNZELGGTBD-CYBMUJFWSA-N -1 3 379.446 -0.894 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737165405 599209322 /nfs/dbraw/zinc/20/93/22/599209322.db2.gz IZNWMNZELGGTBD-ZDUSSCGKSA-N -1 3 379.446 -0.894 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737165405 599209320 /nfs/dbraw/zinc/20/93/20/599209320.db2.gz IZNWMNZELGGTBD-ZDUSSCGKSA-N -1 3 379.446 -0.894 20 0 GBADHM CS(=O)(=O)Cc1noc(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737165444 599365883 /nfs/dbraw/zinc/36/58/83/599365883.db2.gz JZZGSNPCJCMFKU-UHFFFAOYSA-N -1 3 378.374 -0.155 20 0 GBADHM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737165471 598868791 /nfs/dbraw/zinc/86/87/91/598868791.db2.gz KSUQNBPKJRCDMY-UHFFFAOYSA-N -1 3 390.422 -0.728 20 0 GBADHM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737165471 598868789 /nfs/dbraw/zinc/86/87/89/598868789.db2.gz KSUQNBPKJRCDMY-UHFFFAOYSA-N -1 3 390.422 -0.728 20 0 GBADHM CS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737165482 598328157 /nfs/dbraw/zinc/32/81/57/598328157.db2.gz LCWAUVDUBPIHIC-UHFFFAOYSA-N -1 3 383.409 -0.207 20 0 GBADHM CS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737165482 598328155 /nfs/dbraw/zinc/32/81/55/598328155.db2.gz LCWAUVDUBPIHIC-UHFFFAOYSA-N -1 3 383.409 -0.207 20 0 GBADHM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737165685 598639325 /nfs/dbraw/zinc/63/93/25/598639325.db2.gz LHUFECLVZBLIIE-UHFFFAOYSA-N -1 3 397.392 -0.952 20 0 GBADHM CS(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737165685 598639324 /nfs/dbraw/zinc/63/93/24/598639324.db2.gz LHUFECLVZBLIIE-UHFFFAOYSA-N -1 3 397.392 -0.952 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737165698 599223484 /nfs/dbraw/zinc/22/34/84/599223484.db2.gz LVEAWPUSJSARPQ-CYBMUJFWSA-N -1 3 380.430 -0.214 20 0 GBADHM CS(=O)(=O)N1CCC[C@H]1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737165699 599223329 /nfs/dbraw/zinc/22/33/29/599223329.db2.gz LVEAWPUSJSARPQ-ZDUSSCGKSA-N -1 3 380.430 -0.214 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737165756 599209469 /nfs/dbraw/zinc/20/94/69/599209469.db2.gz NKNSKZSTESAKKB-CYBMUJFWSA-N -1 3 379.446 -0.894 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737165756 599209468 /nfs/dbraw/zinc/20/94/68/599209468.db2.gz NKNSKZSTESAKKB-CYBMUJFWSA-N -1 3 379.446 -0.894 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737165757 599209358 /nfs/dbraw/zinc/20/93/58/599209358.db2.gz NKNSKZSTESAKKB-ZDUSSCGKSA-N -1 3 379.446 -0.894 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737165757 599209355 /nfs/dbraw/zinc/20/93/55/599209355.db2.gz NKNSKZSTESAKKB-ZDUSSCGKSA-N -1 3 379.446 -0.894 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737165772 599210242 /nfs/dbraw/zinc/21/02/42/599210242.db2.gz ODAJYTIVXGXJGT-GFCCVEGCSA-N -1 3 386.459 -0.680 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737165772 599210241 /nfs/dbraw/zinc/21/02/41/599210241.db2.gz ODAJYTIVXGXJGT-GFCCVEGCSA-N -1 3 386.459 -0.680 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737165773 599210387 /nfs/dbraw/zinc/21/03/87/599210387.db2.gz ODAJYTIVXGXJGT-LBPRGKRZSA-N -1 3 386.459 -0.680 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737165773 599210386 /nfs/dbraw/zinc/21/03/86/599210386.db2.gz ODAJYTIVXGXJGT-LBPRGKRZSA-N -1 3 386.459 -0.680 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737166237 598512973 /nfs/dbraw/zinc/51/29/73/598512973.db2.gz PAPSKJBJVNJYES-LLVKDONJSA-N -1 3 381.418 -0.359 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737166237 598512972 /nfs/dbraw/zinc/51/29/72/598512972.db2.gz PAPSKJBJVNJYES-LLVKDONJSA-N -1 3 381.418 -0.359 20 0 GBADHM CS(=O)(=O)N1CCC[C@H]1C(=O)OCCNc1ncccc1-c1nn[n-]n1 ZINC000737166241 598512911 /nfs/dbraw/zinc/51/29/11/598512911.db2.gz PAPSKJBJVNJYES-NSHDSACASA-N -1 3 381.418 -0.359 20 0 GBADHM CS(=O)(=O)N1CCC[C@H]1C(=O)OCCNc1ncccc1-c1nnn[n-]1 ZINC000737166241 598512909 /nfs/dbraw/zinc/51/29/09/598512909.db2.gz PAPSKJBJVNJYES-NSHDSACASA-N -1 3 381.418 -0.359 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737166433 599212647 /nfs/dbraw/zinc/21/26/47/599212647.db2.gz QXNIYCOLTNBUGG-LLVKDONJSA-N -1 3 395.449 -0.993 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737166433 599212644 /nfs/dbraw/zinc/21/26/44/599212644.db2.gz QXNIYCOLTNBUGG-LLVKDONJSA-N -1 3 395.449 -0.993 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000737166438 599212443 /nfs/dbraw/zinc/21/24/43/599212443.db2.gz QXNIYCOLTNBUGG-NSHDSACASA-N -1 3 395.449 -0.993 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000737166438 599212440 /nfs/dbraw/zinc/21/24/40/599212440.db2.gz QXNIYCOLTNBUGG-NSHDSACASA-N -1 3 395.449 -0.993 20 0 GBADHM CS(=O)(=O)Cc1noc(NC(=O)COc2ccccc2-c2nn[n-]n2)n1 ZINC000737167198 599348328 /nfs/dbraw/zinc/34/83/28/599348328.db2.gz TULKFTLVFLZGIS-UHFFFAOYSA-N -1 3 379.358 -0.188 20 0 GBADHM CS(=O)(=O)Cc1noc(NC(=O)COc2ccccc2-c2nnn[n-]2)n1 ZINC000737167198 599348325 /nfs/dbraw/zinc/34/83/25/599348325.db2.gz TULKFTLVFLZGIS-UHFFFAOYSA-N -1 3 379.358 -0.188 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737167253 598875966 /nfs/dbraw/zinc/87/59/66/598875966.db2.gz UXDXIKCYLYDRKM-SECBINFHSA-N -1 3 390.422 -0.682 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000737167253 598875965 /nfs/dbraw/zinc/87/59/65/598875965.db2.gz UXDXIKCYLYDRKM-SECBINFHSA-N -1 3 390.422 -0.682 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000737167255 598876128 /nfs/dbraw/zinc/87/61/28/598876128.db2.gz UXDXIKCYLYDRKM-VIFPVBQESA-N -1 3 390.422 -0.682 20 0 GBADHM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000737167255 598876126 /nfs/dbraw/zinc/87/61/26/598876126.db2.gz UXDXIKCYLYDRKM-VIFPVBQESA-N -1 3 390.422 -0.682 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737167292 599067798 /nfs/dbraw/zinc/06/77/98/599067798.db2.gz VKTAODZTUMQWCW-CHWSQXEVSA-N -1 3 379.446 -0.593 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737167292 599067795 /nfs/dbraw/zinc/06/77/95/599067795.db2.gz VKTAODZTUMQWCW-CHWSQXEVSA-N -1 3 379.446 -0.593 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737167293 599067856 /nfs/dbraw/zinc/06/78/56/599067856.db2.gz VKTAODZTUMQWCW-OLZOCXBDSA-N -1 3 379.446 -0.593 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737167293 599067853 /nfs/dbraw/zinc/06/78/53/599067853.db2.gz VKTAODZTUMQWCW-OLZOCXBDSA-N -1 3 379.446 -0.593 20 0 GBADHM CS(=O)(=O)N[C@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737167295 599068255 /nfs/dbraw/zinc/06/82/55/599068255.db2.gz VKTAODZTUMQWCW-QWHCGFSZSA-N -1 3 379.446 -0.593 20 0 GBADHM CS(=O)(=O)N[C@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737167295 599068252 /nfs/dbraw/zinc/06/82/52/599068252.db2.gz VKTAODZTUMQWCW-QWHCGFSZSA-N -1 3 379.446 -0.593 20 0 GBADHM CS(=O)(=O)N[C@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737167297 599068246 /nfs/dbraw/zinc/06/82/46/599068246.db2.gz VKTAODZTUMQWCW-STQMWFEESA-N -1 3 379.446 -0.593 20 0 GBADHM CS(=O)(=O)N[C@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737167297 599068242 /nfs/dbraw/zinc/06/82/42/599068242.db2.gz VKTAODZTUMQWCW-STQMWFEESA-N -1 3 379.446 -0.593 20 0 GBADHM CS(=O)(=O)N(CC(=O)NC1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000737167875 598553555 /nfs/dbraw/zinc/55/35/55/598553555.db2.gz WAIUPSOPAMNPBB-UHFFFAOYSA-N -1 3 380.430 -0.072 20 0 GBADHM CS(=O)(=O)N(CC(=O)NC1CCOCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000737167875 598553552 /nfs/dbraw/zinc/55/35/52/598553552.db2.gz WAIUPSOPAMNPBB-UHFFFAOYSA-N -1 3 380.430 -0.072 20 0 GBADHM CS(=O)(=O)N1CCN(CCNc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000737168129 598745835 /nfs/dbraw/zinc/74/58/35/598745835.db2.gz ZAPSFUSXKQKHRG-UHFFFAOYSA-N -1 3 386.869 -0.096 20 0 GBADHM CS(=O)(=O)N1CCN(CCNc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000737168129 598745833 /nfs/dbraw/zinc/74/58/33/598745833.db2.gz ZAPSFUSXKQKHRG-UHFFFAOYSA-N -1 3 386.869 -0.096 20 0 GBADHM CS(=O)(=O)NCCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737168239 598580830 /nfs/dbraw/zinc/58/08/30/598580830.db2.gz HXQINCICXPCOLM-AWEZNQCLSA-N -1 3 393.473 -0.109 20 0 GBADHM CS(=O)(=O)NCCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737168240 598581045 /nfs/dbraw/zinc/58/10/45/598581045.db2.gz HXQINCICXPCOLM-CQSZACIVSA-N -1 3 393.473 -0.109 20 0 GBADHM CS(=O)(=O)NCCNC(=S)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737168268 599175379 /nfs/dbraw/zinc/17/53/79/599175379.db2.gz IMGCSSYOXQDFBR-UHFFFAOYSA-N -1 3 385.475 -0.741 20 0 GBADHM CS(=O)(=O)NCCOC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737168699 598431804 /nfs/dbraw/zinc/43/18/04/598431804.db2.gz JXWUZHKECNDGNE-CYBMUJFWSA-N -1 3 380.430 -0.072 20 0 GBADHM CS(=O)(=O)NCCOC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737168702 598431707 /nfs/dbraw/zinc/43/17/07/598431707.db2.gz JXWUZHKECNDGNE-ZDUSSCGKSA-N -1 3 380.430 -0.072 20 0 GBADHM CS(=O)(=O)NCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737169211 598581024 /nfs/dbraw/zinc/58/10/24/598581024.db2.gz PXPAAYNHQKDACB-CYBMUJFWSA-N -1 3 379.446 -0.499 20 0 GBADHM CS(=O)(=O)NCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737169212 598580938 /nfs/dbraw/zinc/58/09/38/598580938.db2.gz PXPAAYNHQKDACB-ZDUSSCGKSA-N -1 3 379.446 -0.499 20 0 GBADHM CS(=O)(=O)NCCC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737169220 598456416 /nfs/dbraw/zinc/45/64/16/598456416.db2.gz PYKYQVQPHBKAGK-UHFFFAOYSA-N -1 3 394.461 -0.714 20 0 GBADHM CS(=O)(=O)NCCC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737169220 598456414 /nfs/dbraw/zinc/45/64/14/598456414.db2.gz PYKYQVQPHBKAGK-UHFFFAOYSA-N -1 3 394.461 -0.714 20 0 GBADHM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737169247 598688476 /nfs/dbraw/zinc/68/84/76/598688476.db2.gz QOQYTYFCSQPWMR-UHFFFAOYSA-N -1 3 378.411 -0.777 20 0 GBADHM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737169247 598688474 /nfs/dbraw/zinc/68/84/74/598688474.db2.gz QOQYTYFCSQPWMR-UHFFFAOYSA-N -1 3 378.411 -0.777 20 0 GBADHM CS(=O)(=O)NCCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000737169400 598282318 /nfs/dbraw/zinc/28/23/18/598282318.db2.gz WIKSLLZNDIPZNF-UHFFFAOYSA-N -1 3 394.461 -0.753 20 0 GBADHM CS(=O)(=O)NCCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000737169400 598282317 /nfs/dbraw/zinc/28/23/17/598282317.db2.gz WIKSLLZNDIPZNF-UHFFFAOYSA-N -1 3 394.461 -0.753 20 0 GBADHM CS(=O)(=O)NC[C@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737169483 599068490 /nfs/dbraw/zinc/06/84/90/599068490.db2.gz ZHBNIKVANVFOFX-BXUZGUMPSA-N -1 3 393.473 -0.346 20 0 GBADHM CS(=O)(=O)NC[C@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737169483 599068488 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Cc1cc2[nH]c(=O)c(C(=O)O[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)cn2n1 ZINC000737284789 599125009 /nfs/dbraw/zinc/12/50/09/599125009.db2.gz MSSRAXMYGLCXGA-ZDUSSCGKSA-N -1 3 394.351 -0.105 20 0 GBADHM Cc1cc2[nH]c(=O)c(C(=O)O[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)cn2n1 ZINC000737284789 599125008 /nfs/dbraw/zinc/12/50/08/599125008.db2.gz MSSRAXMYGLCXGA-ZDUSSCGKSA-N -1 3 394.351 -0.105 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCN1C(=O)CCC1=O ZINC000737287200 599515177 /nfs/dbraw/zinc/51/51/77/599515177.db2.gz CVIBKTVQOAXLRW-UHFFFAOYSA-N -1 3 385.384 -0.231 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCN1C(=O)CCC1=O ZINC000737287200 599515176 /nfs/dbraw/zinc/51/51/76/599515176.db2.gz CVIBKTVQOAXLRW-UHFFFAOYSA-N -1 3 385.384 -0.231 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000737288692 598908432 /nfs/dbraw/zinc/90/84/32/598908432.db2.gz MNSYGDPFRAUQKU-JTQLQIEISA-N -1 3 378.414 -0.241 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000737288692 598908430 /nfs/dbraw/zinc/90/84/30/598908430.db2.gz MNSYGDPFRAUQKU-JTQLQIEISA-N -1 3 378.414 -0.241 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000737288697 598908382 /nfs/dbraw/zinc/90/83/82/598908382.db2.gz MNSYGDPFRAUQKU-SNVBAGLBSA-N -1 3 378.414 -0.241 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000737288697 598908380 /nfs/dbraw/zinc/90/83/80/598908380.db2.gz MNSYGDPFRAUQKU-SNVBAGLBSA-N -1 3 378.414 -0.241 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000737289311 599284082 /nfs/dbraw/zinc/28/40/82/599284082.db2.gz QKIQTCNNQPOKOI-CYBMUJFWSA-N -1 3 397.399 -0.367 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@@H](Cn2cncn2)C1 ZINC000737289311 599284079 /nfs/dbraw/zinc/28/40/79/599284079.db2.gz QKIQTCNNQPOKOI-CYBMUJFWSA-N -1 3 397.399 -0.367 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000737289316 599284088 /nfs/dbraw/zinc/28/40/88/599284088.db2.gz QKIQTCNNQPOKOI-ZDUSSCGKSA-N -1 3 397.399 -0.367 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@H](Cn2cncn2)C1 ZINC000737289316 599284086 /nfs/dbraw/zinc/28/40/86/599284086.db2.gz QKIQTCNNQPOKOI-ZDUSSCGKSA-N -1 3 397.399 -0.367 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O ZINC000737290399 598516581 /nfs/dbraw/zinc/51/65/81/598516581.db2.gz VERBHUZWAHAXLO-UHFFFAOYSA-N -1 3 386.372 -0.828 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCCN1C(=O)CNC1=O ZINC000737290399 598516579 /nfs/dbraw/zinc/51/65/79/598516579.db2.gz VERBHUZWAHAXLO-UHFFFAOYSA-N -1 3 386.372 -0.828 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000737290545 598601678 /nfs/dbraw/zinc/60/16/78/598601678.db2.gz WQSBOXXHYIIEKG-UHFFFAOYSA-N -1 3 395.445 -0.442 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O ZINC000737290545 598601677 /nfs/dbraw/zinc/60/16/77/598601677.db2.gz WQSBOXXHYIIEKG-UHFFFAOYSA-N -1 3 395.445 -0.442 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000737290994 599219139 /nfs/dbraw/zinc/21/91/39/599219139.db2.gz ZOKVWJFLGPRDCS-LLVKDONJSA-N -1 3 393.429 -0.736 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000737290994 599219137 /nfs/dbraw/zinc/21/91/37/599219137.db2.gz ZOKVWJFLGPRDCS-LLVKDONJSA-N -1 3 393.429 -0.736 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000737290997 599219409 /nfs/dbraw/zinc/21/94/09/599219409.db2.gz ZOKVWJFLGPRDCS-NSHDSACASA-N -1 3 393.429 -0.736 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000737290997 599219407 /nfs/dbraw/zinc/21/94/07/599219407.db2.gz ZOKVWJFLGPRDCS-NSHDSACASA-N -1 3 393.429 -0.736 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000737296242 598954639 /nfs/dbraw/zinc/95/46/39/598954639.db2.gz GTFPOUBFFDKZPQ-HNNXBMFYSA-N -1 3 391.413 -0.510 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000737296242 598954637 /nfs/dbraw/zinc/95/46/37/598954637.db2.gz GTFPOUBFFDKZPQ-HNNXBMFYSA-N -1 3 391.413 -0.510 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000737296243 598954915 /nfs/dbraw/zinc/95/49/15/598954915.db2.gz GTFPOUBFFDKZPQ-OAHLLOKOSA-N -1 3 391.413 -0.510 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000737296243 598954913 /nfs/dbraw/zinc/95/49/13/598954913.db2.gz GTFPOUBFFDKZPQ-OAHLLOKOSA-N -1 3 391.413 -0.510 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@]2(C1)NC(=O)NC2=O ZINC000737296584 599481267 /nfs/dbraw/zinc/48/12/67/599481267.db2.gz LQFJOIOSJIJTOE-AWEZNQCLSA-N -1 3 377.386 -0.852 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@]2(C1)NC(=O)NC2=O ZINC000737296585 599481595 /nfs/dbraw/zinc/48/15/95/599481595.db2.gz LQFJOIOSJIJTOE-CQSZACIVSA-N -1 3 377.386 -0.852 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC2(CC1)NC(=O)NC2=O ZINC000737296729 598950259 /nfs/dbraw/zinc/95/02/59/598950259.db2.gz NFNLAGFXXZRQCZ-UHFFFAOYSA-N -1 3 391.413 -0.462 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCN1CCCS1(=O)=O ZINC000737297681 598954877 /nfs/dbraw/zinc/95/48/77/598954877.db2.gz JUNBFRPZWJTQJX-UHFFFAOYSA-N -1 3 386.459 -0.511 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCN1CCCS1(=O)=O ZINC000737297681 598954875 /nfs/dbraw/zinc/95/48/75/598954875.db2.gz JUNBFRPZWJTQJX-UHFFFAOYSA-N -1 3 386.459 -0.511 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)CC(=O)N1CCOCC1 ZINC000737297723 598948836 /nfs/dbraw/zinc/94/88/36/598948836.db2.gz YXVWYCAWJMRARW-UHFFFAOYSA-N -1 3 380.430 -0.346 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)CC(=O)N1CCOCC1 ZINC000737297723 598948833 /nfs/dbraw/zinc/94/88/33/598948833.db2.gz YXVWYCAWJMRARW-UHFFFAOYSA-N -1 3 380.430 -0.346 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCC(=O)N1CCOCC1 ZINC000737297734 598950281 /nfs/dbraw/zinc/95/02/81/598950281.db2.gz KKOOQLFIJANGNA-UHFFFAOYSA-N -1 3 380.430 -0.298 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCC(=O)N1CCOCC1 ZINC000737297734 598950280 /nfs/dbraw/zinc/95/02/80/598950280.db2.gz KKOOQLFIJANGNA-UHFFFAOYSA-N -1 3 380.430 -0.298 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCN1C(=O)CCC1=O ZINC000737297740 598956660 /nfs/dbraw/zinc/95/66/60/598956660.db2.gz KQYKHZBNAJBSMS-UHFFFAOYSA-N -1 3 378.414 -0.007 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCCN1C(=O)CCC1=O ZINC000737297740 598956659 /nfs/dbraw/zinc/95/66/59/598956659.db2.gz KQYKHZBNAJBSMS-UHFFFAOYSA-N -1 3 378.414 -0.007 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC1CCN(CC(N)=O)CC1 ZINC000737297746 598950150 /nfs/dbraw/zinc/95/01/50/598950150.db2.gz KTPRMCVBTLDVIQ-UHFFFAOYSA-N -1 3 379.446 -0.597 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC1CCN(CC(N)=O)CC1 ZINC000737297746 598950148 /nfs/dbraw/zinc/95/01/48/598950148.db2.gz KTPRMCVBTLDVIQ-UHFFFAOYSA-N -1 3 379.446 -0.597 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000737297776 599211164 /nfs/dbraw/zinc/21/11/64/599211164.db2.gz ZWTMSELCQHLPCF-LLVKDONJSA-N -1 3 386.459 -0.513 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@@H](NS(C)(=O)=O)C1 ZINC000737297776 599211163 /nfs/dbraw/zinc/21/11/63/599211163.db2.gz ZWTMSELCQHLPCF-LLVKDONJSA-N -1 3 386.459 -0.513 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000737297777 599211298 /nfs/dbraw/zinc/21/12/98/599211298.db2.gz ZWTMSELCQHLPCF-NSHDSACASA-N -1 3 386.459 -0.513 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC[C@H](NS(C)(=O)=O)C1 ZINC000737297777 599211297 /nfs/dbraw/zinc/21/12/97/599211297.db2.gz ZWTMSELCQHLPCF-NSHDSACASA-N -1 3 386.459 -0.513 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCC(C)(C)NS(C)(=O)=O ZINC000737298016 637608530 /nfs/dbraw/zinc/60/85/30/637608530.db2.gz LLJHXOPIWITFFH-UHFFFAOYSA-N -1 3 388.475 -0.219 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCC(C)(C)NS(C)(=O)=O ZINC000737298016 637608528 /nfs/dbraw/zinc/60/85/28/637608528.db2.gz LLJHXOPIWITFFH-UHFFFAOYSA-N -1 3 388.475 -0.219 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCS(=O)(=O)NC(C)C 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/nfs/dbraw/zinc/43/04/94/598430494.db2.gz JMJLCMFESXFMOA-LLVKDONJSA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1nc2n(n1)C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)CC2 ZINC000737489540 598430177 /nfs/dbraw/zinc/43/01/77/598430177.db2.gz JMJLCMFESXFMOA-NSHDSACASA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1nc2n(n1)C[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)CC2 ZINC000737489540 598430175 /nfs/dbraw/zinc/43/01/75/598430175.db2.gz JMJLCMFESXFMOA-NSHDSACASA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737489918 598424738 /nfs/dbraw/zinc/42/47/38/598424738.db2.gz NKNKIIPLZRPEEY-CYBMUJFWSA-N -1 3 381.400 -0.372 20 0 GBADHM Cc1nc2n(n1)C[C@H](NC(=O)CNC(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737489918 598424736 /nfs/dbraw/zinc/42/47/36/598424736.db2.gz NKNKIIPLZRPEEY-CYBMUJFWSA-N -1 3 381.400 -0.372 20 0 GBADHM Cc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737489922 598425258 /nfs/dbraw/zinc/42/52/58/598425258.db2.gz NKNKIIPLZRPEEY-ZDUSSCGKSA-N -1 3 381.400 -0.372 20 0 GBADHM Cc1nc2n(n1)C[C@@H](NC(=O)CNC(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737489922 598425257 /nfs/dbraw/zinc/42/52/57/598425257.db2.gz NKNKIIPLZRPEEY-ZDUSSCGKSA-N -1 3 381.400 -0.372 20 0 GBADHM Cc1nc2n(n1)C[C@H](NC(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000737490220 598428938 /nfs/dbraw/zinc/42/89/38/598428938.db2.gz RSGKUURWLOCLFZ-GFCCVEGCSA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1nc2n(n1)C[C@H](NC(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000737490220 598428937 /nfs/dbraw/zinc/42/89/37/598428937.db2.gz RSGKUURWLOCLFZ-GFCCVEGCSA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1nc2n(n1)C[C@@H](NC(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000737490223 598429258 /nfs/dbraw/zinc/42/92/58/598429258.db2.gz RSGKUURWLOCLFZ-LBPRGKRZSA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1nc2n(n1)C[C@@H](NC(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000737490223 598429256 /nfs/dbraw/zinc/42/92/56/598429256.db2.gz RSGKUURWLOCLFZ-LBPRGKRZSA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000737490922 598640160 /nfs/dbraw/zinc/64/01/60/598640160.db2.gz ZIFFWBLZVPQZHW-JTQLQIEISA-N -1 3 385.363 -0.025 20 0 GBADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000737490922 598640158 /nfs/dbraw/zinc/64/01/58/598640158.db2.gz ZIFFWBLZVPQZHW-JTQLQIEISA-N -1 3 385.363 -0.025 20 0 GBADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000737490925 598640018 /nfs/dbraw/zinc/64/00/18/598640018.db2.gz ZIFFWBLZVPQZHW-SNVBAGLBSA-N -1 3 385.363 -0.025 20 0 GBADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000737490925 598640016 /nfs/dbraw/zinc/64/00/16/598640016.db2.gz ZIFFWBLZVPQZHW-SNVBAGLBSA-N -1 3 385.363 -0.025 20 0 GBADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC000737491355 599510186 /nfs/dbraw/zinc/51/01/86/599510186.db2.gz JEMJDBIMOAJMQU-UHFFFAOYSA-N -1 3 394.399 -0.353 20 0 GBADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC000737491355 599510184 /nfs/dbraw/zinc/51/01/84/599510184.db2.gz JEMJDBIMOAJMQU-UHFFFAOYSA-N -1 3 394.399 -0.353 20 0 GBADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737492369 599510160 /nfs/dbraw/zinc/51/01/60/599510160.db2.gz RCMXTWUHPXVGFH-UHFFFAOYSA-N -1 3 394.399 -0.353 20 0 GBADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737492369 599510158 /nfs/dbraw/zinc/51/01/58/599510158.db2.gz RCMXTWUHPXVGFH-UHFFFAOYSA-N -1 3 394.399 -0.353 20 0 GBADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000737492566 599510055 /nfs/dbraw/zinc/51/00/55/599510055.db2.gz UXWQKGDNJBMXGL-UHFFFAOYSA-N -1 3 394.399 -0.353 20 0 GBADHM Cc1ncc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000737492566 599510053 /nfs/dbraw/zinc/51/00/53/599510053.db2.gz UXWQKGDNJBMXGL-UHFFFAOYSA-N -1 3 394.399 -0.353 20 0 GBADHM Cc1nn(-c2ccccc2)c(COC(=O)CN2CC(=O)NC2=O)c1-c1nnn[n-]1 ZINC000737504435 598723436 /nfs/dbraw/zinc/72/34/36/598723436.db2.gz YQWZNZWEMFADOB-UHFFFAOYSA-N -1 3 396.367 -0.044 20 0 GBADHM Cc1nn(C)c(=O)c(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1C ZINC000737509232 598578966 /nfs/dbraw/zinc/57/89/66/598578966.db2.gz MVWPZTIMPYWKTH-UHFFFAOYSA-N -1 3 395.427 -0.065 20 0 GBADHM Cc1nn(C)c(=O)c(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1C ZINC000737509232 598578965 /nfs/dbraw/zinc/57/89/65/598578965.db2.gz MVWPZTIMPYWKTH-UHFFFAOYSA-N -1 3 395.427 -0.065 20 0 GBADHM Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccnc3)CC2)c1-c1nn[n-]n1 ZINC000737512685 598633863 /nfs/dbraw/zinc/63/38/63/598633863.db2.gz ZHCVCSPIRICHIA-UHFFFAOYSA-N -1 3 389.445 -0.185 20 0 GBADHM Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccnc3)CC2)c1-c1nnn[n-]1 ZINC000737512685 598633861 /nfs/dbraw/zinc/63/38/61/598633861.db2.gz ZHCVCSPIRICHIA-UHFFFAOYSA-N -1 3 389.445 -0.185 20 0 GBADHM Cc1nnc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1C ZINC000737519658 599076223 /nfs/dbraw/zinc/07/62/23/599076223.db2.gz BWBORXXLJASILS-INIZCTEOSA-N -1 3 396.459 -0.352 20 0 GBADHM Cc1nnc(CN2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1C ZINC000737519658 599076221 /nfs/dbraw/zinc/07/62/21/599076221.db2.gz BWBORXXLJASILS-INIZCTEOSA-N -1 3 396.459 -0.352 20 0 GBADHM Cc1nnc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)n1C ZINC000737519659 599075874 /nfs/dbraw/zinc/07/58/74/599075874.db2.gz BWBORXXLJASILS-MRXNPFEDSA-N -1 3 396.459 -0.352 20 0 GBADHM Cc1nnc(CN2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)n1C ZINC000737519659 599075873 /nfs/dbraw/zinc/07/58/73/599075873.db2.gz BWBORXXLJASILS-MRXNPFEDSA-N -1 3 396.459 -0.352 20 0 GBADHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1Cc1cc(=O)n(C)c(=O)n1C ZINC000737526128 598827112 /nfs/dbraw/zinc/82/71/12/598827112.db2.gz WUBRLHBKGCUQGW-UHFFFAOYSA-N -1 3 379.384 -0.121 20 0 GBADHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1Cc1cc(=O)n(C)c(=O)n1C ZINC000737526128 598827110 /nfs/dbraw/zinc/82/71/10/598827110.db2.gz WUBRLHBKGCUQGW-UHFFFAOYSA-N -1 3 379.384 -0.121 20 0 GBADHM CN1CCN(C[C@H]2CN(CCCN3C(=O)CS/C3=C\C(=O)[O-])CCO2)CC1 ZINC000737526531 599970672 /nfs/dbraw/zinc/97/06/72/599970672.db2.gz SDELRULNPXHGPT-QJISPJEISA-N -1 3 398.529 -0.174 20 0 GBADHM CN1CCN(C[C@@H]2CN(CCCN3C(=O)CS/C3=C\C(=O)[O-])CCO2)CC1 ZINC000737526533 599971084 /nfs/dbraw/zinc/97/10/84/599971084.db2.gz SDELRULNPXHGPT-ZCQLHAAUSA-N -1 3 398.529 -0.174 20 0 GBADHM Cc1nncn1CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000737532569 598925854 /nfs/dbraw/zinc/92/58/54/598925854.db2.gz CFEAIDDSNACGQT-UHFFFAOYSA-N -1 3 379.388 -0.035 20 0 GBADHM Cc1nncn1CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000737532569 598925852 /nfs/dbraw/zinc/92/58/52/598925852.db2.gz CFEAIDDSNACGQT-UHFFFAOYSA-N -1 3 379.388 -0.035 20 0 GBADHM Cc1nnc2n1CCN([C@@H]1CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C1=O)C2 ZINC000737533783 598713037 /nfs/dbraw/zinc/71/30/37/598713037.db2.gz JRDAGLSCIZOSEI-CYBMUJFWSA-N -1 3 379.384 -0.086 20 0 GBADHM Cc1nnc2n1CCN([C@@H]1CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C1=O)C2 ZINC000737533783 598713036 /nfs/dbraw/zinc/71/30/36/598713036.db2.gz JRDAGLSCIZOSEI-CYBMUJFWSA-N -1 3 379.384 -0.086 20 0 GBADHM Cc1nnc2n1CCN([C@H]1CC(=O)N(c3ccc(-c4nn[n-]n4)cc3)C1=O)C2 ZINC000737533784 598713102 /nfs/dbraw/zinc/71/31/02/598713102.db2.gz JRDAGLSCIZOSEI-ZDUSSCGKSA-N -1 3 379.384 -0.086 20 0 GBADHM Cc1nnc2n1CCN([C@H]1CC(=O)N(c3ccc(-c4nnn[n-]4)cc3)C1=O)C2 ZINC000737533784 598713101 /nfs/dbraw/zinc/71/31/01/598713101.db2.gz JRDAGLSCIZOSEI-ZDUSSCGKSA-N -1 3 379.384 -0.086 20 0 GBADHM Cc1nnc2n1C[C@H](NC(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737534041 598406732 /nfs/dbraw/zinc/40/67/32/598406732.db2.gz RHLHEUQKBJCOKW-CYBMUJFWSA-N -1 3 381.400 -0.372 20 0 GBADHM Cc1nnc2n1C[C@H](NC(=O)CNC(=O)c1ccc(-c3nnn[n-]3)cc1)CC2 ZINC000737534041 598406730 /nfs/dbraw/zinc/40/67/30/598406730.db2.gz RHLHEUQKBJCOKW-CYBMUJFWSA-N -1 3 381.400 -0.372 20 0 GBADHM Cc1nnc2n1C[C@@H](NC(=O)CNC(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000737534042 598406530 /nfs/dbraw/zinc/40/65/30/598406530.db2.gz RHLHEUQKBJCOKW-ZDUSSCGKSA-N -1 3 381.400 -0.372 20 0 GBADHM 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BCYUBKQBFZTATJ-WAYWQWQTSA-N -1 3 398.383 -0.672 20 0 GBADHM Cn1cc(C=CC(=O)OCCNc2ncccc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000737601659 598737033 /nfs/dbraw/zinc/73/70/33/598737033.db2.gz BCYUBKQBFZTATJ-WAYWQWQTSA-N -1 3 398.383 -0.672 20 0 GBADHM Cn1cc(C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)c(=O)n(C)c1=O ZINC000737601771 599195265 /nfs/dbraw/zinc/19/52/65/599195265.db2.gz FBVQVXQUMYACLA-UHFFFAOYSA-N -1 3 396.411 -0.774 20 0 GBADHM Cn1cc(C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)c(=O)n(C)c1=O ZINC000737601771 599195262 /nfs/dbraw/zinc/19/52/62/599195262.db2.gz FBVQVXQUMYACLA-UHFFFAOYSA-N -1 3 396.411 -0.774 20 0 GBADHM Cn1cc(CN2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000737602524 598374063 /nfs/dbraw/zinc/37/40/63/598374063.db2.gz QFQVXMMPUBKPSP-UHFFFAOYSA-N -1 3 395.427 -0.117 20 0 GBADHM Cn1cc(CN2CCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000737602524 598374060 /nfs/dbraw/zinc/37/40/60/598374060.db2.gz QFQVXMMPUBKPSP-UHFFFAOYSA-N -1 3 395.427 -0.117 20 0 GBADHM Cn1cc(C(=O)OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(=O)n(C)c1=O ZINC000737603158 599217073 /nfs/dbraw/zinc/21/70/73/599217073.db2.gz BPCGCAFUTKORAS-UHFFFAOYSA-N -1 3 385.340 -0.940 20 0 GBADHM Cn1cc(C(=O)OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(=O)n(C)c1=O ZINC000737603158 599217071 /nfs/dbraw/zinc/21/70/71/599217071.db2.gz BPCGCAFUTKORAS-UHFFFAOYSA-N -1 3 385.340 -0.940 20 0 GBADHM Cn1cc(C=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(=O)n(C)c1=O ZINC000737603513 598308926 /nfs/dbraw/zinc/30/89/26/598308926.db2.gz LMTOVCSSFCYYIG-AATRIKPKSA-N -1 3 385.359 -0.267 20 0 GBADHM Cn1cc(C=CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(=O)n(C)c1=O ZINC000737603513 598308924 /nfs/dbraw/zinc/30/89/24/598308924.db2.gz LMTOVCSSFCYYIG-AATRIKPKSA-N -1 3 385.359 -0.267 20 0 GBADHM Cn1cc(C=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c(=O)n(C)c1=O ZINC000737603520 598309211 /nfs/dbraw/zinc/30/92/11/598309211.db2.gz LMTOVCSSFCYYIG-WAYWQWQTSA-N -1 3 385.359 -0.267 20 0 GBADHM Cn1cc(C=CC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c(=O)n(C)c1=O ZINC000737603520 598309209 /nfs/dbraw/zinc/30/92/09/598309209.db2.gz LMTOVCSSFCYYIG-WAYWQWQTSA-N -1 3 385.359 -0.267 20 0 GBADHM Cn1cc(C(=O)OCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(=O)n(C)c1=O ZINC000737603854 599216381 /nfs/dbraw/zinc/21/63/81/599216381.db2.gz FLXPZYXMHPEPFY-UHFFFAOYSA-N -1 3 385.340 -0.940 20 0 GBADHM Cn1cc(C(=O)OCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(=O)n(C)c1=O ZINC000737603854 599216379 /nfs/dbraw/zinc/21/63/79/599216379.db2.gz FLXPZYXMHPEPFY-UHFFFAOYSA-N -1 3 385.340 -0.940 20 0 GBADHM Cn1cc(C(=O)C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737604006 598448789 /nfs/dbraw/zinc/44/87/89/598448789.db2.gz VGQXCLIZJGMXNI-UHFFFAOYSA-N -1 3 381.400 -0.037 20 0 GBADHM Cn1cc(C(=O)C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737604006 598448787 /nfs/dbraw/zinc/44/87/87/598448787.db2.gz VGQXCLIZJGMXNI-UHFFFAOYSA-N -1 3 381.400 -0.037 20 0 GBADHM Cn1cc(C(=O)Nc2ccnn2-c2ccc(-c3nn[n-]n3)cc2)c(=O)n(C)c1=O ZINC000737604608 599195490 /nfs/dbraw/zinc/19/54/90/599195490.db2.gz HQNJLWYLRHEAET-UHFFFAOYSA-N -1 3 393.367 -0.298 20 0 GBADHM Cn1cc(C(=O)OCCCOc2ccc(-c3nn[n-]n3)cc2)c(=O)n(C)c1=O ZINC000737604735 599216516 /nfs/dbraw/zinc/21/65/16/599216516.db2.gz KJAAMEQPPHMMCY-UHFFFAOYSA-N -1 3 386.368 -0.110 20 0 GBADHM Cn1cc(C=CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c(=O)n(C)c1=O ZINC000737605016 599245498 /nfs/dbraw/zinc/24/54/98/599245498.db2.gz RNTODPPDHVSGDH-VMPITWQZSA-N -1 3 397.395 -0.528 20 0 GBADHM Cn1cc(C=CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c(=O)n(C)c1=O ZINC000737605020 599245005 /nfs/dbraw/zinc/24/50/05/599245005.db2.gz RNTODPPDHVSGDH-YVMONPNESA-N -1 3 397.395 -0.528 20 0 GBADHM Cn1cc(/C=C2\N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)c(=O)n(C)c1=O ZINC000737605558 598378715 /nfs/dbraw/zinc/37/87/15/598378715.db2.gz VNRSXIGSTWNILP-GHXNOFRVSA-N -1 3 379.336 -0.391 20 0 GBADHM Cn1cc(/C=C2/N=C(c3ccc(-c4nn[n-]n4)cc3)OC2=O)c(=O)n(C)c1=O ZINC000737605564 598378821 /nfs/dbraw/zinc/37/88/21/598378821.db2.gz VNRSXIGSTWNILP-KPKJPENVSA-N -1 3 379.336 -0.391 20 0 GBADHM Cn1cc(C(=O)OCc2cn3ccccc3c2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000737606455 599217887 /nfs/dbraw/zinc/21/78/87/599217887.db2.gz RYWXTAUUYPTPKQ-UHFFFAOYSA-N -1 3 381.352 -0.126 20 0 GBADHM Cn1cc(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000737606455 599217886 /nfs/dbraw/zinc/21/78/86/599217886.db2.gz RYWXTAUUYPTPKQ-UHFFFAOYSA-N -1 3 381.352 -0.126 20 0 GBADHM Cn1cc(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000737607018 599217299 /nfs/dbraw/zinc/21/72/99/599217299.db2.gz WJVKYQAEXGSXBX-UHFFFAOYSA-N -1 3 391.369 -0.879 20 0 GBADHM Cn1cc(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000737607018 599217296 /nfs/dbraw/zinc/21/72/96/599217296.db2.gz WJVKYQAEXGSXBX-UHFFFAOYSA-N -1 3 391.369 -0.879 20 0 GBADHM Cn1cc(N2CC[C@H](N3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)C2=O)cn1 ZINC000737609054 598700373 /nfs/dbraw/zinc/70/03/73/598700373.db2.gz ABUXBWSQPXYSHC-HNNXBMFYSA-N -1 3 394.443 -0.077 20 0 GBADHM Cn1cc(N2CC[C@H](N3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)C2=O)cn1 ZINC000737609054 598700371 /nfs/dbraw/zinc/70/03/71/598700371.db2.gz ABUXBWSQPXYSHC-HNNXBMFYSA-N -1 3 394.443 -0.077 20 0 GBADHM Cn1cc(N2CC[C@@H](N3CCN(c4ccc(-c5nn[n-]n5)cn4)CC3)C2=O)cn1 ZINC000737609055 598700726 /nfs/dbraw/zinc/70/07/26/598700726.db2.gz ABUXBWSQPXYSHC-OAHLLOKOSA-N -1 3 394.443 -0.077 20 0 GBADHM Cn1cc(N2CC[C@@H](N3CCN(c4ccc(-c5nnn[n-]5)cn4)CC3)C2=O)cn1 ZINC000737609055 598700723 /nfs/dbraw/zinc/70/07/23/598700723.db2.gz ABUXBWSQPXYSHC-OAHLLOKOSA-N -1 3 394.443 -0.077 20 0 GBADHM Cn1cc(N2CC[C@H](NC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737609061 599260800 /nfs/dbraw/zinc/26/08/00/599260800.db2.gz AGFSBGDGFVUZAX-AWEZNQCLSA-N -1 3 382.384 -0.099 20 0 GBADHM Cn1cc(N2CC[C@H](NC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737609061 599260799 /nfs/dbraw/zinc/26/07/99/599260799.db2.gz AGFSBGDGFVUZAX-AWEZNQCLSA-N -1 3 382.384 -0.099 20 0 GBADHM Cn1cc(N2CC[C@@H](NC(=O)COc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737609062 599260259 /nfs/dbraw/zinc/26/02/59/599260259.db2.gz AGFSBGDGFVUZAX-CQSZACIVSA-N -1 3 382.384 -0.099 20 0 GBADHM Cn1cc(N2CC[C@@H](NC(=O)COc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737609062 599260255 /nfs/dbraw/zinc/26/02/55/599260255.db2.gz AGFSBGDGFVUZAX-CQSZACIVSA-N -1 3 382.384 -0.099 20 0 GBADHM Cn1cc(N2CC[C@H](NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737609083 599265972 /nfs/dbraw/zinc/26/59/72/599265972.db2.gz BFYWVXCGJHEVNN-AWEZNQCLSA-N -1 3 381.400 -0.066 20 0 GBADHM Cn1cc(N2CC[C@@H](NC(=O)CNc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737609084 599266215 /nfs/dbraw/zinc/26/62/15/599266215.db2.gz BFYWVXCGJHEVNN-CQSZACIVSA-N -1 3 381.400 -0.066 20 0 GBADHM Cn1cc(S(=O)(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000737609372 598464740 /nfs/dbraw/zinc/46/47/40/598464740.db2.gz FRKKICWURKOVPZ-UHFFFAOYSA-N -1 3 389.445 -0.058 20 0 GBADHM Cn1cc(S(=O)(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000737609372 598464738 /nfs/dbraw/zinc/46/47/38/598464738.db2.gz FRKKICWURKOVPZ-UHFFFAOYSA-N -1 3 389.445 -0.058 20 0 GBADHM Cn1cc(N2CC[C@H](N3CCN(c4cc(-c5nn[n-]n5)ccn4)CC3)C2=O)cn1 ZINC000737609412 598700742 /nfs/dbraw/zinc/70/07/42/598700742.db2.gz GUSQCSYYBVDEKF-HNNXBMFYSA-N -1 3 394.443 -0.077 20 0 GBADHM Cn1cc(N2CC[C@H](N3CCN(c4cc(-c5nnn[n-]5)ccn4)CC3)C2=O)cn1 ZINC000737609412 598700739 /nfs/dbraw/zinc/70/07/39/598700739.db2.gz GUSQCSYYBVDEKF-HNNXBMFYSA-N -1 3 394.443 -0.077 20 0 GBADHM Cn1cc(N2CC[C@@H](N3CCN(c4cc(-c5nn[n-]n5)ccn4)CC3)C2=O)cn1 ZINC000737609413 598700541 /nfs/dbraw/zinc/70/05/41/598700541.db2.gz GUSQCSYYBVDEKF-OAHLLOKOSA-N -1 3 394.443 -0.077 20 0 GBADHM Cn1cc(N2CC[C@@H](N3CCN(c4cc(-c5nnn[n-]5)ccn4)CC3)C2=O)cn1 ZINC000737609413 598700538 /nfs/dbraw/zinc/70/05/38/598700538.db2.gz GUSQCSYYBVDEKF-OAHLLOKOSA-N -1 3 394.443 -0.077 20 0 GBADHM Cn1cc(N2CC[C@@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737609772 599275051 /nfs/dbraw/zinc/27/50/51/599275051.db2.gz IYTXCZYDYVAZHU-CYBMUJFWSA-N -1 3 388.413 -0.316 20 0 GBADHM Cn1cc(N2CC[C@@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737609772 599275049 /nfs/dbraw/zinc/27/50/49/599275049.db2.gz IYTXCZYDYVAZHU-CYBMUJFWSA-N -1 3 388.413 -0.316 20 0 GBADHM Cn1cc(N2CC[C@H](NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737609773 599275115 /nfs/dbraw/zinc/27/51/15/599275115.db2.gz IYTXCZYDYVAZHU-ZDUSSCGKSA-N -1 3 388.413 -0.316 20 0 GBADHM Cn1cc(N2CC[C@H](NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737609773 599275111 /nfs/dbraw/zinc/27/51/11/599275111.db2.gz IYTXCZYDYVAZHU-ZDUSSCGKSA-N -1 3 388.413 -0.316 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000737609811 598309127 /nfs/dbraw/zinc/30/91/27/598309127.db2.gz JYHFMBWJXNUOLI-UHFFFAOYSA-N -1 3 394.392 -0.666 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000737609811 598309125 /nfs/dbraw/zinc/30/91/25/598309125.db2.gz JYHFMBWJXNUOLI-UHFFFAOYSA-N -1 3 394.392 -0.666 20 0 GBADHM Cn1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cc1C(N)=O ZINC000737609837 598312409 /nfs/dbraw/zinc/31/24/09/598312409.db2.gz KNOZMMIGODNNIO-UHFFFAOYSA-N -1 3 379.377 -0.078 20 0 GBADHM Cn1cc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cc1C(N)=O ZINC000737609837 598312407 /nfs/dbraw/zinc/31/24/07/598312407.db2.gz KNOZMMIGODNNIO-UHFFFAOYSA-N -1 3 379.377 -0.078 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000737609899 598707987 /nfs/dbraw/zinc/70/79/87/598707987.db2.gz LFHHHAHQYVLKCA-UHFFFAOYSA-N -1 3 395.376 -0.239 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000737609899 598707985 /nfs/dbraw/zinc/70/79/85/598707985.db2.gz LFHHHAHQYVLKCA-UHFFFAOYSA-N -1 3 395.376 -0.239 20 0 GBADHM Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737609908 598322887 /nfs/dbraw/zinc/32/28/87/598322887.db2.gz LMLGLPBAROEQMV-UHFFFAOYSA-N -1 3 379.377 -0.078 20 0 GBADHM Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737609908 598322886 /nfs/dbraw/zinc/32/28/86/598322886.db2.gz LMLGLPBAROEQMV-UHFFFAOYSA-N -1 3 379.377 -0.078 20 0 GBADHM Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737610367 599284122 /nfs/dbraw/zinc/28/41/22/599284122.db2.gz OCFVSPPPUHJKET-CYBMUJFWSA-N -1 3 395.383 -0.540 20 0 GBADHM Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737610367 599284120 /nfs/dbraw/zinc/28/41/20/599284120.db2.gz OCFVSPPPUHJKET-CYBMUJFWSA-N -1 3 395.383 -0.540 20 0 GBADHM Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737610368 599284135 /nfs/dbraw/zinc/28/41/35/599284135.db2.gz OCFVSPPPUHJKET-ZDUSSCGKSA-N -1 3 395.383 -0.540 20 0 GBADHM Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737610368 599284134 /nfs/dbraw/zinc/28/41/34/599284134.db2.gz OCFVSPPPUHJKET-ZDUSSCGKSA-N -1 3 395.383 -0.540 20 0 GBADHM Cn1cc(N2CC[C@H](N[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737610693 599276605 /nfs/dbraw/zinc/27/66/05/599276605.db2.gz QCLKJMGKEMNMIE-KBPBESRZSA-N -1 3 381.400 -0.478 20 0 GBADHM Cn1cc(N2CC[C@H](N[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737610693 599276603 /nfs/dbraw/zinc/27/66/03/599276603.db2.gz QCLKJMGKEMNMIE-KBPBESRZSA-N -1 3 381.400 -0.478 20 0 GBADHM Cn1cc(N2CC[C@@H](N[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737610695 599276617 /nfs/dbraw/zinc/27/66/17/599276617.db2.gz QCLKJMGKEMNMIE-KGLIPLIRSA-N -1 3 381.400 -0.478 20 0 GBADHM Cn1cc(N2CC[C@@H](N[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737610695 599276615 /nfs/dbraw/zinc/27/66/15/599276615.db2.gz QCLKJMGKEMNMIE-KGLIPLIRSA-N -1 3 381.400 -0.478 20 0 GBADHM Cn1cc(N2CC[C@H](N[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737610696 599276930 /nfs/dbraw/zinc/27/69/30/599276930.db2.gz QCLKJMGKEMNMIE-UONOGXRCSA-N -1 3 381.400 -0.478 20 0 GBADHM Cn1cc(N2CC[C@H](N[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737610696 599276927 /nfs/dbraw/zinc/27/69/27/599276927.db2.gz QCLKJMGKEMNMIE-UONOGXRCSA-N -1 3 381.400 -0.478 20 0 GBADHM Cn1cc(N2CC[C@@H](N[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737610700 599276912 /nfs/dbraw/zinc/27/69/12/599276912.db2.gz QCLKJMGKEMNMIE-ZIAGYGMSSA-N -1 3 381.400 -0.478 20 0 GBADHM Cn1cc(N2CC[C@@H](N[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737610700 599276908 /nfs/dbraw/zinc/27/69/08/599276908.db2.gz QCLKJMGKEMNMIE-ZIAGYGMSSA-N -1 3 381.400 -0.478 20 0 GBADHM Cn1cc(N2CC[C@H](N3CCN(c4ncccc4-c4nn[n-]n4)CC3)C2=O)cn1 ZINC000737610812 598700665 /nfs/dbraw/zinc/70/06/65/598700665.db2.gz RIOINVVEHSPUJC-HNNXBMFYSA-N -1 3 394.443 -0.077 20 0 GBADHM Cn1cc(N2CC[C@H](N3CCN(c4ncccc4-c4nnn[n-]4)CC3)C2=O)cn1 ZINC000737610812 598700663 /nfs/dbraw/zinc/70/06/63/598700663.db2.gz RIOINVVEHSPUJC-HNNXBMFYSA-N -1 3 394.443 -0.077 20 0 GBADHM Cn1cc(N2CC[C@@H](N3CCN(c4ncccc4-c4nn[n-]n4)CC3)C2=O)cn1 ZINC000737610814 598700589 /nfs/dbraw/zinc/70/05/89/598700589.db2.gz RIOINVVEHSPUJC-OAHLLOKOSA-N -1 3 394.443 -0.077 20 0 GBADHM Cn1cc(N2CC[C@@H](N3CCN(c4ncccc4-c4nnn[n-]4)CC3)C2=O)cn1 ZINC000737610814 598700587 /nfs/dbraw/zinc/70/05/87/598700587.db2.gz RIOINVVEHSPUJC-OAHLLOKOSA-N -1 3 394.443 -0.077 20 0 GBADHM Cn1ccc(NC(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000737610899 599510174 /nfs/dbraw/zinc/51/01/74/599510174.db2.gz AFKHEESJZOJUMY-UHFFFAOYSA-N -1 3 382.388 -0.718 20 0 GBADHM Cn1ccc(NC(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000737610899 599510172 /nfs/dbraw/zinc/51/01/72/599510172.db2.gz AFKHEESJZOJUMY-UHFFFAOYSA-N -1 3 382.388 -0.718 20 0 GBADHM Cn1cc(N2CC[C@H](NC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737611251 599260806 /nfs/dbraw/zinc/26/08/06/599260806.db2.gz UABQMNQVEXDRFJ-AWEZNQCLSA-N -1 3 382.384 -0.099 20 0 GBADHM Cn1cc(N2CC[C@@H](NC(=O)COc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737611258 599260531 /nfs/dbraw/zinc/26/05/31/599260531.db2.gz UABQMNQVEXDRFJ-CQSZACIVSA-N -1 3 382.384 -0.099 20 0 GBADHM Cn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)c(F)c2)c(=O)n(C)c1=O ZINC000737611289 598558927 /nfs/dbraw/zinc/55/89/27/598558927.db2.gz UNUSSRLRCLHYTA-UHFFFAOYSA-N -1 3 382.333 -0.829 20 0 GBADHM Cn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)c(F)c2)c(=O)n(C)c1=O ZINC000737611289 598558926 /nfs/dbraw/zinc/55/89/26/598558926.db2.gz UNUSSRLRCLHYTA-UHFFFAOYSA-N -1 3 382.333 -0.829 20 0 GBADHM Cn1ccc(NC(=O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000737611759 599509988 /nfs/dbraw/zinc/50/99/88/599509988.db2.gz GREDQYLZXJGZBB-UHFFFAOYSA-N -1 3 382.388 -0.718 20 0 GBADHM Cn1ccc(NC(=O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000737611759 599509985 /nfs/dbraw/zinc/50/99/85/599509985.db2.gz GREDQYLZXJGZBB-UHFFFAOYSA-N -1 3 382.388 -0.718 20 0 GBADHM Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737612280 599283714 /nfs/dbraw/zinc/28/37/14/599283714.db2.gz YBTJYBCTKPDVQW-CYBMUJFWSA-N -1 3 395.383 -0.540 20 0 GBADHM Cn1cc(N2CC[C@@H](NC(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737612280 599283712 /nfs/dbraw/zinc/28/37/12/599283712.db2.gz YBTJYBCTKPDVQW-CYBMUJFWSA-N -1 3 395.383 -0.540 20 0 GBADHM Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000737612283 599284076 /nfs/dbraw/zinc/28/40/76/599284076.db2.gz YBTJYBCTKPDVQW-ZDUSSCGKSA-N -1 3 395.383 -0.540 20 0 GBADHM Cn1cc(N2CC[C@H](NC(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000737612283 599284074 /nfs/dbraw/zinc/28/40/74/599284074.db2.gz YBTJYBCTKPDVQW-ZDUSSCGKSA-N -1 3 395.383 -0.540 20 0 GBADHM Cn1cc(N2CC[C@@H](NC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737612320 599260592 /nfs/dbraw/zinc/26/05/92/599260592.db2.gz YGNYPHHYTNOYNK-CYBMUJFWSA-N -1 3 382.384 -0.099 20 0 GBADHM Cn1cc(N2CC[C@@H](NC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737612320 599260590 /nfs/dbraw/zinc/26/05/90/599260590.db2.gz YGNYPHHYTNOYNK-CYBMUJFWSA-N -1 3 382.384 -0.099 20 0 GBADHM Cn1cc(N2CC[C@H](NC(=O)COc3ccccc3-c3nn[n-]n3)C2=O)cn1 ZINC000737612322 599260785 /nfs/dbraw/zinc/26/07/85/599260785.db2.gz YGNYPHHYTNOYNK-ZDUSSCGKSA-N -1 3 382.384 -0.099 20 0 GBADHM Cn1cc(N2CC[C@H](NC(=O)COc3ccccc3-c3nnn[n-]3)C2=O)cn1 ZINC000737612322 599260783 /nfs/dbraw/zinc/26/07/83/599260783.db2.gz YGNYPHHYTNOYNK-ZDUSSCGKSA-N -1 3 382.384 -0.099 20 0 GBADHM Cn1cc(N2CC[C@@H](NS(=O)(=O)c3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737612399 599275194 /nfs/dbraw/zinc/27/51/94/599275194.db2.gz YWOTXGHOVRPJJZ-CYBMUJFWSA-N -1 3 388.413 -0.316 20 0 GBADHM Cn1cc(N2CC[C@@H](NS(=O)(=O)c3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737612399 599275191 /nfs/dbraw/zinc/27/51/91/599275191.db2.gz YWOTXGHOVRPJJZ-CYBMUJFWSA-N -1 3 388.413 -0.316 20 0 GBADHM Cn1cc(N2CC[C@H](NS(=O)(=O)c3cccc(-c4nn[n-]n4)c3)C2=O)cn1 ZINC000737612404 599274970 /nfs/dbraw/zinc/27/49/70/599274970.db2.gz YWOTXGHOVRPJJZ-ZDUSSCGKSA-N -1 3 388.413 -0.316 20 0 GBADHM Cn1cc(N2CC[C@H](NS(=O)(=O)c3cccc(-c4nnn[n-]4)c3)C2=O)cn1 ZINC000737612404 599274969 /nfs/dbraw/zinc/27/49/69/599274969.db2.gz YWOTXGHOVRPJJZ-ZDUSSCGKSA-N -1 3 388.413 -0.316 20 0 GBADHM Cn1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000737612561 599510122 /nfs/dbraw/zinc/51/01/22/599510122.db2.gz KYCZXFIVLRLILI-UHFFFAOYSA-N -1 3 395.427 -0.117 20 0 GBADHM Cn1ccc(NC(=O)C(=O)N2CCN(Cc3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000737612561 599510120 /nfs/dbraw/zinc/51/01/20/599510120.db2.gz KYCZXFIVLRLILI-UHFFFAOYSA-N -1 3 395.427 -0.117 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000737612781 598598904 /nfs/dbraw/zinc/59/89/04/598598904.db2.gz ZVYRCZSPEIPSOZ-UHFFFAOYSA-N -1 3 380.365 -0.344 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000737612781 598598903 /nfs/dbraw/zinc/59/89/03/598598903.db2.gz ZVYRCZSPEIPSOZ-UHFFFAOYSA-N -1 3 380.365 -0.344 20 0 GBADHM Cn1ccc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)n1 ZINC000737613352 599510267 /nfs/dbraw/zinc/51/02/67/599510267.db2.gz PTJHBZHTWKZVQE-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1ccc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)n1 ZINC000737613352 599510265 /nfs/dbraw/zinc/51/02/65/599510265.db2.gz PTJHBZHTWKZVQE-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1ccc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000737613857 599509757 /nfs/dbraw/zinc/50/97/57/599509757.db2.gz RZNPJLSAHONZIO-UHFFFAOYSA-N -1 3 382.388 -0.718 20 0 GBADHM Cn1ccc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000737613857 599509755 /nfs/dbraw/zinc/50/97/55/599509755.db2.gz RZNPJLSAHONZIO-UHFFFAOYSA-N -1 3 382.388 -0.718 20 0 GBADHM Cn1ccnc1CN1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737614986 599076203 /nfs/dbraw/zinc/07/62/03/599076203.db2.gz DBZGNOAZFKXAIE-INIZCTEOSA-N -1 3 381.444 -0.056 20 0 GBADHM Cn1ccnc1CN1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737614986 599076200 /nfs/dbraw/zinc/07/62/00/599076200.db2.gz DBZGNOAZFKXAIE-INIZCTEOSA-N -1 3 381.444 -0.056 20 0 GBADHM Cn1ccnc1CN1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737614991 599076168 /nfs/dbraw/zinc/07/61/68/599076168.db2.gz DBZGNOAZFKXAIE-MRXNPFEDSA-N -1 3 381.444 -0.056 20 0 GBADHM Cn1ccnc1CN1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737614991 599076165 /nfs/dbraw/zinc/07/61/65/599076165.db2.gz DBZGNOAZFKXAIE-MRXNPFEDSA-N -1 3 381.444 -0.056 20 0 GBADHM Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737615394 598373970 /nfs/dbraw/zinc/37/39/70/598373970.db2.gz JGZXDLBXTQDIBO-UHFFFAOYSA-N -1 3 395.427 -0.117 20 0 GBADHM Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737615394 598373968 /nfs/dbraw/zinc/37/39/68/598373968.db2.gz JGZXDLBXTQDIBO-UHFFFAOYSA-N -1 3 395.427 -0.117 20 0 GBADHM Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737616247 598374022 /nfs/dbraw/zinc/37/40/22/598374022.db2.gz QJGCNXPMJANOIF-UHFFFAOYSA-N -1 3 395.427 -0.117 20 0 GBADHM Cn1ccnc1CN1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737616247 598374020 /nfs/dbraw/zinc/37/40/20/598374020.db2.gz QJGCNXPMJANOIF-UHFFFAOYSA-N -1 3 395.427 -0.117 20 0 GBADHM Cn1cnc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737618335 598525945 /nfs/dbraw/zinc/52/59/45/598525945.db2.gz GTNAOBZRHCUHMJ-UHFFFAOYSA-N -1 3 375.418 -0.494 20 0 GBADHM Cn1cnc(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c1 ZINC000737618335 598525944 /nfs/dbraw/zinc/52/59/44/598525944.db2.gz GTNAOBZRHCUHMJ-UHFFFAOYSA-N -1 3 375.418 -0.494 20 0 GBADHM Cn1cnc(S(=O)(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000737618354 598526224 /nfs/dbraw/zinc/52/62/24/598526224.db2.gz HOKVMPFYYOEXKV-UHFFFAOYSA-N -1 3 375.418 -0.494 20 0 GBADHM Cn1cnc(S(=O)(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000737618354 598526223 /nfs/dbraw/zinc/52/62/23/598526223.db2.gz HOKVMPFYYOEXKV-UHFFFAOYSA-N -1 3 375.418 -0.494 20 0 GBADHM Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(F)c(-c3nn[n-]n3)c1)c(=O)n2C ZINC000737618363 598589007 /nfs/dbraw/zinc/58/90/07/598589007.db2.gz HZBCMAYTJZWPMG-UHFFFAOYSA-N -1 3 399.346 -0.608 20 0 GBADHM Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(F)c(-c3nnn[n-]3)c1)c(=O)n2C ZINC000737618363 598589005 /nfs/dbraw/zinc/58/90/05/598589005.db2.gz HZBCMAYTJZWPMG-UHFFFAOYSA-N -1 3 399.346 -0.608 20 0 GBADHM Cn1cnnc1SCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737618685 598383137 /nfs/dbraw/zinc/38/31/37/598383137.db2.gz JUDHBXNBWAZBSE-UHFFFAOYSA-N -1 3 386.445 -0.169 20 0 GBADHM Cn1cnnc1SCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737618685 598383136 /nfs/dbraw/zinc/38/31/36/598383136.db2.gz JUDHBXNBWAZBSE-UHFFFAOYSA-N -1 3 386.445 -0.169 20 0 GBADHM Cn1cnc(S(=O)(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000737619593 598526575 /nfs/dbraw/zinc/52/65/75/598526575.db2.gz WLKVGCPHGHCUEA-UHFFFAOYSA-N -1 3 375.418 -0.494 20 0 GBADHM Cn1cnc(S(=O)(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1 ZINC000737619593 598526574 /nfs/dbraw/zinc/52/65/74/598526574.db2.gz WLKVGCPHGHCUEA-UHFFFAOYSA-N -1 3 375.418 -0.494 20 0 GBADHM Cn1cnc(S(=O)(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)c1 ZINC000737619600 598526583 /nfs/dbraw/zinc/52/65/83/598526583.db2.gz WTPKDLACPNNDTN-UHFFFAOYSA-N -1 3 389.445 -0.058 20 0 GBADHM Cn1nc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c2ccccc2c1=O ZINC000737621464 598602820 /nfs/dbraw/zinc/60/28/20/598602820.db2.gz HGPRGGWTQJSKFG-UHFFFAOYSA-N -1 3 381.356 -0.251 20 0 GBADHM Cn1nc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c2ccccc2c1=O ZINC000737621464 598602819 /nfs/dbraw/zinc/60/28/19/598602819.db2.gz HGPRGGWTQJSKFG-UHFFFAOYSA-N -1 3 381.356 -0.251 20 0 GBADHM Cn1ncc2c1nc(N1CCN(c3cc(-c4nn[n-]n4)ccn3)CC1)[nH]c2=O ZINC000737622137 598671832 /nfs/dbraw/zinc/67/18/32/598671832.db2.gz JGFMESKQGVBPGY-UHFFFAOYSA-N -1 3 379.388 -0.029 20 0 GBADHM Cn1ncc2c1nc(N1CCN(c3cc(-c4nnn[n-]4)ccn3)CC1)[nH]c2=O ZINC000737622137 598671830 /nfs/dbraw/zinc/67/18/30/598671830.db2.gz JGFMESKQGVBPGY-UHFFFAOYSA-N -1 3 379.388 -0.029 20 0 GBADHM Cn1ncc2c1nc(N1CCN(c3ccc(-c4nn[n-]n4)cn3)CC1)[nH]c2=O ZINC000737622363 598671899 /nfs/dbraw/zinc/67/18/99/598671899.db2.gz MWVZEHDAESTACH-UHFFFAOYSA-N -1 3 379.388 -0.029 20 0 GBADHM Cn1ncc2c1nc(N1CCN(c3ccc(-c4nnn[n-]4)cn3)CC1)[nH]c2=O ZINC000737622363 598671897 /nfs/dbraw/zinc/67/18/97/598671897.db2.gz MWVZEHDAESTACH-UHFFFAOYSA-N -1 3 379.388 -0.029 20 0 GBADHM Cn1nc(CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c2ccccc2c1=O ZINC000737623236 598602868 /nfs/dbraw/zinc/60/28/68/598602868.db2.gz RDCRVRWZTUOJPS-UHFFFAOYSA-N -1 3 395.383 -0.322 20 0 GBADHM Cn1nc(CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c2ccccc2c1=O ZINC000737623236 598602867 /nfs/dbraw/zinc/60/28/67/598602867.db2.gz RDCRVRWZTUOJPS-UHFFFAOYSA-N -1 3 395.383 -0.322 20 0 GBADHM Cn1ncc2c1nc(CN1CCN(c3ncccc3-c3nn[n-]n3)CC1)[nH]c2=O ZINC000737624690 598250145 /nfs/dbraw/zinc/25/01/45/598250145.db2.gz YCBXLWXPJTVDER-UHFFFAOYSA-N -1 3 393.415 -0.034 20 0 GBADHM Cn1ncc2c1nc(CN1CCN(c3ncccc3-c3nnn[n-]3)CC1)[nH]c2=O ZINC000737624690 598250143 /nfs/dbraw/zinc/25/01/43/598250143.db2.gz YCBXLWXPJTVDER-UHFFFAOYSA-N -1 3 393.415 -0.034 20 0 GBADHM Cn1nnnc1COC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737626688 598844188 /nfs/dbraw/zinc/84/41/88/598844188.db2.gz JFNVRHFKZWCREZ-UHFFFAOYSA-N -1 3 378.374 -0.952 20 0 GBADHM Cn1nnnc1COC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737626688 598844187 /nfs/dbraw/zinc/84/41/87/598844187.db2.gz JFNVRHFKZWCREZ-UHFFFAOYSA-N -1 3 378.374 -0.952 20 0 GBADHM Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737627591 598458499 /nfs/dbraw/zinc/45/84/99/598458499.db2.gz KPCKLPAMTNXPJO-UHFFFAOYSA-N -1 3 391.399 -0.099 20 0 GBADHM Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737627591 598458498 /nfs/dbraw/zinc/45/84/98/598458498.db2.gz KPCKLPAMTNXPJO-UHFFFAOYSA-N -1 3 391.399 -0.099 20 0 GBADHM Cn1ncnc1CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737628071 599124893 /nfs/dbraw/zinc/12/48/93/599124893.db2.gz MTNNLNGLNAQRIE-UHFFFAOYSA-N -1 3 389.445 -0.498 20 0 GBADHM Cn1ncnc1CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737628071 599124890 /nfs/dbraw/zinc/12/48/90/599124890.db2.gz MTNNLNGLNAQRIE-UHFFFAOYSA-N -1 3 389.445 -0.498 20 0 GBADHM Cn1ncc2c1ncn(CC(=O)OCCNc1ncccc1-c1nn[n-]n1)c2=O ZINC000737628113 598738864 /nfs/dbraw/zinc/73/88/64/598738864.db2.gz NZWCIPUBJSIXKO-UHFFFAOYSA-N -1 3 396.371 -0.640 20 0 GBADHM Cn1ncc2c1ncn(CC(=O)OCCNc1ncccc1-c1nnn[n-]1)c2=O ZINC000737628113 598738863 /nfs/dbraw/zinc/73/88/63/598738863.db2.gz NZWCIPUBJSIXKO-UHFFFAOYSA-N -1 3 396.371 -0.640 20 0 GBADHM Cn1ncc2c1ncn(CC(=O)NCCOc1ccc(-c3nn[n-]n3)cc1)c2=O ZINC000737628825 599217972 /nfs/dbraw/zinc/21/79/72/599217972.db2.gz ROYLFNOQBUBWID-UHFFFAOYSA-N -1 3 395.383 -0.495 20 0 GBADHM Cn1nnnc1SCCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000737628959 599299461 /nfs/dbraw/zinc/29/94/61/599299461.db2.gz YTNHIDZBOSWXNQ-UHFFFAOYSA-N -1 3 379.435 -0.187 20 0 GBADHM Cn1nnnc1SCCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000737628959 599299460 /nfs/dbraw/zinc/29/94/60/599299460.db2.gz YTNHIDZBOSWXNQ-UHFFFAOYSA-N -1 3 379.435 -0.187 20 0 GBADHM Cn1ncc2c1ncnc2N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737629496 599021497 /nfs/dbraw/zinc/02/14/97/599021497.db2.gz WNDCWXRMESHIQS-UHFFFAOYSA-N -1 3 391.399 -0.099 20 0 GBADHM Cn1ncc2c1nc(N1CCN(c3ncccc3-c3nn[n-]n3)CC1)[nH]c2=O ZINC000737629722 598672016 /nfs/dbraw/zinc/67/20/16/598672016.db2.gz YYPHQRVPHVZHQF-UHFFFAOYSA-N -1 3 379.388 -0.029 20 0 GBADHM Cn1ncc2c1nc(N1CCN(c3ncccc3-c3nnn[n-]3)CC1)[nH]c2=O ZINC000737629722 598672014 /nfs/dbraw/zinc/67/20/14/598672014.db2.gz YYPHQRVPHVZHQF-UHFFFAOYSA-N -1 3 379.388 -0.029 20 0 GBADHM Cn1ncc2c1ncn(CC(=O)NCc1ccc(-c3nn[n-]n3)cc1F)c2=O ZINC000737629729 598303994 /nfs/dbraw/zinc/30/39/94/598303994.db2.gz ZEQLHAUXIIQEIC-UHFFFAOYSA-N -1 3 383.347 -0.234 20 0 GBADHM Cn1ncc2c1ncn(CC(=O)NCc1ccc(-c3nnn[n-]3)cc1F)c2=O ZINC000737629729 598303992 /nfs/dbraw/zinc/30/39/92/598303992.db2.gz ZEQLHAUXIIQEIC-UHFFFAOYSA-N -1 3 383.347 -0.234 20 0 GBADHM NC(=O)C(NC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(N)=O ZINC000737729678 598699481 /nfs/dbraw/zinc/69/94/81/598699481.db2.gz BDTWRFNORJWSRJ-UHFFFAOYSA-N -1 3 385.340 -0.892 20 0 GBADHM NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737729727 598405151 /nfs/dbraw/zinc/40/51/51/598405151.db2.gz CGJLZWLZLJUFBA-HNNXBMFYSA-N -1 3 393.407 -0.191 20 0 GBADHM NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737729727 598405149 /nfs/dbraw/zinc/40/51/49/598405149.db2.gz CGJLZWLZLJUFBA-HNNXBMFYSA-N -1 3 393.407 -0.191 20 0 GBADHM NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737729728 598405500 /nfs/dbraw/zinc/40/55/00/598405500.db2.gz CGJLZWLZLJUFBA-OAHLLOKOSA-N -1 3 393.407 -0.191 20 0 GBADHM NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737729728 598405498 /nfs/dbraw/zinc/40/54/98/598405498.db2.gz CGJLZWLZLJUFBA-OAHLLOKOSA-N -1 3 393.407 -0.191 20 0 GBADHM NC(=O)C(NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000737729880 599021311 /nfs/dbraw/zinc/02/13/11/599021311.db2.gz FAMPHPDBRXABFL-UHFFFAOYSA-N -1 3 395.379 -0.485 20 0 GBADHM NC(=O)C(NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000737730411 599563143 /nfs/dbraw/zinc/56/31/43/599563143.db2.gz KJJNAWCDOAMXCH-UHFFFAOYSA-N -1 3 380.368 -0.321 20 0 GBADHM NC(=O)C(NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C(N)=O ZINC000737730809 598932244 /nfs/dbraw/zinc/93/22/44/598932244.db2.gz MEQOZAAEYRNILS-UHFFFAOYSA-N -1 3 395.379 -0.485 20 0 GBADHM NC(=O)C(NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C(N)=O ZINC000737730809 598932243 /nfs/dbraw/zinc/93/22/43/598932243.db2.gz MEQOZAAEYRNILS-UHFFFAOYSA-N -1 3 395.379 -0.485 20 0 GBADHM NC(=O)C(NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C(N)=O ZINC000737731392 598699569 /nfs/dbraw/zinc/69/95/69/598699569.db2.gz RMXATDSZTCILHH-UHFFFAOYSA-N -1 3 381.352 -0.272 20 0 GBADHM NC(=O)C(NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C(N)=O ZINC000737731392 598699568 /nfs/dbraw/zinc/69/95/68/598699568.db2.gz RMXATDSZTCILHH-UHFFFAOYSA-N -1 3 381.352 -0.272 20 0 GBADHM NC(=O)C(NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C(N)=O ZINC000737731528 599021583 /nfs/dbraw/zinc/02/15/83/599021583.db2.gz SISVNGWHCKXCRM-UHFFFAOYSA-N -1 3 395.379 -0.485 20 0 GBADHM NC(=O)C(NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C(N)=O ZINC000737731528 599021581 /nfs/dbraw/zinc/02/15/81/599021581.db2.gz SISVNGWHCKXCRM-UHFFFAOYSA-N -1 3 395.379 -0.485 20 0 GBADHM NC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737732504 598400465 /nfs/dbraw/zinc/40/04/65/598400465.db2.gz YSSLWNHTBMLEDL-HNNXBMFYSA-N -1 3 379.380 -0.061 20 0 GBADHM NC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737732504 598400464 /nfs/dbraw/zinc/40/04/64/598400464.db2.gz YSSLWNHTBMLEDL-HNNXBMFYSA-N -1 3 379.380 -0.061 20 0 GBADHM NC(=O)[C@H](NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000737732506 598400408 /nfs/dbraw/zinc/40/04/08/598400408.db2.gz YSSLWNHTBMLEDL-OAHLLOKOSA-N -1 3 379.380 -0.061 20 0 GBADHM NC(=O)[C@H](NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000737732506 598400407 /nfs/dbraw/zinc/40/04/07/598400407.db2.gz YSSLWNHTBMLEDL-OAHLLOKOSA-N -1 3 379.380 -0.061 20 0 GBADHM NC(=O)[C@H](OC(=O)CCN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735371 599123088 /nfs/dbraw/zinc/12/30/88/599123088.db2.gz CNUDPPJRLVKFLJ-CYBMUJFWSA-N -1 3 394.413 -0.638 20 0 GBADHM NC(=O)[C@H](OC(=O)CCN1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737735371 599123086 /nfs/dbraw/zinc/12/30/86/599123086.db2.gz CNUDPPJRLVKFLJ-CYBMUJFWSA-N -1 3 394.413 -0.638 20 0 GBADHM NC(=O)[C@@H](OC(=O)CCN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737735373 599122906 /nfs/dbraw/zinc/12/29/06/599122906.db2.gz CNUDPPJRLVKFLJ-ZDUSSCGKSA-N -1 3 394.413 -0.638 20 0 GBADHM NC(=O)[C@@H](OC(=O)CCN1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737735373 599122904 /nfs/dbraw/zinc/12/29/04/599122904.db2.gz CNUDPPJRLVKFLJ-ZDUSSCGKSA-N -1 3 394.413 -0.638 20 0 GBADHM NC(=O)[C@@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736033 599085663 /nfs/dbraw/zinc/08/56/63/599085663.db2.gz HBLGTNMAOYEQNH-AWEZNQCLSA-N -1 3 387.425 -0.170 20 0 GBADHM NC(=O)[C@@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736033 599085662 /nfs/dbraw/zinc/08/56/62/599085662.db2.gz HBLGTNMAOYEQNH-AWEZNQCLSA-N -1 3 387.425 -0.170 20 0 GBADHM NC(=O)[C@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736034 599086136 /nfs/dbraw/zinc/08/61/36/599086136.db2.gz HBLGTNMAOYEQNH-CQSZACIVSA-N -1 3 387.425 -0.170 20 0 GBADHM NC(=O)[C@H](NCc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736034 599086133 /nfs/dbraw/zinc/08/61/33/599086133.db2.gz HBLGTNMAOYEQNH-CQSZACIVSA-N -1 3 387.425 -0.170 20 0 GBADHM NC(=O)[C@@H](Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736404 599092505 /nfs/dbraw/zinc/09/25/05/599092505.db2.gz JMTMQIRKMKEHCE-INIZCTEOSA-N -1 3 393.411 -0.164 20 0 GBADHM NC(=O)[C@@H](Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736404 599092502 /nfs/dbraw/zinc/09/25/02/599092502.db2.gz JMTMQIRKMKEHCE-INIZCTEOSA-N -1 3 393.411 -0.164 20 0 GBADHM NC(=O)[C@H](Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736405 599092580 /nfs/dbraw/zinc/09/25/80/599092580.db2.gz JMTMQIRKMKEHCE-MRXNPFEDSA-N -1 3 393.411 -0.164 20 0 GBADHM NC(=O)[C@H](Nc1ccc(N2CCNC(=O)C2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736405 599092579 /nfs/dbraw/zinc/09/25/79/599092579.db2.gz JMTMQIRKMKEHCE-MRXNPFEDSA-N -1 3 393.411 -0.164 20 0 GBADHM NC(=O)[C@@H](OC(=O)CCCN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736892 599121110 /nfs/dbraw/zinc/12/11/10/599121110.db2.gz MKXOTZKKXQIFBL-HNNXBMFYSA-N -1 3 386.368 -0.135 20 0 GBADHM NC(=O)[C@@H](OC(=O)CCCN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736892 599121109 /nfs/dbraw/zinc/12/11/09/599121109.db2.gz MKXOTZKKXQIFBL-HNNXBMFYSA-N -1 3 386.368 -0.135 20 0 GBADHM NC(=O)[C@H](OC(=O)CCCN1C(=O)CCC1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736893 599121290 /nfs/dbraw/zinc/12/12/90/599121290.db2.gz MKXOTZKKXQIFBL-OAHLLOKOSA-N -1 3 386.368 -0.135 20 0 GBADHM NC(=O)[C@H](OC(=O)CCCN1C(=O)CCC1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736893 599121288 /nfs/dbraw/zinc/12/12/88/599121288.db2.gz MKXOTZKKXQIFBL-OAHLLOKOSA-N -1 3 386.368 -0.135 20 0 GBADHM NC(=O)C1(CNS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCOCC1 ZINC000737737270 598690582 /nfs/dbraw/zinc/69/05/82/598690582.db2.gz AANMFBIILWWAQY-UHFFFAOYSA-N -1 3 384.393 -0.434 20 0 GBADHM NC(=O)C1(CNS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC000737737270 598690579 /nfs/dbraw/zinc/69/05/79/598690579.db2.gz AANMFBIILWWAQY-UHFFFAOYSA-N -1 3 384.393 -0.434 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000737737387 599068119 /nfs/dbraw/zinc/06/81/19/599068119.db2.gz CMZYEELHYIEICP-KRWDZBQOSA-N -1 3 398.471 -0.367 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000737737387 599068116 /nfs/dbraw/zinc/06/81/16/599068116.db2.gz CMZYEELHYIEICP-KRWDZBQOSA-N -1 3 398.471 -0.367 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000737737390 599067828 /nfs/dbraw/zinc/06/78/28/599067828.db2.gz CMZYEELHYIEICP-QGZVFWFLSA-N -1 3 398.471 -0.367 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000737737390 599067826 /nfs/dbraw/zinc/06/78/26/599067826.db2.gz CMZYEELHYIEICP-QGZVFWFLSA-N -1 3 398.471 -0.367 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](CNc2cccnn2)C1 ZINC000737737405 599292723 /nfs/dbraw/zinc/29/27/23/599292723.db2.gz COPBBGLJXNKNKU-GDBMZVCRSA-N -1 3 395.427 -0.004 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](CNc2cccnn2)C1 ZINC000737737405 599292721 /nfs/dbraw/zinc/29/27/21/599292721.db2.gz COPBBGLJXNKNKU-GDBMZVCRSA-N -1 3 395.427 -0.004 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](CNc2cccnn2)C1 ZINC000737737407 599292683 /nfs/dbraw/zinc/29/26/83/599292683.db2.gz COPBBGLJXNKNKU-GOEBONIOSA-N -1 3 395.427 -0.004 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](CNc2cccnn2)C1 ZINC000737737407 599292681 /nfs/dbraw/zinc/29/26/81/599292681.db2.gz COPBBGLJXNKNKU-GOEBONIOSA-N -1 3 395.427 -0.004 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](CNc2cccnn2)C1 ZINC000737737408 599295279 /nfs/dbraw/zinc/29/52/79/599295279.db2.gz COPBBGLJXNKNKU-HOCLYGCPSA-N -1 3 395.427 -0.004 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](CNc2cccnn2)C1 ZINC000737737408 599295277 /nfs/dbraw/zinc/29/52/77/599295277.db2.gz COPBBGLJXNKNKU-HOCLYGCPSA-N -1 3 395.427 -0.004 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](CNc2cccnn2)C1 ZINC000737737412 599294914 /nfs/dbraw/zinc/29/49/14/599294914.db2.gz COPBBGLJXNKNKU-ZBFHGGJFSA-N -1 3 395.427 -0.004 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](CNc2cccnn2)C1 ZINC000737737412 599294912 /nfs/dbraw/zinc/29/49/12/599294912.db2.gz COPBBGLJXNKNKU-ZBFHGGJFSA-N -1 3 395.427 -0.004 20 0 GBADHM NC(=O)[C@@H]1CC(C(=O)Nc2ccncc2-c2nn[n-]n2)=NN1c1ccccc1 ZINC000737737867 599254478 /nfs/dbraw/zinc/25/44/78/599254478.db2.gz GBSIOGXLKFQXBH-AWEZNQCLSA-N -1 3 377.368 -0.258 20 0 GBADHM NC(=O)[C@@H]1CC(C(=O)Nc2ccncc2-c2nnn[n-]2)=NN1c1ccccc1 ZINC000737737867 599254477 /nfs/dbraw/zinc/25/44/77/599254477.db2.gz GBSIOGXLKFQXBH-AWEZNQCLSA-N -1 3 377.368 -0.258 20 0 GBADHM NC(=O)[C@H]1CC(C(=O)Nc2ccncc2-c2nn[n-]n2)=NN1c1ccccc1 ZINC000737737871 599254431 /nfs/dbraw/zinc/25/44/31/599254431.db2.gz GBSIOGXLKFQXBH-CQSZACIVSA-N -1 3 377.368 -0.258 20 0 GBADHM NC(=O)[C@H]1CC(C(=O)Nc2ccncc2-c2nnn[n-]2)=NN1c1ccccc1 ZINC000737737871 599254429 /nfs/dbraw/zinc/25/44/29/599254429.db2.gz GBSIOGXLKFQXBH-CQSZACIVSA-N -1 3 377.368 -0.258 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000737738138 599068670 /nfs/dbraw/zinc/06/86/70/599068670.db2.gz DUKYRKBWPPZSED-INIZCTEOSA-N -1 3 399.455 -0.036 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(C(=O)N2CCOCC2)CC1 ZINC000737738139 599068722 /nfs/dbraw/zinc/06/87/22/599068722.db2.gz DUKYRKBWPPZSED-MRXNPFEDSA-N -1 3 399.455 -0.036 20 0 GBADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738492 598902835 /nfs/dbraw/zinc/90/28/35/598902835.db2.gz VRUWFCBOWDXYPA-AWEZNQCLSA-N -1 3 381.352 -0.239 20 0 GBADHM NC(=O)[C@@H](OC(=O)CNC(=O)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738492 598902833 /nfs/dbraw/zinc/90/28/33/598902833.db2.gz VRUWFCBOWDXYPA-AWEZNQCLSA-N -1 3 381.352 -0.239 20 0 GBADHM NC(=O)[C@H](OC(=O)CNC(=O)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737738493 598902975 /nfs/dbraw/zinc/90/29/75/598902975.db2.gz VRUWFCBOWDXYPA-CQSZACIVSA-N -1 3 381.352 -0.239 20 0 GBADHM NC(=O)[C@H](OC(=O)CNC(=O)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737738493 598902973 /nfs/dbraw/zinc/90/29/73/598902973.db2.gz VRUWFCBOWDXYPA-CQSZACIVSA-N -1 3 381.352 -0.239 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000737738608 599077922 /nfs/dbraw/zinc/07/79/22/599077922.db2.gz GWEPMEYSQZWFBA-GWCFXTLKSA-N -1 3 379.446 -0.606 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000737738612 599077337 /nfs/dbraw/zinc/07/73/37/599077337.db2.gz GWEPMEYSQZWFBA-GXFFZTMASA-N -1 3 379.446 -0.606 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000737738618 599077495 /nfs/dbraw/zinc/07/74/95/599077495.db2.gz GWEPMEYSQZWFBA-MFKMUULPSA-N -1 3 379.446 -0.606 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000737738625 599077588 /nfs/dbraw/zinc/07/75/88/599077588.db2.gz GWEPMEYSQZWFBA-ZWNOBZJWSA-N -1 3 379.446 -0.606 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000737739329 599069284 /nfs/dbraw/zinc/06/92/84/599069284.db2.gz NIVGCVJCNYROAL-INIZCTEOSA-N -1 3 384.444 -0.711 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000737739329 599069281 /nfs/dbraw/zinc/06/92/81/599069281.db2.gz NIVGCVJCNYROAL-INIZCTEOSA-N -1 3 384.444 -0.711 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000737739332 599069204 /nfs/dbraw/zinc/06/92/04/599069204.db2.gz NIVGCVJCNYROAL-MRXNPFEDSA-N -1 3 384.444 -0.711 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(CC(=O)NC2CC2)CC1 ZINC000737739332 599069201 /nfs/dbraw/zinc/06/92/01/599069201.db2.gz NIVGCVJCNYROAL-MRXNPFEDSA-N -1 3 384.444 -0.711 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000737739932 599065992 /nfs/dbraw/zinc/06/59/92/599065992.db2.gz RZLLAPLOASIMFZ-CABCVRRESA-N -1 3 385.428 -0.284 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000737739932 599065989 /nfs/dbraw/zinc/06/59/89/599065989.db2.gz RZLLAPLOASIMFZ-CABCVRRESA-N -1 3 385.428 -0.284 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000737739933 599066515 /nfs/dbraw/zinc/06/65/15/599066515.db2.gz RZLLAPLOASIMFZ-GJZGRUSLSA-N -1 3 385.428 -0.284 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000737739933 599066511 /nfs/dbraw/zinc/06/65/11/599066511.db2.gz RZLLAPLOASIMFZ-GJZGRUSLSA-N -1 3 385.428 -0.284 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000737739934 599065921 /nfs/dbraw/zinc/06/59/21/599065921.db2.gz RZLLAPLOASIMFZ-HUUCEWRRSA-N -1 3 385.428 -0.284 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000737739934 599065918 /nfs/dbraw/zinc/06/59/18/599065918.db2.gz RZLLAPLOASIMFZ-HUUCEWRRSA-N -1 3 385.428 -0.284 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000737739936 599066314 /nfs/dbraw/zinc/06/63/14/599066314.db2.gz RZLLAPLOASIMFZ-LSDHHAIUSA-N -1 3 385.428 -0.284 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000737739936 599066312 /nfs/dbraw/zinc/06/63/12/599066312.db2.gz RZLLAPLOASIMFZ-LSDHHAIUSA-N -1 3 385.428 -0.284 20 0 GBADHM NC(=O)[C@@H]1CC(C(=O)Nc2ccncc2-c2nn[n-]n2)=NN1c1ccc(F)cc1 ZINC000737739984 599254369 /nfs/dbraw/zinc/25/43/69/599254369.db2.gz SEOFILYDSOKLRF-AWEZNQCLSA-N -1 3 395.358 -0.119 20 0 GBADHM NC(=O)[C@@H]1CC(C(=O)Nc2ccncc2-c2nnn[n-]2)=NN1c1ccc(F)cc1 ZINC000737739984 599254368 /nfs/dbraw/zinc/25/43/68/599254368.db2.gz SEOFILYDSOKLRF-AWEZNQCLSA-N -1 3 395.358 -0.119 20 0 GBADHM NC(=O)[C@H]1CC(C(=O)Nc2ccncc2-c2nn[n-]n2)=NN1c1ccc(F)cc1 ZINC000737739987 599254410 /nfs/dbraw/zinc/25/44/10/599254410.db2.gz SEOFILYDSOKLRF-CQSZACIVSA-N -1 3 395.358 -0.119 20 0 GBADHM NC(=O)[C@H]1CC(C(=O)Nc2ccncc2-c2nnn[n-]2)=NN1c1ccc(F)cc1 ZINC000737739987 599254408 /nfs/dbraw/zinc/25/44/08/599254408.db2.gz SEOFILYDSOKLRF-CQSZACIVSA-N -1 3 395.358 -0.119 20 0 GBADHM NC(=O)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nn[n-]n1 ZINC000737740795 598931509 /nfs/dbraw/zinc/93/15/09/598931509.db2.gz ASLOPHKZJCIXST-UHFFFAOYSA-N -1 3 387.379 -0.302 20 0 GBADHM NC(=O)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nnn[n-]1 ZINC000737740795 598931508 /nfs/dbraw/zinc/93/15/08/598931508.db2.gz ASLOPHKZJCIXST-UHFFFAOYSA-N -1 3 387.379 -0.302 20 0 GBADHM NC(=O)C1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nn[n-]n2)CC1 ZINC000737741516 598808772 /nfs/dbraw/zinc/80/87/72/598808772.db2.gz YDWPMFIHSKRHQW-UHFFFAOYSA-N -1 3 395.427 -0.051 20 0 GBADHM NC(=O)C1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2-c2nnn[n-]2)CC1 ZINC000737741516 598808770 /nfs/dbraw/zinc/80/87/70/598808770.db2.gz YDWPMFIHSKRHQW-UHFFFAOYSA-N -1 3 395.427 -0.051 20 0 GBADHM NC(=O)C1CCN(CN2CC(=O)N(Cc3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000737743826 598334954 /nfs/dbraw/zinc/33/49/54/598334954.db2.gz KIVFGWMRNYKNDS-UHFFFAOYSA-N -1 3 398.427 -0.214 20 0 GBADHM NC(=O)C1CCN(CN2CC(=O)N(Cc3ccccc3-c3nn[n-]n3)C2=O)CC1 ZINC000737744484 598334944 /nfs/dbraw/zinc/33/49/44/598334944.db2.gz LATACXDCLWSPNV-UHFFFAOYSA-N -1 3 398.427 -0.214 20 0 GBADHM NC(=O)CN(CC(N)=O)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737744843 598826214 /nfs/dbraw/zinc/82/62/14/598826214.db2.gz BWMBGZBQBCDQBW-UHFFFAOYSA-N -1 3 375.389 -0.785 20 0 GBADHM NC(=O)CN(CC(N)=O)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737744843 598826213 /nfs/dbraw/zinc/82/62/13/598826213.db2.gz BWMBGZBQBCDQBW-UHFFFAOYSA-N -1 3 375.389 -0.785 20 0 GBADHM NC(=O)CN(CC(N)=O)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000737745652 598807783 /nfs/dbraw/zinc/80/77/83/598807783.db2.gz DPBMLOXKEQKUJK-UHFFFAOYSA-N -1 3 399.367 -0.549 20 0 GBADHM NC(=O)CN(CC(N)=O)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000737745652 598807781 /nfs/dbraw/zinc/80/77/81/598807781.db2.gz DPBMLOXKEQKUJK-UHFFFAOYSA-N -1 3 399.367 -0.549 20 0 GBADHM NC(=O)CCn1ccc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737745658 599278769 /nfs/dbraw/zinc/27/87/69/599278769.db2.gz DQSGXPZCWYDGMU-UHFFFAOYSA-N -1 3 383.372 -0.693 20 0 GBADHM NC(=O)CCn1ccc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737745658 599278766 /nfs/dbraw/zinc/27/87/66/599278766.db2.gz DQSGXPZCWYDGMU-UHFFFAOYSA-N -1 3 383.372 -0.693 20 0 GBADHM NC(=O)CCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737745807 598564491 /nfs/dbraw/zinc/56/44/91/598564491.db2.gz FZHLMSHRTUQPCB-UHFFFAOYSA-N -1 3 383.315 -0.212 20 0 GBADHM NC(=O)CCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000737745807 598564489 /nfs/dbraw/zinc/56/44/89/598564489.db2.gz FZHLMSHRTUQPCB-UHFFFAOYSA-N -1 3 383.315 -0.212 20 0 GBADHM NC(=O)CN(CC(N)=O)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737747470 598826184 /nfs/dbraw/zinc/82/61/84/598826184.db2.gz NLMCICLXGMEYLP-UHFFFAOYSA-N -1 3 396.367 -0.533 20 0 GBADHM NC(=O)CN(CC(N)=O)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737747470 598826183 /nfs/dbraw/zinc/82/61/83/598826183.db2.gz NLMCICLXGMEYLP-UHFFFAOYSA-N -1 3 396.367 -0.533 20 0 GBADHM NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000737747771 598816558 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ZMCDKZQJXFRZBT-MRVPVSSYSA-N -1 3 395.326 -0.260 20 0 GBADHM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(F)F)C1 ZINC000737748483 598564350 /nfs/dbraw/zinc/56/43/50/598564350.db2.gz ZMCDKZQJXFRZBT-QMMMGPOBSA-N -1 3 395.326 -0.260 20 0 GBADHM NC(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(F)F)C1 ZINC000737748483 598564348 /nfs/dbraw/zinc/56/43/48/598564348.db2.gz ZMCDKZQJXFRZBT-QMMMGPOBSA-N -1 3 395.326 -0.260 20 0 GBADHM NC(=O)CN(CC(N)=O)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737748941 598826233 /nfs/dbraw/zinc/82/62/33/598826233.db2.gz SZPYFMSNACQFKJ-UHFFFAOYSA-N -1 3 399.367 -0.549 20 0 GBADHM NC(=O)CN1C[C@H](OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000737749685 598858720 /nfs/dbraw/zinc/85/87/20/598858720.db2.gz ZOGQJGAQRXMKNL-GFCCVEGCSA-N -1 3 390.425 -0.271 20 0 GBADHM NC(=O)CN1C[C@H](OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000737749685 598858718 /nfs/dbraw/zinc/85/87/18/598858718.db2.gz ZOGQJGAQRXMKNL-GFCCVEGCSA-N -1 3 390.425 -0.271 20 0 GBADHM 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GBADHM NC(=O)CN1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737753071 598819360 /nfs/dbraw/zinc/81/93/60/598819360.db2.gz KTWBZYBZMPLIIE-OAHLLOKOSA-N -1 3 384.444 -0.535 20 0 GBADHM NC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737753077 598605288 /nfs/dbraw/zinc/60/52/88/598605288.db2.gz KYDBWGRBULIQBV-INIZCTEOSA-N -1 3 398.471 -0.145 20 0 GBADHM NC(=O)CN1CCCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737753079 598605181 /nfs/dbraw/zinc/60/51/81/598605181.db2.gz KYDBWGRBULIQBV-MRXNPFEDSA-N -1 3 398.471 -0.145 20 0 GBADHM NC(=O)CNC(=S)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000737753115 598417388 /nfs/dbraw/zinc/41/73/88/598417388.db2.gz LWJYLRFFRRWHFF-UHFFFAOYSA-N -1 3 388.457 -0.123 20 0 GBADHM NC(=O)CNC(=S)N1CCC(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737753115 598417387 /nfs/dbraw/zinc/41/73/87/598417387.db2.gz LWJYLRFFRRWHFF-UHFFFAOYSA-N -1 3 388.457 -0.123 20 0 GBADHM NC(=O)CNC(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737753725 598459700 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NC(=O)CN1CCC(NS(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000737754455 598688882 /nfs/dbraw/zinc/68/88/82/598688882.db2.gz UXKLVZVWFCUZCJ-UHFFFAOYSA-N -1 3 383.409 -0.766 20 0 GBADHM NC(=O)CN1CCC(NS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000737754455 598688880 /nfs/dbraw/zinc/68/88/80/598688880.db2.gz UXKLVZVWFCUZCJ-UHFFFAOYSA-N -1 3 383.409 -0.766 20 0 GBADHM NC(=O)CN1CCN(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737754614 598470944 /nfs/dbraw/zinc/47/09/44/598470944.db2.gz YAQYJSFJKARPJM-UHFFFAOYSA-N -1 3 392.851 -0.048 20 0 GBADHM NC(=O)CN1CCN(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737754614 598470942 /nfs/dbraw/zinc/47/09/42/598470942.db2.gz YAQYJSFJKARPJM-UHFFFAOYSA-N -1 3 392.851 -0.048 20 0 GBADHM NC(=O)c1cc(S(=O)(=O)NCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000737755159 599319231 /nfs/dbraw/zinc/31/92/31/599319231.db2.gz JOKMDCNGFQYRGP-UHFFFAOYSA-N -1 3 390.385 -0.789 20 0 GBADHM NC(=O)c1cc(S(=O)(=O)NCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000737755159 599319229 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-0.281 20 0 GBADHM NC(=O)Cc1csc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737758341 598400416 /nfs/dbraw/zinc/40/04/16/598400416.db2.gz JIJHSLMOLLIUAK-UHFFFAOYSA-N -1 3 386.397 -0.281 20 0 GBADHM NC(=O)N[C@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC000737758578 598604444 /nfs/dbraw/zinc/60/44/44/598604444.db2.gz NMKVKHJUVGEMNM-GFCCVEGCSA-N -1 3 385.388 -0.012 20 0 GBADHM NC(=O)N[C@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)c1ccccc1 ZINC000737758578 598604442 /nfs/dbraw/zinc/60/44/42/598604442.db2.gz NMKVKHJUVGEMNM-GFCCVEGCSA-N -1 3 385.388 -0.012 20 0 GBADHM NC(=O)N[C@@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC000737758579 598604464 /nfs/dbraw/zinc/60/44/64/598604464.db2.gz NMKVKHJUVGEMNM-LBPRGKRZSA-N -1 3 385.388 -0.012 20 0 GBADHM NC(=O)N[C@@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)c1ccccc1 ZINC000737758579 598604463 /nfs/dbraw/zinc/60/44/63/598604463.db2.gz NMKVKHJUVGEMNM-LBPRGKRZSA-N -1 3 385.388 -0.012 20 0 GBADHM NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nn[n-]n4)cn3)CC2)nc1 ZINC000737760029 598474172 /nfs/dbraw/zinc/47/41/72/598474172.db2.gz NGVKKNUSBVMYOT-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4nnn[n-]4)cn3)CC2)nc1 ZINC000737760029 598474171 /nfs/dbraw/zinc/47/41/71/598474171.db2.gz NGVKKNUSBVMYOT-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763257 598755569 /nfs/dbraw/zinc/75/55/69/598755569.db2.gz ANRYPVCHNNEKTK-KBPBESRZSA-N -1 3 391.457 -0.275 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763259 598755359 /nfs/dbraw/zinc/75/53/59/598755359.db2.gz ANRYPVCHNNEKTK-KGLIPLIRSA-N -1 3 391.457 -0.275 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763260 598755286 /nfs/dbraw/zinc/75/52/86/598755286.db2.gz ANRYPVCHNNEKTK-UONOGXRCSA-N -1 3 391.457 -0.275 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763261 598755319 /nfs/dbraw/zinc/75/53/19/598755319.db2.gz ANRYPVCHNNEKTK-ZIAGYGMSSA-N -1 3 391.457 -0.275 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763337 598623296 /nfs/dbraw/zinc/62/32/96/598623296.db2.gz BUARLUXBISWKOM-LLVKDONJSA-N -1 3 379.446 -0.194 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763338 598623484 /nfs/dbraw/zinc/62/34/84/598623484.db2.gz BUARLUXBISWKOM-NSHDSACASA-N -1 3 379.446 -0.194 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763340 599031454 /nfs/dbraw/zinc/03/14/54/599031454.db2.gz BVANMWLVRUNBKL-JTQLQIEISA-N -1 3 386.459 -0.444 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737763340 599031449 /nfs/dbraw/zinc/03/14/49/599031449.db2.gz BVANMWLVRUNBKL-JTQLQIEISA-N -1 3 386.459 -0.444 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737763341 599032056 /nfs/dbraw/zinc/03/20/56/599032056.db2.gz BVANMWLVRUNBKL-SNVBAGLBSA-N -1 3 386.459 -0.444 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737763341 599032055 /nfs/dbraw/zinc/03/20/55/599032055.db2.gz BVANMWLVRUNBKL-SNVBAGLBSA-N -1 3 386.459 -0.444 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737763361 598898137 /nfs/dbraw/zinc/89/81/37/598898137.db2.gz CBJMRWIOKNRRCP-LLVKDONJSA-N -1 3 379.446 -0.194 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737763361 598898135 /nfs/dbraw/zinc/89/81/35/598898135.db2.gz CBJMRWIOKNRRCP-LLVKDONJSA-N -1 3 379.446 -0.194 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737763363 598897735 /nfs/dbraw/zinc/89/77/35/598897735.db2.gz CBJMRWIOKNRRCP-NSHDSACASA-N -1 3 379.446 -0.194 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737763363 598897733 /nfs/dbraw/zinc/89/77/33/598897733.db2.gz CBJMRWIOKNRRCP-NSHDSACASA-N -1 3 379.446 -0.194 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737763630 598917619 /nfs/dbraw/zinc/91/76/19/598917619.db2.gz DNABSKXGLUWFQE-CYBMUJFWSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737763630 598917617 /nfs/dbraw/zinc/91/76/17/598917617.db2.gz DNABSKXGLUWFQE-CYBMUJFWSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737763631 598917335 /nfs/dbraw/zinc/91/73/35/598917335.db2.gz DNABSKXGLUWFQE-ZDUSSCGKSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737763631 598917333 /nfs/dbraw/zinc/91/73/33/598917333.db2.gz DNABSKXGLUWFQE-ZDUSSCGKSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737763658 599031859 /nfs/dbraw/zinc/03/18/59/599031859.db2.gz FHMAFCXQGKPQTI-JTQLQIEISA-N -1 3 386.459 -0.444 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737763658 599031857 /nfs/dbraw/zinc/03/18/57/599031857.db2.gz FHMAFCXQGKPQTI-JTQLQIEISA-N -1 3 386.459 -0.444 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000737763659 599031635 /nfs/dbraw/zinc/03/16/35/599031635.db2.gz FHMAFCXQGKPQTI-SNVBAGLBSA-N -1 3 386.459 -0.444 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000737763659 599031633 /nfs/dbraw/zinc/03/16/33/599031633.db2.gz FHMAFCXQGKPQTI-SNVBAGLBSA-N -1 3 386.459 -0.444 20 0 GBADHM NS(=O)(=O)CC1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000737763702 598688949 /nfs/dbraw/zinc/68/89/49/598688949.db2.gz GCJZICJQGJAGCZ-UHFFFAOYSA-N -1 3 380.430 -0.227 20 0 GBADHM NS(=O)(=O)CC1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000737763702 598688947 /nfs/dbraw/zinc/68/89/47/598688947.db2.gz GCJZICJQGJAGCZ-UHFFFAOYSA-N -1 3 380.430 -0.227 20 0 GBADHM NS(=O)(=O)CC1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000737763734 598810477 /nfs/dbraw/zinc/81/04/77/598810477.db2.gz GQSZUTLBNIZAHT-UHFFFAOYSA-N -1 3 385.475 -0.133 20 0 GBADHM NS(=O)(=O)CC1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000737763734 598810476 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GBADHM NS(=O)(=O)N1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737764013 598687357 /nfs/dbraw/zinc/68/73/57/598687357.db2.gz COORNTVIISXAQI-UHFFFAOYSA-N -1 3 397.486 -0.552 20 0 GBADHM NS(=O)(=O)CCN1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000737764049 598985329 /nfs/dbraw/zinc/98/53/29/598985329.db2.gz DEAQYTHZIKXBDM-UHFFFAOYSA-N -1 3 388.457 -0.175 20 0 GBADHM NS(=O)(=O)CCN1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000737764049 598985327 /nfs/dbraw/zinc/98/53/27/598985327.db2.gz DEAQYTHZIKXBDM-UHFFFAOYSA-N -1 3 388.457 -0.175 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737764163 598308907 /nfs/dbraw/zinc/30/89/07/598308907.db2.gz FMHHXXCNKKHBIZ-UHFFFAOYSA-N -1 3 383.409 -0.463 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000737764163 598308905 /nfs/dbraw/zinc/30/89/05/598308905.db2.gz FMHHXXCNKKHBIZ-UHFFFAOYSA-N -1 3 383.409 -0.463 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737764204 599245258 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GBADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737764539 598690218 /nfs/dbraw/zinc/69/02/18/598690218.db2.gz MCSXFRWCUOFNET-LLVKDONJSA-N -1 3 380.430 -0.227 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737764539 598690216 /nfs/dbraw/zinc/69/02/16/598690216.db2.gz MCSXFRWCUOFNET-LLVKDONJSA-N -1 3 380.430 -0.227 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737764541 598690889 /nfs/dbraw/zinc/69/08/89/598690889.db2.gz MCSXFRWCUOFNET-NSHDSACASA-N -1 3 380.430 -0.227 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737764541 598690887 /nfs/dbraw/zinc/69/08/87/598690887.db2.gz MCSXFRWCUOFNET-NSHDSACASA-N -1 3 380.430 -0.227 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737764573 598915993 /nfs/dbraw/zinc/91/59/93/598915993.db2.gz MLDZDNJJJLVQOC-CYBMUJFWSA-N -1 3 393.473 -0.517 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737764579 598916025 /nfs/dbraw/zinc/91/60/25/598916025.db2.gz MLDZDNJJJLVQOC-ZDUSSCGKSA-N -1 3 393.473 -0.517 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764664 598428307 /nfs/dbraw/zinc/42/83/07/598428307.db2.gz JZQVCQICHGDKTF-LLVKDONJSA-N -1 3 394.461 -0.690 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737764664 598428306 /nfs/dbraw/zinc/42/83/06/598428306.db2.gz JZQVCQICHGDKTF-LLVKDONJSA-N -1 3 394.461 -0.690 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764666 598428260 /nfs/dbraw/zinc/42/82/60/598428260.db2.gz JZQVCQICHGDKTF-NSHDSACASA-N -1 3 394.461 -0.690 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737764666 598428259 /nfs/dbraw/zinc/42/82/59/598428259.db2.gz JZQVCQICHGDKTF-NSHDSACASA-N -1 3 394.461 -0.690 20 0 GBADHM NS(=O)(=O)CCCN1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000737764688 598510514 /nfs/dbraw/zinc/51/05/14/598510514.db2.gz KFPKIGKMHSGHRN-UHFFFAOYSA-N -1 3 382.450 -0.467 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764960 598847414 /nfs/dbraw/zinc/84/74/14/598847414.db2.gz LALFKYQULVCODT-CYBMUJFWSA-N -1 3 393.473 -0.169 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737764960 598847412 /nfs/dbraw/zinc/84/74/12/598847412.db2.gz LALFKYQULVCODT-CYBMUJFWSA-N -1 3 393.473 -0.169 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764965 598847511 /nfs/dbraw/zinc/84/75/11/598847511.db2.gz LALFKYQULVCODT-ZDUSSCGKSA-N -1 3 393.473 -0.169 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737764965 598847509 /nfs/dbraw/zinc/84/75/09/598847509.db2.gz LALFKYQULVCODT-ZDUSSCGKSA-N -1 3 393.473 -0.169 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764993 598916052 /nfs/dbraw/zinc/91/60/52/598916052.db2.gz PYKVOEJGFRLYJK-LLVKDONJSA-N -1 3 379.446 -0.194 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737764995 598916144 /nfs/dbraw/zinc/91/61/44/598916144.db2.gz PYKVOEJGFRLYJK-NSHDSACASA-N -1 3 379.446 -0.194 20 0 GBADHM NC(=O)c1cn(CC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c2ccccc12 ZINC000737765001 598604485 /nfs/dbraw/zinc/60/44/85/598604485.db2.gz QDGVYPPWFCNCOG-UHFFFAOYSA-N -1 3 395.383 -0.058 20 0 GBADHM NC(=O)c1cn(CC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c2ccccc12 ZINC000737765001 598604484 /nfs/dbraw/zinc/60/44/84/598604484.db2.gz QDGVYPPWFCNCOG-UHFFFAOYSA-N -1 3 395.383 -0.058 20 0 GBADHM NS(=O)(=O)CC1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737765004 598807541 /nfs/dbraw/zinc/80/75/41/598807541.db2.gz QEUBOWBAZKCOGI-UHFFFAOYSA-N -1 3 380.430 -0.227 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737765015 598845790 /nfs/dbraw/zinc/84/57/90/598845790.db2.gz LVQVLMNGYPBMCY-GFCCVEGCSA-N -1 3 379.446 -0.559 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737765015 598845789 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-0.227 20 0 GBADHM NS(=O)(=O)CC1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000737765068 598688911 /nfs/dbraw/zinc/68/89/11/598688911.db2.gz RLXWDPSIZCXCPI-UHFFFAOYSA-N -1 3 380.430 -0.227 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737765089 598845729 /nfs/dbraw/zinc/84/57/29/598845729.db2.gz NAJQBXXUCMETIX-LLVKDONJSA-N -1 3 395.445 -0.723 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737765089 598845726 /nfs/dbraw/zinc/84/57/26/598845726.db2.gz NAJQBXXUCMETIX-LLVKDONJSA-N -1 3 395.445 -0.723 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737765092 598847663 /nfs/dbraw/zinc/84/76/63/598847663.db2.gz NAJQBXXUCMETIX-NSHDSACASA-N -1 3 395.445 -0.723 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737765092 598847662 /nfs/dbraw/zinc/84/76/62/598847662.db2.gz NAJQBXXUCMETIX-NSHDSACASA-N -1 3 395.445 -0.723 20 0 GBADHM NC(=O)c1nccnc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000737765093 599321644 /nfs/dbraw/zinc/32/16/44/599321644.db2.gz SFJWMPXUNBKBJN-UHFFFAOYSA-N -1 3 397.374 -0.143 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(CC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000737765095 598897972 /nfs/dbraw/zinc/89/79/72/598897972.db2.gz SGAMXWSCVWEHJU-SECBINFHSA-N -1 3 385.475 -0.133 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737765095 598897970 /nfs/dbraw/zinc/89/79/70/598897970.db2.gz SGAMXWSCVWEHJU-SECBINFHSA-N -1 3 385.475 -0.133 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(CC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000737765098 598898378 /nfs/dbraw/zinc/89/83/78/598898378.db2.gz SGAMXWSCVWEHJU-VIFPVBQESA-N -1 3 385.475 -0.133 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000737765098 598898377 /nfs/dbraw/zinc/89/83/77/598898377.db2.gz SGAMXWSCVWEHJU-VIFPVBQESA-N -1 3 385.475 -0.133 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCCNc2ncccc2-c2nn[n-]n2)CC1 ZINC000737765117 598736112 /nfs/dbraw/zinc/73/61/12/598736112.db2.gz NFPAHHAAVROOKW-UHFFFAOYSA-N -1 3 396.433 -0.868 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCCNc2ncccc2-c2nnn[n-]2)CC1 ZINC000737765117 598736110 /nfs/dbraw/zinc/73/61/10/598736110.db2.gz NFPAHHAAVROOKW-UHFFFAOYSA-N -1 3 396.433 -0.868 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737765257 598847390 /nfs/dbraw/zinc/84/73/90/598847390.db2.gz OPNBBMKKRYMHJC-ABZNLYFFSA-N -1 3 391.457 -0.088 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737765257 598847388 /nfs/dbraw/zinc/84/73/88/598847388.db2.gz OPNBBMKKRYMHJC-ABZNLYFFSA-N -1 3 391.457 -0.088 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737765259 598847729 /nfs/dbraw/zinc/84/77/29/598847729.db2.gz OPNBBMKKRYMHJC-GUOLPTJISA-N -1 3 391.457 -0.088 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737765259 598847727 /nfs/dbraw/zinc/84/77/27/598847727.db2.gz OPNBBMKKRYMHJC-GUOLPTJISA-N -1 3 391.457 -0.088 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737765261 598847631 /nfs/dbraw/zinc/84/76/31/598847631.db2.gz OPNBBMKKRYMHJC-KRZKBDHCSA-N -1 3 391.457 -0.088 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737765261 598847629 /nfs/dbraw/zinc/84/76/29/598847629.db2.gz OPNBBMKKRYMHJC-KRZKBDHCSA-N -1 3 391.457 -0.088 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC000737765262 598847573 /nfs/dbraw/zinc/84/75/73/598847573.db2.gz OPNBBMKKRYMHJC-QDZRJHCZSA-N -1 3 391.457 -0.088 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC000737765262 598847572 /nfs/dbraw/zinc/84/75/72/598847572.db2.gz OPNBBMKKRYMHJC-QDZRJHCZSA-N -1 3 391.457 -0.088 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000737765551 598623453 /nfs/dbraw/zinc/62/34/53/598623453.db2.gz UNPXZPUWVYJGIY-LLVKDONJSA-N -1 3 380.430 -0.227 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN(C(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000737765551 598623451 /nfs/dbraw/zinc/62/34/51/598623451.db2.gz 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NS(=O)(=O)[C@@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737765769 598755356 /nfs/dbraw/zinc/75/53/56/598755356.db2.gz XFJMLOYTYRJXLZ-GFCCVEGCSA-N -1 3 382.471 -0.011 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737765775 598755584 /nfs/dbraw/zinc/75/55/84/598755584.db2.gz XFJMLOYTYRJXLZ-LBPRGKRZSA-N -1 3 382.471 -0.011 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737765775 598755583 /nfs/dbraw/zinc/75/55/83/598755583.db2.gz XFJMLOYTYRJXLZ-LBPRGKRZSA-N -1 3 382.471 -0.011 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)COC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737765794 598481391 /nfs/dbraw/zinc/48/13/91/598481391.db2.gz PSHIGWCWHMQHIX-UHFFFAOYSA-N -1 3 388.365 -0.051 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737765794 598481390 /nfs/dbraw/zinc/48/13/90/598481390.db2.gz PSHIGWCWHMQHIX-UHFFFAOYSA-N -1 3 388.365 -0.051 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000737765814 598847371 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-0.370 20 0 GBADHM NS(=O)(=O)CCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737765832 598605199 /nfs/dbraw/zinc/60/51/99/598605199.db2.gz QABBROYPUVTHQD-ZDUSSCGKSA-N -1 3 379.446 -0.370 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737766114 598623248 /nfs/dbraw/zinc/62/32/48/598623248.db2.gz XYNPLKGIJQZUSW-NSHDSACASA-N -1 3 380.430 -0.227 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737766154 598917662 /nfs/dbraw/zinc/91/76/62/598917662.db2.gz YJTQYBORTHLNLJ-CYBMUJFWSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737766154 598917661 /nfs/dbraw/zinc/91/76/61/598917661.db2.gz YJTQYBORTHLNLJ-CYBMUJFWSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737766157 598917802 /nfs/dbraw/zinc/91/78/02/598917802.db2.gz YJTQYBORTHLNLJ-ZDUSSCGKSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737766157 598917801 /nfs/dbraw/zinc/91/78/01/598917801.db2.gz YJTQYBORTHLNLJ-ZDUSSCGKSA-N -1 3 379.446 -0.764 20 0 GBADHM NC(=O)c1cccnc1N1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000737766174 598461927 /nfs/dbraw/zinc/46/19/27/598461927.db2.gz YLODADBFDTUYMH-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NC(=O)c1cccnc1N1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000737766174 598461925 /nfs/dbraw/zinc/46/19/25/598461925.db2.gz YLODADBFDTUYMH-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737766261 598755362 /nfs/dbraw/zinc/75/53/62/598755362.db2.gz YXXCZCZPFYXULM-MRVPVSSYSA-N -1 3 399.820 -0.652 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737766261 598755361 /nfs/dbraw/zinc/75/53/61/598755361.db2.gz YXXCZCZPFYXULM-MRVPVSSYSA-N -1 3 399.820 -0.652 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000737766271 598755338 /nfs/dbraw/zinc/75/53/38/598755338.db2.gz YXXCZCZPFYXULM-QMMMGPOBSA-N -1 3 399.820 -0.652 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000737766271 598755337 /nfs/dbraw/zinc/75/53/37/598755337.db2.gz YXXCZCZPFYXULM-QMMMGPOBSA-N -1 3 399.820 -0.652 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000737766701 598817560 /nfs/dbraw/zinc/81/75/60/598817560.db2.gz VBWDTSOXGDAANS-UHFFFAOYSA-N -1 3 394.442 -0.188 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737766744 598377712 /nfs/dbraw/zinc/37/77/12/598377712.db2.gz VTMCEIHRGGNCHH-LLVKDONJSA-N -1 3 394.461 -0.690 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737766744 598377710 /nfs/dbraw/zinc/37/77/10/598377710.db2.gz VTMCEIHRGGNCHH-LLVKDONJSA-N -1 3 394.461 -0.690 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000737766746 598377404 /nfs/dbraw/zinc/37/74/04/598377404.db2.gz VTMCEIHRGGNCHH-NSHDSACASA-N -1 3 394.461 -0.690 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000737766746 598377402 /nfs/dbraw/zinc/37/74/02/598377402.db2.gz VTMCEIHRGGNCHH-NSHDSACASA-N -1 3 394.461 -0.690 20 0 GBADHM NS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737767075 598819482 /nfs/dbraw/zinc/81/94/82/598819482.db2.gz XIWSKFXXAFVQLN-UHFFFAOYSA-N -1 3 387.809 -0.747 20 0 GBADHM NS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737767075 598819480 /nfs/dbraw/zinc/81/94/80/598819480.db2.gz XIWSKFXXAFVQLN-UHFFFAOYSA-N -1 3 387.809 -0.747 20 0 GBADHM NS(=O)(=O)N1CCN(C(=O)CSc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737767101 598687125 /nfs/dbraw/zinc/68/71/25/598687125.db2.gz XUVROFVFYGOGMV-UHFFFAOYSA-N -1 3 383.459 -0.694 20 0 GBADHM NS(=O)(=O)N1CCN(C(=O)CSc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737767101 598687123 /nfs/dbraw/zinc/68/71/23/598687123.db2.gz XUVROFVFYGOGMV-UHFFFAOYSA-N -1 3 383.459 -0.694 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000737767154 598706631 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NS(=O)(=O)c1cnn(CCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737768920 598711772 /nfs/dbraw/zinc/71/17/72/598711772.db2.gz BHTIXUMGGCLHBF-UHFFFAOYSA-N -1 3 395.376 -0.017 20 0 GBADHM NS(=O)(=O)c1cnn(CCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737768920 598711770 /nfs/dbraw/zinc/71/17/70/598711770.db2.gz BHTIXUMGGCLHBF-UHFFFAOYSA-N -1 3 395.376 -0.017 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCN(c3cnccn3)CC2)c(-c2nn[n-]n2)c1 ZINC000737769018 599271185 /nfs/dbraw/zinc/27/11/85/599271185.db2.gz CIUKDPKRCORAHZ-UHFFFAOYSA-N -1 3 387.429 -0.369 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCN(c3cnccn3)CC2)c(-c2nnn[n-]2)c1 ZINC000737769018 599271183 /nfs/dbraw/zinc/27/11/83/599271183.db2.gz CIUKDPKRCORAHZ-UHFFFAOYSA-N -1 3 387.429 -0.369 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC[C@H](n3cncn3)C2)c(-c2nn[n-]n2)c1 ZINC000737769021 599295042 /nfs/dbraw/zinc/29/50/42/599295042.db2.gz CJVRTKSBFSCRDZ-JTQLQIEISA-N -1 3 375.418 -0.053 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC[C@H](n3cncn3)C2)c(-c2nnn[n-]2)c1 ZINC000737769021 599295040 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ZINC000737770335 598634278 /nfs/dbraw/zinc/63/42/78/598634278.db2.gz SVKUXNKODKQBJP-UHFFFAOYSA-N -1 3 377.386 -0.051 20 0 GBADHM NS(=O)(=O)c1ccc(NCCNC(=O)c2ccco2)c(-c2nnn[n-]2)c1 ZINC000737770335 598634276 /nfs/dbraw/zinc/63/42/76/598634276.db2.gz SVKUXNKODKQBJP-UHFFFAOYSA-N -1 3 377.386 -0.051 20 0 GBADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737770404 599110166 /nfs/dbraw/zinc/11/01/66/599110166.db2.gz WFGQLMMVCIANKA-UHFFFAOYSA-N -1 3 377.361 -0.022 20 0 GBADHM NS(=O)(=O)c1ccc(F)c(CNC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737770404 599110165 /nfs/dbraw/zinc/11/01/65/599110165.db2.gz WFGQLMMVCIANKA-UHFFFAOYSA-N -1 3 377.361 -0.022 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)c(-c2nn[n-]n2)c1 ZINC000737770430 599258766 /nfs/dbraw/zinc/25/87/66/599258766.db2.gz WTHTWCRTCSDTDV-UHFFFAOYSA-N -1 3 377.430 -0.427 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)c(-c2nnn[n-]2)c1 ZINC000737770430 599258764 /nfs/dbraw/zinc/25/87/64/599258764.db2.gz 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Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CNC(=O)Cc1cccc(F)c1 ZINC000737770541 598605022 /nfs/dbraw/zinc/60/50/22/598605022.db2.gz KOSRPWSECVWRQS-UHFFFAOYSA-N -1 3 388.363 -0.313 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1ccc(N2CCOCC2)nc1 ZINC000737770555 598603258 /nfs/dbraw/zinc/60/32/58/598603258.db2.gz KXVMMFAGTPYXHC-UHFFFAOYSA-N -1 3 385.388 -0.266 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1ccc(N2CCOCC2)nc1 ZINC000737770555 598603255 /nfs/dbraw/zinc/60/32/55/598603255.db2.gz KXVMMFAGTPYXHC-UHFFFAOYSA-N -1 3 385.388 -0.266 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000737770570 598293889 /nfs/dbraw/zinc/29/38/89/598293889.db2.gz LFUQLSQMGSLHEV-UHFFFAOYSA-N -1 3 396.367 -0.125 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000737770570 598293887 /nfs/dbraw/zinc/29/38/87/598293887.db2.gz LFUQLSQMGSLHEV-UHFFFAOYSA-N -1 3 396.367 -0.125 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000737770573 598603127 /nfs/dbraw/zinc/60/31/27/598603127.db2.gz LKHXXPKCTVGFJP-SSDOTTSWSA-N -1 3 388.310 -0.401 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000737770573 598603125 /nfs/dbraw/zinc/60/31/25/598603125.db2.gz LKHXXPKCTVGFJP-SSDOTTSWSA-N -1 3 388.310 -0.401 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000737770575 598603414 /nfs/dbraw/zinc/60/34/14/598603414.db2.gz LKHXXPKCTVGFJP-ZETCQYMHSA-N -1 3 388.310 -0.401 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000737770575 598603413 /nfs/dbraw/zinc/60/34/13/598603413.db2.gz LKHXXPKCTVGFJP-ZETCQYMHSA-N -1 3 388.310 -0.401 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CSCC(=O)N1CCCCC1 ZINC000737770584 598604843 /nfs/dbraw/zinc/60/48/43/598604843.db2.gz LNGGQMZMPUHZLZ-UHFFFAOYSA-N -1 3 394.461 -0.066 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CSCC(=O)N1CCCCC1 ZINC000737770584 598604842 /nfs/dbraw/zinc/60/48/42/598604842.db2.gz LNGGQMZMPUHZLZ-UHFFFAOYSA-N -1 3 394.461 -0.066 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCNC(=O)OCC(F)(F)F ZINC000737770604 598604885 /nfs/dbraw/zinc/60/48/85/598604885.db2.gz LYPYROKHCMNJGW-UHFFFAOYSA-N -1 3 392.298 -0.133 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCNC(=O)OCC(F)(F)F ZINC000737770604 598604884 /nfs/dbraw/zinc/60/48/84/598604884.db2.gz LYPYROKHCMNJGW-UHFFFAOYSA-N -1 3 392.298 -0.133 20 0 GBADHM NS(=O)(=O)c1ccc(NCCC(=O)N2CCOCC2)c(-c2nn[n-]n2)c1 ZINC000737770746 599265806 /nfs/dbraw/zinc/26/58/06/599265806.db2.gz YDZKQFUGSFXJFC-UHFFFAOYSA-N -1 3 381.418 -0.825 20 0 GBADHM NS(=O)(=O)c1ccc(NCCC(=O)N2CCOCC2)c(-c2nnn[n-]2)c1 ZINC000737770746 599265803 /nfs/dbraw/zinc/26/58/03/599265803.db2.gz YDZKQFUGSFXJFC-UHFFFAOYSA-N -1 3 381.418 -0.825 20 0 GBADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)[C@H]2CCC(=O)N2)nn1-c1ccccc1 ZINC000737770755 598307998 /nfs/dbraw/zinc/30/79/98/598307998.db2.gz YRWDILXCAWAUGC-CYBMUJFWSA-N -1 3 395.427 -0.038 20 0 GBADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)[C@H]2CCC(=O)N2)nn1-c1ccccc1 ZINC000737770755 598307997 /nfs/dbraw/zinc/30/79/97/598307997.db2.gz YRWDILXCAWAUGC-CYBMUJFWSA-N -1 3 395.427 -0.038 20 0 GBADHM Nc1c(-c2nn[n-]n2)c(CCCNC(=O)[C@@H]2CCC(=O)N2)nn1-c1ccccc1 ZINC000737770756 598624555 /nfs/dbraw/zinc/62/45/55/598624555.db2.gz YRWDILXCAWAUGC-ZDUSSCGKSA-N -1 3 395.427 -0.038 20 0 GBADHM Nc1c(-c2nnn[n-]2)c(CCCNC(=O)[C@@H]2CCC(=O)N2)nn1-c1ccccc1 ZINC000737770756 598624553 /nfs/dbraw/zinc/62/45/53/598624553.db2.gz YRWDILXCAWAUGC-ZDUSSCGKSA-N -1 3 395.427 -0.038 20 0 GBADHM NS(=O)(=O)c1ccc(N2CC[C@@H](N3CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000737770770 599298818 /nfs/dbraw/zinc/29/88/18/599298818.db2.gz ZQYWGFUWGHCDOI-LLVKDONJSA-N -1 3 379.446 -0.575 20 0 GBADHM NS(=O)(=O)c1ccc(N2CC[C@@H](N3CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000737770770 599298815 /nfs/dbraw/zinc/29/88/15/599298815.db2.gz ZQYWGFUWGHCDOI-LLVKDONJSA-N -1 3 379.446 -0.575 20 0 GBADHM NS(=O)(=O)c1ccc(N2CC[C@H](N3CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000737770771 599302166 /nfs/dbraw/zinc/30/21/66/599302166.db2.gz ZQYWGFUWGHCDOI-NSHDSACASA-N -1 3 379.446 -0.575 20 0 GBADHM NS(=O)(=O)c1ccc(N2CC[C@H](N3CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000737770771 599302163 /nfs/dbraw/zinc/30/21/63/599302163.db2.gz ZQYWGFUWGHCDOI-NSHDSACASA-N -1 3 379.446 -0.575 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000737771518 598601165 /nfs/dbraw/zinc/60/11/65/598601165.db2.gz SERMTURQPYBGQQ-HTRCEHHLSA-N -1 3 388.310 -0.354 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000737771518 598601163 /nfs/dbraw/zinc/60/11/63/598601163.db2.gz SERMTURQPYBGQQ-HTRCEHHLSA-N -1 3 388.310 -0.354 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000737771522 598601514 /nfs/dbraw/zinc/60/15/14/598601514.db2.gz SERMTURQPYBGQQ-POYBYMJQSA-N -1 3 388.310 -0.354 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000737771522 598601512 /nfs/dbraw/zinc/60/15/12/598601512.db2.gz SERMTURQPYBGQQ-POYBYMJQSA-N -1 3 388.310 -0.354 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000737771526 598601208 /nfs/dbraw/zinc/60/12/08/598601208.db2.gz SERMTURQPYBGQQ-SVRRBLITSA-N -1 3 388.310 -0.354 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000737771526 598601206 /nfs/dbraw/zinc/60/12/06/598601206.db2.gz SERMTURQPYBGQQ-SVRRBLITSA-N -1 3 388.310 -0.354 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000737771531 598601654 /nfs/dbraw/zinc/60/16/54/598601654.db2.gz SERMTURQPYBGQQ-XPUUQOCRSA-N -1 3 388.310 -0.354 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000737771531 598601653 /nfs/dbraw/zinc/60/16/53/598601653.db2.gz SERMTURQPYBGQQ-XPUUQOCRSA-N -1 3 388.310 -0.354 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCNC(=O)Cc1ccccc1 ZINC000737771681 598603021 /nfs/dbraw/zinc/60/30/21/598603021.db2.gz TXYKERJJIJYBAN-UHFFFAOYSA-N -1 3 384.400 -0.062 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCNC(=O)Cc1ccccc1 ZINC000737771681 598603019 /nfs/dbraw/zinc/60/30/19/598603019.db2.gz TXYKERJJIJYBAN-UHFFFAOYSA-N -1 3 384.400 -0.062 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000737771725 598602939 /nfs/dbraw/zinc/60/29/39/598602939.db2.gz UIMYHERRMNSDOU-JTQLQIEISA-N -1 3 386.372 -0.170 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000737771725 598602937 /nfs/dbraw/zinc/60/29/37/598602937.db2.gz UIMYHERRMNSDOU-JTQLQIEISA-N -1 3 386.372 -0.170 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000737771729 598603245 /nfs/dbraw/zinc/60/32/45/598603245.db2.gz UIMYHERRMNSDOU-SNVBAGLBSA-N -1 3 386.372 -0.170 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000737771729 598603243 /nfs/dbraw/zinc/60/32/43/598603243.db2.gz UIMYHERRMNSDOU-SNVBAGLBSA-N -1 3 386.372 -0.170 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)Cn1c(=O)cnc2ccccc21 ZINC000737771746 598605913 /nfs/dbraw/zinc/60/59/13/598605913.db2.gz USQKMPVZOZFTKZ-UHFFFAOYSA-N -1 3 381.356 -0.401 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)Cn1c(=O)cnc2ccccc21 ZINC000737771746 598605912 /nfs/dbraw/zinc/60/59/12/598605912.db2.gz USQKMPVZOZFTKZ-UHFFFAOYSA-N -1 3 381.356 -0.401 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCn1nnc2ccccc2c1=O ZINC000737772258 598603089 /nfs/dbraw/zinc/60/30/89/598603089.db2.gz WUWTYEKUIYSSNT-UHFFFAOYSA-N -1 3 396.371 -0.616 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCn1nnc2ccccc2c1=O ZINC000737772258 598603086 /nfs/dbraw/zinc/60/30/86/598603086.db2.gz WUWTYEKUIYSSNT-UHFFFAOYSA-N -1 3 396.371 -0.616 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCn1cnc2ccccc2c1=O ZINC000737772490 598606936 /nfs/dbraw/zinc/60/69/36/598606936.db2.gz ZKCNFXRUGFMVQA-UHFFFAOYSA-N -1 3 395.383 -0.011 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCn1cnc2ccccc2c1=O ZINC000737772490 598606934 /nfs/dbraw/zinc/60/69/34/598606934.db2.gz ZKCNFXRUGFMVQA-UHFFFAOYSA-N -1 3 395.383 -0.011 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000737772528 598606824 /nfs/dbraw/zinc/60/68/24/598606824.db2.gz ZNSPNLPAFVHBQJ-UHFFFAOYSA-N -1 3 389.376 -0.947 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000737772528 598606823 /nfs/dbraw/zinc/60/68/23/598606823.db2.gz ZNSPNLPAFVHBQJ-UHFFFAOYSA-N -1 3 389.376 -0.947 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000737775532 598433107 /nfs/dbraw/zinc/43/31/07/598433107.db2.gz ACCJCYNTSDIDNK-UHFFFAOYSA-N -1 3 383.416 -0.303 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCN2CCOCC2)cc1 ZINC000737775532 598433106 /nfs/dbraw/zinc/43/31/06/598433106.db2.gz ACCJCYNTSDIDNK-UHFFFAOYSA-N -1 3 383.416 -0.303 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000737775542 598794392 /nfs/dbraw/zinc/79/43/92/598794392.db2.gz AQFKJMMOKZJNBZ-LLVKDONJSA-N -1 3 391.399 -0.029 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CCc3ncnn3C2)cc1 ZINC000737775542 598794391 /nfs/dbraw/zinc/79/43/91/598794391.db2.gz AQFKJMMOKZJNBZ-LLVKDONJSA-N -1 3 391.399 -0.029 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000737775543 598794553 /nfs/dbraw/zinc/79/45/53/598794553.db2.gz AQFKJMMOKZJNBZ-NSHDSACASA-N -1 3 391.399 -0.029 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CCc3ncnn3C2)cc1 ZINC000737775543 598794552 /nfs/dbraw/zinc/79/45/52/598794552.db2.gz AQFKJMMOKZJNBZ-NSHDSACASA-N -1 3 391.399 -0.029 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CC(n3cncn3)C2)cc1 ZINC000737775600 598766276 /nfs/dbraw/zinc/76/62/76/598766276.db2.gz CZGNTEQCTSZEEB-UHFFFAOYSA-N -1 3 377.372 -0.077 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CC(n3cncn3)C2)cc1 ZINC000737775600 598766274 /nfs/dbraw/zinc/76/62/74/598766274.db2.gz CZGNTEQCTSZEEB-UHFFFAOYSA-N -1 3 377.372 -0.077 20 0 GBADHM Nc1ncnc2c1ncn2CC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000737776010 598409667 /nfs/dbraw/zinc/40/96/67/598409667.db2.gz GFIGCHMKXKPWOO-UHFFFAOYSA-N -1 3 380.376 -0.788 20 0 GBADHM Nc1ncnc2c1ncn2CC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000737776010 598409666 /nfs/dbraw/zinc/40/96/66/598409666.db2.gz GFIGCHMKXKPWOO-UHFFFAOYSA-N -1 3 380.376 -0.788 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCN2C(=O)CCC2=O)cc1 ZINC000737776722 598868555 /nfs/dbraw/zinc/86/85/55/598868555.db2.gz QMFNVPUILLZTMP-UHFFFAOYSA-N -1 3 395.383 -0.487 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCN2C(=O)CCC2=O)cc1 ZINC000737776722 598868553 /nfs/dbraw/zinc/86/85/53/598868553.db2.gz QMFNVPUILLZTMP-UHFFFAOYSA-N -1 3 395.383 -0.487 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCCNC(=O)C2CC2)cc1 ZINC000737776723 598433392 /nfs/dbraw/zinc/43/33/92/598433392.db2.gz QPCCSUAHQBWKQB-UHFFFAOYSA-N -1 3 381.400 -0.109 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCCNC(=O)C2CC2)cc1 ZINC000737776723 598433390 /nfs/dbraw/zinc/43/33/90/598433390.db2.gz QPCCSUAHQBWKQB-UHFFFAOYSA-N -1 3 381.400 -0.109 20 0 GBADHM Nc1nc(N)nc(COC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737776836 598620727 /nfs/dbraw/zinc/62/07/27/598620727.db2.gz RUUXMUPNXOHDGW-LLVKDONJSA-N -1 3 382.388 -0.072 20 0 GBADHM Nc1nc(N)nc(COC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737776837 598620613 /nfs/dbraw/zinc/62/06/13/598620613.db2.gz RUUXMUPNXOHDGW-NSHDSACASA-N -1 3 382.388 -0.072 20 0 GBADHM Nc1ncnc2c1ncn2CC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000737776939 598383327 /nfs/dbraw/zinc/38/33/27/598383327.db2.gz UFCGHSZXKAXABH-UHFFFAOYSA-N -1 3 380.376 -0.788 20 0 GBADHM Nc1ncnc2c1ncn2CC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000737776939 598383325 /nfs/dbraw/zinc/38/33/25/598383325.db2.gz UFCGHSZXKAXABH-UHFFFAOYSA-N -1 3 380.376 -0.788 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000737778046 598287215 /nfs/dbraw/zinc/28/72/15/598287215.db2.gz WDUWXGSIOOITRI-UHFFFAOYSA-N -1 3 391.351 -0.077 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1NS(=O)(=O)N1CCOCC1 ZINC000737778217 598894090 /nfs/dbraw/zinc/89/40/90/598894090.db2.gz XWWABJSKHRMULP-UHFFFAOYSA-N -1 3 391.417 -0.377 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1NS(=O)(=O)N1CCOCC1 ZINC000737778217 598894089 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O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCNC(=O)c1cccnc1 ZINC000737888800 598403431 /nfs/dbraw/zinc/40/34/31/598403431.db2.gz FWQVUYOMBHVMHC-UHFFFAOYSA-N -1 3 394.395 -0.462 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCNC(=O)c1cccnc1 ZINC000737888800 598403429 /nfs/dbraw/zinc/40/34/29/598403429.db2.gz FWQVUYOMBHVMHC-UHFFFAOYSA-N -1 3 394.395 -0.462 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCCCN1C(=O)CNC1=O ZINC000737888908 598845442 /nfs/dbraw/zinc/84/54/42/598845442.db2.gz IFCTZBSHUTXVDG-UHFFFAOYSA-N -1 3 387.356 -0.918 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCCCN1C(=O)CNC1=O ZINC000737888908 598845441 /nfs/dbraw/zinc/84/54/41/598845441.db2.gz IFCTZBSHUTXVDG-UHFFFAOYSA-N -1 3 387.356 -0.918 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCc1nnc2n1CCCC2 ZINC000737888910 598403499 /nfs/dbraw/zinc/40/34/99/598403499.db2.gz IFGYLNDWQXWVHM-UHFFFAOYSA-N -1 3 381.400 -0.159 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCc1nnc2n1CCCC2 ZINC000737888910 598403497 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ZINC000738023998 599344963 /nfs/dbraw/zinc/34/49/63/599344963.db2.gz ZYVMRHMFOAWQRO-OAHLLOKOSA-N -1 3 385.428 -0.470 20 0 GBADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@@H]1CCCNC1=O ZINC000738033197 598480487 /nfs/dbraw/zinc/48/04/87/598480487.db2.gz XCZDSPMPPJWQJV-CYBMUJFWSA-N -1 3 385.432 -0.192 20 0 GBADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@@H]1CCCNC1=O ZINC000738033197 598480486 /nfs/dbraw/zinc/48/04/86/598480486.db2.gz XCZDSPMPPJWQJV-CYBMUJFWSA-N -1 3 385.432 -0.192 20 0 GBADHM O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N[C@H]1CCCNC1=O ZINC000738033199 598480639 /nfs/dbraw/zinc/48/06/39/598480639.db2.gz XCZDSPMPPJWQJV-ZDUSSCGKSA-N -1 3 385.432 -0.192 20 0 GBADHM O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N[C@H]1CCCNC1=O ZINC000738033199 598480637 /nfs/dbraw/zinc/48/06/37/598480637.db2.gz XCZDSPMPPJWQJV-ZDUSSCGKSA-N -1 3 385.432 -0.192 20 0 GBADHM O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000738033950 599615010 /nfs/dbraw/zinc/61/50/10/599615010.db2.gz 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O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738035201 599615038 /nfs/dbraw/zinc/61/50/38/599615038.db2.gz KGVFHDPNSFOYDE-LBPRGKRZSA-N -1 3 395.431 -0.300 20 0 GBADHM O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000738035201 599615037 /nfs/dbraw/zinc/61/50/37/599615037.db2.gz KGVFHDPNSFOYDE-LBPRGKRZSA-N -1 3 395.431 -0.300 20 0 GBADHM O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738035495 598293014 /nfs/dbraw/zinc/29/30/14/598293014.db2.gz LSMQTMGIKFARHO-GFCCVEGCSA-N -1 3 391.457 -0.115 20 0 GBADHM O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738035495 598293013 /nfs/dbraw/zinc/29/30/13/598293013.db2.gz LSMQTMGIKFARHO-GFCCVEGCSA-N -1 3 391.457 -0.115 20 0 GBADHM O=C(N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738035496 598293213 /nfs/dbraw/zinc/29/32/13/598293213.db2.gz LSMQTMGIKFARHO-LBPRGKRZSA-N -1 3 391.457 -0.115 20 0 GBADHM O=C(N[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738035496 598293212 /nfs/dbraw/zinc/29/32/12/598293212.db2.gz LSMQTMGIKFARHO-LBPRGKRZSA-N -1 3 391.457 -0.115 20 0 GBADHM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1sccc1-c1nn[n-]n1 ZINC000738036656 598718925 /nfs/dbraw/zinc/71/89/25/598718925.db2.gz SGGBVZPOGXVNQT-GHMZBOCLSA-N -1 3 398.470 -0.844 20 0 GBADHM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1sccc1-c1nnn[n-]1 ZINC000738036656 598718923 /nfs/dbraw/zinc/71/89/23/598718923.db2.gz SGGBVZPOGXVNQT-GHMZBOCLSA-N -1 3 398.470 -0.844 20 0 GBADHM O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1sccc1-c1nn[n-]n1 ZINC000738036657 598719037 /nfs/dbraw/zinc/71/90/37/598719037.db2.gz SGGBVZPOGXVNQT-MNOVXSKESA-N -1 3 398.470 -0.844 20 0 GBADHM O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1sccc1-c1nnn[n-]1 ZINC000738036657 598719035 /nfs/dbraw/zinc/71/90/35/598719035.db2.gz SGGBVZPOGXVNQT-MNOVXSKESA-N -1 3 398.470 -0.844 20 0 GBADHM O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1sccc1-c1nn[n-]n1 ZINC000738036659 598718602 /nfs/dbraw/zinc/71/86/02/598718602.db2.gz SGGBVZPOGXVNQT-QWRGUYRKSA-N -1 3 398.470 -0.844 20 0 GBADHM O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1sccc1-c1nnn[n-]1 ZINC000738036659 598718601 /nfs/dbraw/zinc/71/86/01/598718601.db2.gz SGGBVZPOGXVNQT-QWRGUYRKSA-N -1 3 398.470 -0.844 20 0 GBADHM O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1sccc1-c1nn[n-]n1 ZINC000738036660 598719019 /nfs/dbraw/zinc/71/90/19/598719019.db2.gz SGGBVZPOGXVNQT-WDEREUQCSA-N -1 3 398.470 -0.844 20 0 GBADHM O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1sccc1-c1nnn[n-]1 ZINC000738036660 598719017 /nfs/dbraw/zinc/71/90/17/598719017.db2.gz SGGBVZPOGXVNQT-WDEREUQCSA-N -1 3 398.470 -0.844 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000738036927 598398938 /nfs/dbraw/zinc/39/89/38/598398938.db2.gz ABTWXUIVUDORFY-UHFFFAOYSA-N -1 3 383.412 -0.323 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(C(=O)C2CC2)CC1 ZINC000738036927 598398935 /nfs/dbraw/zinc/39/89/35/598398935.db2.gz ABTWXUIVUDORFY-UHFFFAOYSA-N -1 3 383.412 -0.323 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCS(=O)(=O)CC1 ZINC000738036956 599604687 /nfs/dbraw/zinc/60/46/87/599604687.db2.gz BDQJFVPWLFNMFB-UHFFFAOYSA-N -1 3 378.414 -0.756 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCS(=O)(=O)CC1 ZINC000738036956 599604685 /nfs/dbraw/zinc/60/46/85/599604685.db2.gz BDQJFVPWLFNMFB-UHFFFAOYSA-N -1 3 378.414 -0.756 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000738037031 599300205 /nfs/dbraw/zinc/30/02/05/599300205.db2.gz CPMYCZNOPDDHAC-HNNXBMFYSA-N -1 3 385.428 -0.470 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@H](N2CCOCC2)C1 ZINC000738037031 599300201 /nfs/dbraw/zinc/30/02/01/599300201.db2.gz CPMYCZNOPDDHAC-HNNXBMFYSA-N -1 3 385.428 -0.470 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738037034 599300386 /nfs/dbraw/zinc/30/03/86/599300386.db2.gz CPMYCZNOPDDHAC-OAHLLOKOSA-N -1 3 385.428 -0.470 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CC[C@@H](N2CCOCC2)C1 ZINC000738037034 599300383 /nfs/dbraw/zinc/30/03/83/599300383.db2.gz CPMYCZNOPDDHAC-OAHLLOKOSA-N -1 3 385.428 -0.470 20 0 GBADHM O=C(NC[C@@H](O)COCC1CC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738037425 598640628 /nfs/dbraw/zinc/64/06/28/598640628.db2.gz HRQQXFCWXQLINC-LLVKDONJSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(NC[C@@H](O)COCC1CC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738037425 598640627 /nfs/dbraw/zinc/64/06/27/598640627.db2.gz HRQQXFCWXQLINC-LLVKDONJSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(NC[C@H](O)COCC1CC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738037426 598640958 /nfs/dbraw/zinc/64/09/58/598640958.db2.gz HRQQXFCWXQLINC-NSHDSACASA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(NC[C@H](O)COCC1CC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738037426 598640956 /nfs/dbraw/zinc/64/09/56/598640956.db2.gz HRQQXFCWXQLINC-NSHDSACASA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@H](Cn2cncn2)C1 ZINC000738037636 599277137 /nfs/dbraw/zinc/27/71/37/599277137.db2.gz FBPLUQMFMUTVOW-AWEZNQCLSA-N -1 3 397.399 -0.884 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@H](Cn2cncn2)C1 ZINC000738037636 599277134 /nfs/dbraw/zinc/27/71/34/599277134.db2.gz FBPLUQMFMUTVOW-AWEZNQCLSA-N -1 3 397.399 -0.884 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000738037637 599276784 /nfs/dbraw/zinc/27/67/84/599276784.db2.gz FBPLUQMFMUTVOW-CQSZACIVSA-N -1 3 397.399 -0.884 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000738037637 599276781 /nfs/dbraw/zinc/27/67/81/599276781.db2.gz FBPLUQMFMUTVOW-CQSZACIVSA-N -1 3 397.399 -0.884 20 0 GBADHM O=C(CNC(=O)c1ccccn1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738037691 598845889 /nfs/dbraw/zinc/84/58/89/598845889.db2.gz HXLUCIXZBPIEIX-UHFFFAOYSA-N -1 3 393.411 -0.265 20 0 GBADHM O=C(CNC(=O)c1ccccn1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738037691 598845887 /nfs/dbraw/zinc/84/58/87/598845887.db2.gz HXLUCIXZBPIEIX-UHFFFAOYSA-N -1 3 393.411 -0.265 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2cccnn2)CC1 ZINC000738037697 598407215 /nfs/dbraw/zinc/40/72/15/598407215.db2.gz IGUSHIGRGAPFEE-UHFFFAOYSA-N -1 3 393.411 -0.265 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2cccnn2)CC1 ZINC000738037697 598407214 /nfs/dbraw/zinc/40/72/14/598407214.db2.gz IGUSHIGRGAPFEE-UHFFFAOYSA-N -1 3 393.411 -0.265 20 0 GBADHM O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738038344 599615171 /nfs/dbraw/zinc/61/51/71/599615171.db2.gz YPSVBIPTEXUGSR-CYBMUJFWSA-N -1 3 395.431 -0.300 20 0 GBADHM O=C(N[C@@H]1CCc2ncnn2C1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738038344 599615169 /nfs/dbraw/zinc/61/51/69/599615169.db2.gz YPSVBIPTEXUGSR-CYBMUJFWSA-N -1 3 395.431 -0.300 20 0 GBADHM O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000738038347 599615050 /nfs/dbraw/zinc/61/50/50/599615050.db2.gz YPSVBIPTEXUGSR-ZDUSSCGKSA-N -1 3 395.431 -0.300 20 0 GBADHM O=C(N[C@H]1CCc2ncnn2C1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000738038347 599615049 /nfs/dbraw/zinc/61/50/49/599615049.db2.gz YPSVBIPTEXUGSR-ZDUSSCGKSA-N -1 3 395.431 -0.300 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000738038516 598405542 /nfs/dbraw/zinc/40/55/42/598405542.db2.gz KCNPCTBRMCHCKH-AWEZNQCLSA-N -1 3 398.427 -0.387 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000738038516 598405541 /nfs/dbraw/zinc/40/55/41/598405541.db2.gz KCNPCTBRMCHCKH-AWEZNQCLSA-N -1 3 398.427 -0.387 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000738038517 598405524 /nfs/dbraw/zinc/40/55/24/598405524.db2.gz KCNPCTBRMCHCKH-CQSZACIVSA-N -1 3 398.427 -0.387 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000738038517 598405523 /nfs/dbraw/zinc/40/55/23/598405523.db2.gz KCNPCTBRMCHCKH-CQSZACIVSA-N -1 3 398.427 -0.387 20 0 GBADHM O=C(NC[C@@H](O)C1CCOCC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738039149 599516572 /nfs/dbraw/zinc/51/65/72/599516572.db2.gz LZOVCFHQSWFHJC-CYBMUJFWSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(NC[C@@H](O)C1CCOCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738039149 599516570 /nfs/dbraw/zinc/51/65/70/599516570.db2.gz LZOVCFHQSWFHJC-CYBMUJFWSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(NC[C@H](O)C1CCOCC1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000738039153 599516591 /nfs/dbraw/zinc/51/65/91/599516591.db2.gz LZOVCFHQSWFHJC-ZDUSSCGKSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(NC[C@H](O)C1CCOCC1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738039153 599516589 /nfs/dbraw/zinc/51/65/89/599516589.db2.gz LZOVCFHQSWFHJC-ZDUSSCGKSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCN(c2ncccn2)CC1 ZINC000738039232 598399301 /nfs/dbraw/zinc/39/93/01/598399301.db2.gz NIYMYXWBYAIXSI-UHFFFAOYSA-N -1 3 393.411 -0.265 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCN(c2ncccn2)CC1 ZINC000738039232 598399299 /nfs/dbraw/zinc/39/92/99/598399299.db2.gz NIYMYXWBYAIXSI-UHFFFAOYSA-N -1 3 393.411 -0.265 20 0 GBADHM O=C(CNC(=O)c1ccccn1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000738039287 598845871 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LPPWGSWGDYYUMS-LLVKDONJSA-N -1 3 379.446 -0.229 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN(S(C)(=O)=O)CC1 ZINC000819876971 606625698 /nfs/dbraw/zinc/62/56/98/606625698.db2.gz LPPWGSWGDYYUMS-NSHDSACASA-N -1 3 379.446 -0.229 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN(S(C)(=O)=O)CC1 ZINC000819876971 606625697 /nfs/dbraw/zinc/62/56/97/606625697.db2.gz LPPWGSWGDYYUMS-NSHDSACASA-N -1 3 379.446 -0.229 20 0 GBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(S(C)(=O)=O)CC1 ZINC000819877008 606625961 /nfs/dbraw/zinc/62/59/61/606625961.db2.gz MWIHGRQKYZIAJA-LLVKDONJSA-N -1 3 379.446 -0.229 20 0 GBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(S(C)(=O)=O)CC1 ZINC000819877008 606625959 /nfs/dbraw/zinc/62/59/59/606625959.db2.gz MWIHGRQKYZIAJA-LLVKDONJSA-N -1 3 379.446 -0.229 20 0 GBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N1CCN(S(C)(=O)=O)CC1 ZINC000819877009 606626007 /nfs/dbraw/zinc/62/60/07/606626007.db2.gz MWIHGRQKYZIAJA-NSHDSACASA-N -1 3 379.446 -0.229 20 0 GBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N1CCN(S(C)(=O)=O)CC1 ZINC000819877009 606626005 /nfs/dbraw/zinc/62/60/05/606626005.db2.gz MWIHGRQKYZIAJA-NSHDSACASA-N -1 3 379.446 -0.229 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000819877538 606063785 /nfs/dbraw/zinc/06/37/85/606063785.db2.gz XZIOJQZTTQCKJZ-GWCFXTLKSA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000819877538 606063780 /nfs/dbraw/zinc/06/37/80/606063780.db2.gz XZIOJQZTTQCKJZ-GWCFXTLKSA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000819877539 606063240 /nfs/dbraw/zinc/06/32/40/606063240.db2.gz XZIOJQZTTQCKJZ-GXFFZTMASA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000819877539 606063239 /nfs/dbraw/zinc/06/32/39/606063239.db2.gz XZIOJQZTTQCKJZ-GXFFZTMASA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000819877540 606063593 /nfs/dbraw/zinc/06/35/93/606063593.db2.gz XZIOJQZTTQCKJZ-MFKMUULPSA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000819877540 606063588 /nfs/dbraw/zinc/06/35/88/606063588.db2.gz XZIOJQZTTQCKJZ-MFKMUULPSA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000819877541 606064346 /nfs/dbraw/zinc/06/43/46/606064346.db2.gz XZIOJQZTTQCKJZ-ZWNOBZJWSA-N -1 3 379.446 -0.053 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000819877541 606064341 /nfs/dbraw/zinc/06/43/41/606064341.db2.gz XZIOJQZTTQCKJZ-ZWNOBZJWSA-N -1 3 379.446 -0.053 20 0 GBADHM CC(C)(C)OC(=O)N1CC([N-]S(=O)(=O)CCOCC2CC2)(C(N)=O)C1 ZINC000819878442 637989432 /nfs/dbraw/zinc/98/94/32/637989432.db2.gz HDEXKYDBHRGYOW-UHFFFAOYSA-N -1 3 377.463 -0.193 20 0 GBADHM CC(C)(C)C(=O)Cn1cc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)nn1 ZINC000819891568 607304306 /nfs/dbraw/zinc/30/43/06/607304306.db2.gz BCDJPZHGZLORID-UHFFFAOYSA-N -1 3 388.392 -0.291 20 0 GBADHM CC(C)(C)C(=O)Cn1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)nn1 ZINC000819891568 607304305 /nfs/dbraw/zinc/30/43/05/607304305.db2.gz BCDJPZHGZLORID-UHFFFAOYSA-N -1 3 388.392 -0.291 20 0 GBADHM CC(C)(C(N)=O)N1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819891605 606090675 /nfs/dbraw/zinc/09/06/75/606090675.db2.gz CZHGJTVKPKORSD-UHFFFAOYSA-N -1 3 386.460 -0.636 20 0 GBADHM CC(C)(C(N)=O)N1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819891605 606090674 /nfs/dbraw/zinc/09/06/74/606090674.db2.gz CZHGJTVKPKORSD-UHFFFAOYSA-N -1 3 386.460 -0.636 20 0 GBADHM CC(C)(C(N)=O)N1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819891640 606090397 /nfs/dbraw/zinc/09/03/97/606090397.db2.gz FOQPTQHZGWZVFK-UHFFFAOYSA-N -1 3 386.460 -0.636 20 0 GBADHM CC(C)(C(N)=O)N1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819891640 606090394 /nfs/dbraw/zinc/09/03/94/606090394.db2.gz FOQPTQHZGWZVFK-UHFFFAOYSA-N -1 3 386.460 -0.636 20 0 GBADHM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819891807 606336750 /nfs/dbraw/zinc/33/67/50/606336750.db2.gz HEVWTQAQQVPKCI-UHFFFAOYSA-N -1 3 379.446 -0.563 20 0 GBADHM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000819891807 606336749 /nfs/dbraw/zinc/33/67/49/606336749.db2.gz HEVWTQAQQVPKCI-UHFFFAOYSA-N -1 3 379.446 -0.563 20 0 GBADHM CC(C)(C(N)=O)N1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000819891904 945307615 /nfs/dbraw/zinc/30/76/15/945307615.db2.gz KSOVSFLWJHFBTN-UHFFFAOYSA-N -1 3 378.462 -0.252 20 0 GBADHM CC(C)(C(N)=O)N1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000819891904 945307609 /nfs/dbraw/zinc/30/76/09/945307609.db2.gz KSOVSFLWJHFBTN-UHFFFAOYSA-N -1 3 378.462 -0.252 20 0 GBADHM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000819891909 606201372 /nfs/dbraw/zinc/20/13/72/606201372.db2.gz LBUDJUWPEFGWHS-UHFFFAOYSA-N -1 3 397.436 -0.424 20 0 GBADHM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000819891909 606201370 /nfs/dbraw/zinc/20/13/70/606201370.db2.gz LBUDJUWPEFGWHS-UHFFFAOYSA-N -1 3 397.436 -0.424 20 0 GBADHM CC(C)(C(N)=O)N1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819892002 945308000 /nfs/dbraw/zinc/30/80/00/945308000.db2.gz PQNGNHKEYUQHAJ-AWEZNQCLSA-N -1 3 389.460 -0.512 20 0 GBADHM CC(C)(C(N)=O)N1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819892003 945308655 /nfs/dbraw/zinc/30/86/55/945308655.db2.gz PQNGNHKEYUQHAJ-CQSZACIVSA-N -1 3 389.460 -0.512 20 0 GBADHM CC(C)(C(N)=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000819892075 945307557 /nfs/dbraw/zinc/30/75/57/945307557.db2.gz SVQVKKYGHQLXDQ-HNNXBMFYSA-N -1 3 398.471 -0.147 20 0 GBADHM CC(C)(C(N)=O)N1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000819892075 945307543 /nfs/dbraw/zinc/30/75/43/945307543.db2.gz SVQVKKYGHQLXDQ-HNNXBMFYSA-N -1 3 398.471 -0.147 20 0 GBADHM CC(C)(C(N)=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000819892076 945307670 /nfs/dbraw/zinc/30/76/70/945307670.db2.gz SVQVKKYGHQLXDQ-OAHLLOKOSA-N -1 3 398.471 -0.147 20 0 GBADHM CC(C)(C(N)=O)N1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000819892076 945307661 /nfs/dbraw/zinc/30/76/61/945307661.db2.gz SVQVKKYGHQLXDQ-OAHLLOKOSA-N -1 3 398.471 -0.147 20 0 GBADHM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819892127 606337037 /nfs/dbraw/zinc/33/70/37/606337037.db2.gz VTLPLQGRDXBPEU-UHFFFAOYSA-N -1 3 379.446 -0.563 20 0 GBADHM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819892127 606337035 /nfs/dbraw/zinc/33/70/35/606337035.db2.gz VTLPLQGRDXBPEU-UHFFFAOYSA-N -1 3 379.446 -0.563 20 0 GBADHM CC(C)(C(N)=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000819892147 606337114 /nfs/dbraw/zinc/33/71/14/606337114.db2.gz WOXFEISMEWZPGC-UHFFFAOYSA-N -1 3 397.436 -0.424 20 0 GBADHM CC(C)(C(N)=O)N1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819892183 606336715 /nfs/dbraw/zinc/33/67/15/606336715.db2.gz 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CC(C)Oc1ccc(NC(=O)C(=O)NCC(=O)NC2CC2)cc1-c1nn[n-]n1 ZINC000820155679 607433924 /nfs/dbraw/zinc/43/39/24/607433924.db2.gz UXMYDZMYXXIGIB-UHFFFAOYSA-N -1 3 387.400 -0.013 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)NCC(=O)NC2CC2)cc1-c1nnn[n-]1 ZINC000820155679 607433923 /nfs/dbraw/zinc/43/39/23/607433923.db2.gz UXMYDZMYXXIGIB-UHFFFAOYSA-N -1 3 387.400 -0.013 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)cc1-c1nn[n-]n1 ZINC000820156003 607436649 /nfs/dbraw/zinc/43/66/49/607436649.db2.gz YTQVMIHPRAVAGZ-JTQLQIEISA-N -1 3 387.400 -0.074 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)cc1-c1nnn[n-]1 ZINC000820156003 607436648 /nfs/dbraw/zinc/43/66/48/607436648.db2.gz YTQVMIHPRAVAGZ-JTQLQIEISA-N -1 3 387.400 -0.074 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cc1-c1nn[n-]n1 ZINC000820156004 607436272 /nfs/dbraw/zinc/43/62/72/607436272.db2.gz YTQVMIHPRAVAGZ-SNVBAGLBSA-N -1 3 387.400 -0.074 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)cc1-c1nnn[n-]1 ZINC000820156004 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CC(C)n1nnnc1C[S@@](=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820219230 606468129 /nfs/dbraw/zinc/46/81/29/606468129.db2.gz DQMGAVCGHGYTOR-HHHXNRCGSA-N -1 3 389.445 -0.001 20 0 GBADHM CC(C)n1nnnc1C[S@](=O)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820219233 606468300 /nfs/dbraw/zinc/46/83/00/606468300.db2.gz DQMGAVCGHGYTOR-MHZLTWQESA-N -1 3 389.445 -0.001 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)CC(N)=O)cc1-c1nn[n-]n1 ZINC000820225086 607438034 /nfs/dbraw/zinc/43/80/34/607438034.db2.gz AIQMICKPAVOGHV-SECBINFHSA-N -1 3 375.389 -0.028 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)CC(N)=O)cc1-c1nnn[n-]1 ZINC000820225086 607438033 /nfs/dbraw/zinc/43/80/33/607438033.db2.gz AIQMICKPAVOGHV-SECBINFHSA-N -1 3 375.389 -0.028 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)CC(N)=O)cc1-c1nn[n-]n1 ZINC000820225087 607438046 /nfs/dbraw/zinc/43/80/46/607438046.db2.gz AIQMICKPAVOGHV-VIFPVBQESA-N -1 3 375.389 -0.028 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)CC(N)=O)cc1-c1nnn[n-]1 ZINC000820225087 607438044 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375.389 -0.028 20 0 GBADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)CC(N)=O ZINC000820225998 606612378 /nfs/dbraw/zinc/61/23/78/606612378.db2.gz RLEYNOUEYYDZBT-SECBINFHSA-N -1 3 375.389 -0.028 20 0 GBADHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](C)CC(N)=O ZINC000820225999 606612355 /nfs/dbraw/zinc/61/23/55/606612355.db2.gz RLEYNOUEYYDZBT-VIFPVBQESA-N -1 3 375.389 -0.028 20 0 GBADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](C)CC(N)=O ZINC000820225999 606612354 /nfs/dbraw/zinc/61/23/54/606612354.db2.gz RLEYNOUEYYDZBT-VIFPVBQESA-N -1 3 375.389 -0.028 20 0 GBADHM C[C@H](CCO)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820239966 607359866 /nfs/dbraw/zinc/35/98/66/607359866.db2.gz BCCDLQUROOKHEV-GHMZBOCLSA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@H](CCO)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820239966 607359865 /nfs/dbraw/zinc/35/98/65/607359865.db2.gz BCCDLQUROOKHEV-GHMZBOCLSA-N -1 3 382.446 -0.332 20 0 GBADHM 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ZINC000820239969 607359464 /nfs/dbraw/zinc/35/94/64/607359464.db2.gz BCCDLQUROOKHEV-WDEREUQCSA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@H](CCCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820239972 607060266 /nfs/dbraw/zinc/06/02/66/607060266.db2.gz BCLPWOJSVGEVRW-GHMZBOCLSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@H](CCCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820239972 607060264 /nfs/dbraw/zinc/06/02/64/607060264.db2.gz BCLPWOJSVGEVRW-GHMZBOCLSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@H](CCCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820239973 607060681 /nfs/dbraw/zinc/06/06/81/607060681.db2.gz BCLPWOJSVGEVRW-MNOVXSKESA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@H](CCCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820239973 607060678 /nfs/dbraw/zinc/06/06/78/607060678.db2.gz BCLPWOJSVGEVRW-MNOVXSKESA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](CCCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820239974 607060357 /nfs/dbraw/zinc/06/03/57/607060357.db2.gz BCLPWOJSVGEVRW-QWRGUYRKSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](CCCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820239974 607060356 /nfs/dbraw/zinc/06/03/56/607060356.db2.gz BCLPWOJSVGEVRW-QWRGUYRKSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CCCO ZINC000820239975 607060644 /nfs/dbraw/zinc/06/06/44/607060644.db2.gz BCLPWOJSVGEVRW-WDEREUQCSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CCCO ZINC000820239975 607060643 /nfs/dbraw/zinc/06/06/43/607060643.db2.gz BCLPWOJSVGEVRW-WDEREUQCSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@H](CCCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820241121 607060252 /nfs/dbraw/zinc/06/02/52/607060252.db2.gz DPOGCIVCKXYTSL-GHMZBOCLSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@H](CCCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820241121 607060250 /nfs/dbraw/zinc/06/02/50/607060250.db2.gz DPOGCIVCKXYTSL-GHMZBOCLSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@H](CCCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820241122 607060574 /nfs/dbraw/zinc/06/05/74/607060574.db2.gz DPOGCIVCKXYTSL-MNOVXSKESA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@H](CCCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820241122 607060572 /nfs/dbraw/zinc/06/05/72/607060572.db2.gz DPOGCIVCKXYTSL-MNOVXSKESA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](CCCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820241123 607060699 /nfs/dbraw/zinc/06/06/99/607060699.db2.gz DPOGCIVCKXYTSL-QWRGUYRKSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](CCCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820241123 607060697 /nfs/dbraw/zinc/06/06/97/607060697.db2.gz DPOGCIVCKXYTSL-QWRGUYRKSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)CCCO ZINC000820241124 607060342 /nfs/dbraw/zinc/06/03/42/607060342.db2.gz DPOGCIVCKXYTSL-WDEREUQCSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)CCCO ZINC000820241124 607060341 /nfs/dbraw/zinc/06/03/41/607060341.db2.gz DPOGCIVCKXYTSL-WDEREUQCSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@H](CCO)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820241860 607359427 /nfs/dbraw/zinc/35/94/27/607359427.db2.gz IZCRUZSZCAJABY-GHMZBOCLSA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@H](CCO)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820241860 607359425 /nfs/dbraw/zinc/35/94/25/607359425.db2.gz IZCRUZSZCAJABY-GHMZBOCLSA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@H](CCO)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820241861 607359339 /nfs/dbraw/zinc/35/93/39/607359339.db2.gz IZCRUZSZCAJABY-MNOVXSKESA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@H](CCO)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820241861 607359337 /nfs/dbraw/zinc/35/93/37/607359337.db2.gz IZCRUZSZCAJABY-MNOVXSKESA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@@H](CCO)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820241862 607359715 /nfs/dbraw/zinc/35/97/15/607359715.db2.gz IZCRUZSZCAJABY-QWRGUYRKSA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@@H](CCO)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820241862 607359713 /nfs/dbraw/zinc/35/97/13/607359713.db2.gz IZCRUZSZCAJABY-QWRGUYRKSA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)CCO ZINC000820241863 607359872 /nfs/dbraw/zinc/35/98/72/607359872.db2.gz IZCRUZSZCAJABY-WDEREUQCSA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](C)CCO ZINC000820241863 607359870 /nfs/dbraw/zinc/35/98/70/607359870.db2.gz IZCRUZSZCAJABY-WDEREUQCSA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820247850 606797543 /nfs/dbraw/zinc/79/75/43/606797543.db2.gz BFJXCXUGLLWABC-JTQLQIEISA-N -1 3 382.450 -0.204 20 0 GBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820247850 606797541 /nfs/dbraw/zinc/79/75/41/606797541.db2.gz BFJXCXUGLLWABC-JTQLQIEISA-N -1 3 382.450 -0.204 20 0 GBADHM C[C@H](CCS(C)(=O)=O)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000820247852 606798238 /nfs/dbraw/zinc/79/82/38/606798238.db2.gz BFJXCXUGLLWABC-SNVBAGLBSA-N -1 3 382.450 -0.204 20 0 GBADHM C[C@H](CCS(C)(=O)=O)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000820247852 606798237 /nfs/dbraw/zinc/79/82/37/606798237.db2.gz BFJXCXUGLLWABC-SNVBAGLBSA-N -1 3 382.450 -0.204 20 0 GBADHM C[C@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820248418 606816679 /nfs/dbraw/zinc/81/66/79/606816679.db2.gz HCMHOGIESOLRSH-MRVPVSSYSA-N -1 3 384.393 -0.116 20 0 GBADHM C[C@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820248418 606816677 /nfs/dbraw/zinc/81/66/77/606816677.db2.gz HCMHOGIESOLRSH-MRVPVSSYSA-N -1 3 384.393 -0.116 20 0 GBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820248419 606816739 /nfs/dbraw/zinc/81/67/39/606816739.db2.gz HCMHOGIESOLRSH-QMMMGPOBSA-N -1 3 384.393 -0.116 20 0 GBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820248419 606816737 /nfs/dbraw/zinc/81/67/37/606816737.db2.gz HCMHOGIESOLRSH-QMMMGPOBSA-N -1 3 384.393 -0.116 20 0 GBADHM C[C@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820249005 607344633 /nfs/dbraw/zinc/34/46/33/607344633.db2.gz QWGDAFXVXCUYDC-MRVPVSSYSA-N -1 3 384.393 -0.116 20 0 GBADHM C[C@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820249005 607344631 /nfs/dbraw/zinc/34/46/31/607344631.db2.gz QWGDAFXVXCUYDC-MRVPVSSYSA-N -1 3 384.393 -0.116 20 0 GBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820249007 607344243 /nfs/dbraw/zinc/34/42/43/607344243.db2.gz QWGDAFXVXCUYDC-QMMMGPOBSA-N -1 3 384.393 -0.116 20 0 GBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820249007 607344241 /nfs/dbraw/zinc/34/42/41/607344241.db2.gz QWGDAFXVXCUYDC-QMMMGPOBSA-N -1 3 384.393 -0.116 20 0 GBADHM C[C@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820249361 606816892 /nfs/dbraw/zinc/81/68/92/606816892.db2.gz VKMCSEHQNCVGBX-MRVPVSSYSA-N -1 3 384.393 -0.116 20 0 GBADHM C[C@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820249361 606816890 /nfs/dbraw/zinc/81/68/90/606816890.db2.gz VKMCSEHQNCVGBX-MRVPVSSYSA-N -1 3 384.393 -0.116 20 0 GBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820249362 606816704 /nfs/dbraw/zinc/81/67/04/606816704.db2.gz VKMCSEHQNCVGBX-QMMMGPOBSA-N -1 3 384.393 -0.116 20 0 GBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820249362 606816702 /nfs/dbraw/zinc/81/67/02/606816702.db2.gz VKMCSEHQNCVGBX-QMMMGPOBSA-N -1 3 384.393 -0.116 20 0 GBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820249716 606804768 /nfs/dbraw/zinc/80/47/68/606804768.db2.gz YVXOAMRLCVZHMB-JTQLQIEISA-N -1 3 380.430 -0.464 20 0 GBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820249716 606804766 /nfs/dbraw/zinc/80/47/66/606804766.db2.gz YVXOAMRLCVZHMB-JTQLQIEISA-N -1 3 380.430 -0.464 20 0 GBADHM C[C@H](CCS(C)(=O)=O)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820249718 606804621 /nfs/dbraw/zinc/80/46/21/606804621.db2.gz YVXOAMRLCVZHMB-SNVBAGLBSA-N -1 3 380.430 -0.464 20 0 GBADHM C[C@H](CCS(C)(=O)=O)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820249718 606804618 /nfs/dbraw/zinc/80/46/18/606804618.db2.gz YVXOAMRLCVZHMB-SNVBAGLBSA-N -1 3 380.430 -0.464 20 0 GBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820249741 606801252 /nfs/dbraw/zinc/80/12/52/606801252.db2.gz ZADAAAGSJQYZNG-JTQLQIEISA-N -1 3 382.450 -0.204 20 0 GBADHM C[C@@H](CCS(C)(=O)=O)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820249741 606801250 /nfs/dbraw/zinc/80/12/50/606801250.db2.gz ZADAAAGSJQYZNG-JTQLQIEISA-N -1 3 382.450 -0.204 20 0 GBADHM C[C@H](CCS(C)(=O)=O)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000820249742 606801215 /nfs/dbraw/zinc/80/12/15/606801215.db2.gz ZADAAAGSJQYZNG-SNVBAGLBSA-N -1 3 382.450 -0.204 20 0 GBADHM C[C@H](CCS(C)(=O)=O)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000820249742 606801213 /nfs/dbraw/zinc/80/12/13/606801213.db2.gz ZADAAAGSJQYZNG-SNVBAGLBSA-N -1 3 382.450 -0.204 20 0 GBADHM C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820260087 606394713 /nfs/dbraw/zinc/39/47/13/606394713.db2.gz FNTVHPJARFZWQK-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820260087 606394711 /nfs/dbraw/zinc/39/47/11/606394711.db2.gz FNTVHPJARFZWQK-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820260088 606394860 /nfs/dbraw/zinc/39/48/60/606394860.db2.gz FNTVHPJARFZWQK-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820260088 606394859 /nfs/dbraw/zinc/39/48/59/606394859.db2.gz FNTVHPJARFZWQK-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)N1CCOCC1 ZINC000820261356 607333071 /nfs/dbraw/zinc/33/30/71/607333071.db2.gz NJIFLEPDMJUNEX-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)N1CCOCC1 ZINC000820261356 607333070 /nfs/dbraw/zinc/33/30/70/607333070.db2.gz NJIFLEPDMJUNEX-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F)N1CCOCC1 ZINC000820261357 607333159 /nfs/dbraw/zinc/33/31/59/607333159.db2.gz NJIFLEPDMJUNEX-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F)N1CCOCC1 ZINC000820261357 607333158 /nfs/dbraw/zinc/33/31/58/607333158.db2.gz NJIFLEPDMJUNEX-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820261742 607218724 /nfs/dbraw/zinc/21/87/24/607218724.db2.gz PNPMCAOSVGZXGU-AWEZNQCLSA-N -1 3 396.459 -0.215 20 0 GBADHM C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820261743 607218916 /nfs/dbraw/zinc/21/89/16/607218916.db2.gz PNPMCAOSVGZXGU-CQSZACIVSA-N -1 3 396.459 -0.215 20 0 GBADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000820262273 606394539 /nfs/dbraw/zinc/39/45/39/606394539.db2.gz UQCOJIYZTBCMJL-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)N1CCOCC1 ZINC000820262273 606394537 /nfs/dbraw/zinc/39/45/37/606394537.db2.gz UQCOJIYZTBCMJL-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)N1CCOCC1 ZINC000820262274 606394799 /nfs/dbraw/zinc/39/47/99/606394799.db2.gz UQCOJIYZTBCMJL-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)N1CCOCC1 ZINC000820262274 606394798 /nfs/dbraw/zinc/39/47/98/606394798.db2.gz UQCOJIYZTBCMJL-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820262510 607333088 /nfs/dbraw/zinc/33/30/88/607333088.db2.gz XRQXFWOLMHZCRP-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820262510 607333087 /nfs/dbraw/zinc/33/30/87/607333087.db2.gz XRQXFWOLMHZCRP-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820262511 607332986 /nfs/dbraw/zinc/33/29/86/607332986.db2.gz XRQXFWOLMHZCRP-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CN1CCOCC1)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820262511 607332985 /nfs/dbraw/zinc/33/29/85/607332985.db2.gz XRQXFWOLMHZCRP-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)CN1CCN(C)CC1 ZINC000820276207 599353770 /nfs/dbraw/zinc/35/37/70/599353770.db2.gz URGHADNWTTWENF-GFCCVEGCSA-N -1 3 380.478 -0.577 20 0 GBADHM C[C@@H](CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)CN1CCN(C)CC1 ZINC000820276208 599353711 /nfs/dbraw/zinc/35/37/11/599353711.db2.gz URGHADNWTTWENF-LBPRGKRZSA-N -1 3 380.478 -0.577 20 0 GBADHM C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)[C@H](C)CO ZINC000820281827 606611720 /nfs/dbraw/zinc/61/17/20/606611720.db2.gz YLIBVVCOYDQEMJ-GHMZBOCLSA-N 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C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)CO ZINC000820437812 607361431 /nfs/dbraw/zinc/36/14/31/607361431.db2.gz DDZYTLTYXOJHHZ-JTQLQIEISA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)CO ZINC000820437813 607361404 /nfs/dbraw/zinc/36/14/04/607361404.db2.gz DDZYTLTYXOJHHZ-SNVBAGLBSA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)CO ZINC000820437813 607361402 /nfs/dbraw/zinc/36/14/02/607361402.db2.gz DDZYTLTYXOJHHZ-SNVBAGLBSA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@](C)(O)C1 ZINC000820437838 607053964 /nfs/dbraw/zinc/05/39/64/607053964.db2.gz DOMKXBHYKCHNQC-BMIGLBTASA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@](C)(O)C1 ZINC000820437838 607053963 /nfs/dbraw/zinc/05/39/63/607053963.db2.gz DOMKXBHYKCHNQC-BMIGLBTASA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@](C)(O)C1 ZINC000820437839 607054171 /nfs/dbraw/zinc/05/41/71/607054171.db2.gz DOMKXBHYKCHNQC-BONVTDFDSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@](C)(O)C1 ZINC000820437839 607054169 /nfs/dbraw/zinc/05/41/69/607054169.db2.gz DOMKXBHYKCHNQC-BONVTDFDSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@](C)(O)C1 ZINC000820437840 607053979 /nfs/dbraw/zinc/05/39/79/607053979.db2.gz DOMKXBHYKCHNQC-MEBBXXQBSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@](C)(O)C1 ZINC000820437840 607053978 /nfs/dbraw/zinc/05/39/78/607053978.db2.gz DOMKXBHYKCHNQC-MEBBXXQBSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@](C)(O)C1 ZINC000820437841 607054070 /nfs/dbraw/zinc/05/40/70/607054070.db2.gz DOMKXBHYKCHNQC-ZUZCIYMTSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@](C)(O)C1 ZINC000820437841 607054068 /nfs/dbraw/zinc/05/40/68/607054068.db2.gz DOMKXBHYKCHNQC-ZUZCIYMTSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1cn[nH]c1 ZINC000820437970 607032947 /nfs/dbraw/zinc/03/29/47/607032947.db2.gz FIUMVNHDOPQVHN-JTQLQIEISA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1cn[nH]c1 ZINC000820437970 607032946 /nfs/dbraw/zinc/03/29/46/607032946.db2.gz FIUMVNHDOPQVHN-JTQLQIEISA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1cn[nH]c1 ZINC000820437971 607033033 /nfs/dbraw/zinc/03/30/33/607033033.db2.gz FIUMVNHDOPQVHN-SNVBAGLBSA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1cn[nH]c1 ZINC000820437971 607033032 /nfs/dbraw/zinc/03/30/32/607033032.db2.gz FIUMVNHDOPQVHN-SNVBAGLBSA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)C(=O)N(C)C ZINC000820438018 607053933 /nfs/dbraw/zinc/05/39/33/607053933.db2.gz GIABUNYDQKFYKK-NXEZZACHSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)C(=O)N(C)C ZINC000820438018 607053932 /nfs/dbraw/zinc/05/39/32/607053932.db2.gz GIABUNYDQKFYKK-NXEZZACHSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000820438019 607027354 /nfs/dbraw/zinc/02/73/54/607027354.db2.gz GIABUNYDQKFYKK-UWVGGRQHSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000820438019 607027352 /nfs/dbraw/zinc/02/73/52/607027352.db2.gz GIABUNYDQKFYKK-UWVGGRQHSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C ZINC000820438020 607054096 /nfs/dbraw/zinc/05/40/96/607054096.db2.gz GIABUNYDQKFYKK-VHSXEESVSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C ZINC000820438020 607054095 /nfs/dbraw/zinc/05/40/95/607054095.db2.gz GIABUNYDQKFYKK-VHSXEESVSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000820438021 607027092 /nfs/dbraw/zinc/02/70/92/607027092.db2.gz GIABUNYDQKFYKK-ZJUUUORDSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000820438021 607027091 /nfs/dbraw/zinc/02/70/91/607027091.db2.gz GIABUNYDQKFYKK-ZJUUUORDSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCOCC1 ZINC000820438052 607016663 /nfs/dbraw/zinc/01/66/63/607016663.db2.gz HCXLUKKQSXORIM-LLVKDONJSA-N -1 3 380.430 -0.218 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCOCC1 ZINC000820438052 607016662 /nfs/dbraw/zinc/01/66/62/607016662.db2.gz HCXLUKKQSXORIM-LLVKDONJSA-N -1 3 380.430 -0.218 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCCOCC1 ZINC000820438053 607016455 /nfs/dbraw/zinc/01/64/55/607016455.db2.gz HCXLUKKQSXORIM-NSHDSACASA-N -1 3 380.430 -0.218 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCCOCC1 ZINC000820438053 607016453 /nfs/dbraw/zinc/01/64/53/607016453.db2.gz HCXLUKKQSXORIM-NSHDSACASA-N -1 3 380.430 -0.218 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCOC1 ZINC000820438058 607022622 /nfs/dbraw/zinc/02/26/22/607022622.db2.gz HHFGSXRDUKWCQT-CMPLNLGQSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCOC1 ZINC000820438058 607022621 /nfs/dbraw/zinc/02/26/21/607022621.db2.gz HHFGSXRDUKWCQT-CMPLNLGQSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCOC1 ZINC000820438059 607022390 /nfs/dbraw/zinc/02/23/90/607022390.db2.gz HHFGSXRDUKWCQT-JQWIXIFHSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCOC1 ZINC000820438059 607022388 /nfs/dbraw/zinc/02/23/88/607022388.db2.gz HHFGSXRDUKWCQT-JQWIXIFHSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCOC1 ZINC000820438060 607022356 /nfs/dbraw/zinc/02/23/56/607022356.db2.gz HHFGSXRDUKWCQT-PWSUYJOCSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCOC1 ZINC000820438060 607022354 /nfs/dbraw/zinc/02/23/54/607022354.db2.gz HHFGSXRDUKWCQT-PWSUYJOCSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCOC1 ZINC000820438061 607022739 /nfs/dbraw/zinc/02/27/39/607022739.db2.gz HHFGSXRDUKWCQT-ZYHUDNBSSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCOC1 ZINC000820438061 607022737 /nfs/dbraw/zinc/02/27/37/607022737.db2.gz HHFGSXRDUKWCQT-ZYHUDNBSSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(C)CC1 ZINC000820438068 606974254 /nfs/dbraw/zinc/97/42/54/606974254.db2.gz HOZFWGBEFOHSIS-LLVKDONJSA-N -1 3 379.446 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCN(C)CC1 ZINC000820438068 606974251 /nfs/dbraw/zinc/97/42/51/606974251.db2.gz HOZFWGBEFOHSIS-LLVKDONJSA-N -1 3 379.446 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN(C)CC1 ZINC000820438069 606974296 /nfs/dbraw/zinc/97/42/96/606974296.db2.gz HOZFWGBEFOHSIS-NSHDSACASA-N -1 3 379.446 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCN(C)CC1 ZINC000820438069 606974293 /nfs/dbraw/zinc/97/42/93/606974293.db2.gz HOZFWGBEFOHSIS-NSHDSACASA-N -1 3 379.446 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(O)CCC1 ZINC000820438078 607041494 /nfs/dbraw/zinc/04/14/94/607041494.db2.gz HZAMSKSHYNSZAX-JTQLQIEISA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(O)CCC1 ZINC000820438078 607041492 /nfs/dbraw/zinc/04/14/92/607041492.db2.gz HZAMSKSHYNSZAX-JTQLQIEISA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(O)CCC1 ZINC000820438079 607041259 /nfs/dbraw/zinc/04/12/59/607041259.db2.gz HZAMSKSHYNSZAX-SNVBAGLBSA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(O)CCC1 ZINC000820438079 607041258 /nfs/dbraw/zinc/04/12/58/607041258.db2.gz HZAMSKSHYNSZAX-SNVBAGLBSA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C)COC1 ZINC000820438150 607027317 /nfs/dbraw/zinc/02/73/17/607027317.db2.gz JKOFBNFBAJMVPD-JTQLQIEISA-N -1 3 380.430 -0.314 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C)COC1 ZINC000820438150 607027316 /nfs/dbraw/zinc/02/73/16/607027316.db2.gz JKOFBNFBAJMVPD-JTQLQIEISA-N -1 3 380.430 -0.314 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C)COC1 ZINC000820438151 607027416 /nfs/dbraw/zinc/02/74/16/607027416.db2.gz JKOFBNFBAJMVPD-SNVBAGLBSA-N -1 3 380.430 -0.314 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C)COC1 ZINC000820438151 607027415 /nfs/dbraw/zinc/02/74/15/607027415.db2.gz JKOFBNFBAJMVPD-SNVBAGLBSA-N -1 3 380.430 -0.314 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(CO)CC1 ZINC000820438156 945448957 /nfs/dbraw/zinc/44/89/57/945448957.db2.gz JNLJKQNYBKWONK-JTQLQIEISA-N -1 3 380.430 -0.578 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(CO)CC1 ZINC000820438156 945448952 /nfs/dbraw/zinc/44/89/52/945448952.db2.gz JNLJKQNYBKWONK-JTQLQIEISA-N -1 3 380.430 -0.578 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(CO)CC1 ZINC000820438157 945448862 /nfs/dbraw/zinc/44/88/62/945448862.db2.gz JNLJKQNYBKWONK-SNVBAGLBSA-N -1 3 380.430 -0.578 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(CO)CC1 ZINC000820438157 945448855 /nfs/dbraw/zinc/44/88/55/945448855.db2.gz JNLJKQNYBKWONK-SNVBAGLBSA-N -1 3 380.430 -0.578 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000820438164 606998203 /nfs/dbraw/zinc/99/82/03/606998203.db2.gz JQIZFRWKLKORGJ-CYZMBNFOSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000820438164 606998202 /nfs/dbraw/zinc/99/82/02/606998202.db2.gz JQIZFRWKLKORGJ-CYZMBNFOSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000820438165 606998289 /nfs/dbraw/zinc/99/82/89/606998289.db2.gz JQIZFRWKLKORGJ-DRZSPHRISA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000820438165 606998287 /nfs/dbraw/zinc/99/82/87/606998287.db2.gz JQIZFRWKLKORGJ-DRZSPHRISA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000820438166 606998121 /nfs/dbraw/zinc/99/81/21/606998121.db2.gz JQIZFRWKLKORGJ-UHTWSYAYSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000820438166 606998120 /nfs/dbraw/zinc/99/81/20/606998120.db2.gz JQIZFRWKLKORGJ-UHTWSYAYSA-N -1 3 394.457 -0.047 20 0 GBADHM 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CC(C)N(CC(N)=O)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820438551 606981707 /nfs/dbraw/zinc/98/17/07/606981707.db2.gz RTXQLCFDHLQYLZ-SNVBAGLBSA-N -1 3 395.445 -0.744 20 0 GBADHM CC(C)N(CC(N)=O)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820438551 606981706 /nfs/dbraw/zinc/98/17/06/606981706.db2.gz RTXQLCFDHLQYLZ-SNVBAGLBSA-N -1 3 395.445 -0.744 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)(O)CC1 ZINC000820438608 945448441 /nfs/dbraw/zinc/44/84/41/945448441.db2.gz SVYZKEZELCXOFR-LLVKDONJSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(C)(O)CC1 ZINC000820438608 945448434 /nfs/dbraw/zinc/44/84/34/945448434.db2.gz SVYZKEZELCXOFR-LLVKDONJSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(C)(O)CC1 ZINC000820438609 945449400 /nfs/dbraw/zinc/44/94/00/945449400.db2.gz SVYZKEZELCXOFR-NSHDSACASA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(C)(O)CC1 ZINC000820438609 945449396 /nfs/dbraw/zinc/44/93/96/945449396.db2.gz SVYZKEZELCXOFR-NSHDSACASA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1cn[nH]c1 ZINC000820438626 607052507 /nfs/dbraw/zinc/05/25/07/607052507.db2.gz TWFQCPDDOZSTBY-SECBINFHSA-N -1 3 376.402 -0.080 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)c1cn[nH]c1 ZINC000820438626 607052504 /nfs/dbraw/zinc/05/25/04/607052504.db2.gz TWFQCPDDOZSTBY-SECBINFHSA-N -1 3 376.402 -0.080 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1cn[nH]c1 ZINC000820438627 607052140 /nfs/dbraw/zinc/05/21/40/607052140.db2.gz TWFQCPDDOZSTBY-VIFPVBQESA-N -1 3 376.402 -0.080 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)c1cn[nH]c1 ZINC000820438627 607052139 /nfs/dbraw/zinc/05/21/39/607052139.db2.gz TWFQCPDDOZSTBY-VIFPVBQESA-N -1 3 376.402 -0.080 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)C(N)=O ZINC000820438646 606998340 /nfs/dbraw/zinc/99/83/40/606998340.db2.gz UBCHQZSYXUCEKO-SECBINFHSA-N -1 3 395.445 -0.839 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)C(N)=O ZINC000820438646 606998338 /nfs/dbraw/zinc/99/83/38/606998338.db2.gz UBCHQZSYXUCEKO-SECBINFHSA-N -1 3 395.445 -0.839 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(C)(C)C(N)=O ZINC000820438647 606998106 /nfs/dbraw/zinc/99/81/06/606998106.db2.gz UBCHQZSYXUCEKO-VIFPVBQESA-N -1 3 395.445 -0.839 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(C)(C)C(N)=O ZINC000820438647 606998104 /nfs/dbraw/zinc/99/81/04/606998104.db2.gz UBCHQZSYXUCEKO-VIFPVBQESA-N -1 3 395.445 -0.839 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1cc[nH]n1 ZINC000820438654 607026055 /nfs/dbraw/zinc/02/60/55/607026055.db2.gz UDQVEVTWCTXRKT-JTQLQIEISA-N -1 3 390.429 -0.085 20 0 GBADHM 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C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOC[C@H]1C ZINC000820438677 606993484 /nfs/dbraw/zinc/99/34/84/606993484.db2.gz UQTMGRFQOLGLSN-MNOVXSKESA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOC[C@H]1C ZINC000820438677 606993482 /nfs/dbraw/zinc/99/34/82/606993482.db2.gz UQTMGRFQOLGLSN-MNOVXSKESA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOC[C@@H]1C ZINC000820438678 606993335 /nfs/dbraw/zinc/99/33/35/606993335.db2.gz UQTMGRFQOLGLSN-QWRGUYRKSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOC[C@@H]1C ZINC000820438678 606993332 /nfs/dbraw/zinc/99/33/32/606993332.db2.gz UQTMGRFQOLGLSN-QWRGUYRKSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOC[C@@H]1C ZINC000820438679 606993470 /nfs/dbraw/zinc/99/34/70/606993470.db2.gz UQTMGRFQOLGLSN-WDEREUQCSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCOC[C@@H]1C 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WJMPMNKSIAIRER-NSHDSACASA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H]1CCOC1 ZINC000820438778 607022377 /nfs/dbraw/zinc/02/23/77/607022377.db2.gz WQFAECSCJOVFER-CMPLNLGQSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@@H]1CCOC1 ZINC000820438778 607022375 /nfs/dbraw/zinc/02/23/75/607022375.db2.gz WQFAECSCJOVFER-CMPLNLGQSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@H]1CCOC1 ZINC000820438779 607022540 /nfs/dbraw/zinc/02/25/40/607022540.db2.gz WQFAECSCJOVFER-JQWIXIFHSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@H]1CCOC1 ZINC000820438779 607022538 /nfs/dbraw/zinc/02/25/38/607022538.db2.gz WQFAECSCJOVFER-JQWIXIFHSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@H]1CCOC1 ZINC000820438780 607022261 /nfs/dbraw/zinc/02/22/61/607022261.db2.gz WQFAECSCJOVFER-PWSUYJOCSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@H]1CCOC1 ZINC000820438780 607022259 /nfs/dbraw/zinc/02/22/59/607022259.db2.gz WQFAECSCJOVFER-PWSUYJOCSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)[C@@H]1CCOC1 ZINC000820438781 607022607 /nfs/dbraw/zinc/02/26/07/607022607.db2.gz WQFAECSCJOVFER-ZYHUDNBSSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)[C@@H]1CCOC1 ZINC000820438781 607022606 /nfs/dbraw/zinc/02/26/06/607022606.db2.gz WQFAECSCJOVFER-ZYHUDNBSSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS(=O)CC1 ZINC000820438814 607022665 /nfs/dbraw/zinc/02/26/65/607022665.db2.gz WXWQUWFDDLCRLH-JTQLQIEISA-N -1 3 398.470 -0.876 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCS(=O)CC1 ZINC000820438814 607022664 /nfs/dbraw/zinc/02/26/64/607022664.db2.gz WXWQUWFDDLCRLH-JTQLQIEISA-N -1 3 398.470 -0.876 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCS(=O)CC1 ZINC000820438815 607022625 /nfs/dbraw/zinc/02/26/25/607022625.db2.gz WXWQUWFDDLCRLH-SNVBAGLBSA-N -1 3 398.470 -0.876 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCS(=O)CC1 ZINC000820438815 607022624 /nfs/dbraw/zinc/02/26/24/607022624.db2.gz WXWQUWFDDLCRLH-SNVBAGLBSA-N -1 3 398.470 -0.876 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ncc[nH]1 ZINC000820438830 607024278 /nfs/dbraw/zinc/02/42/78/607024278.db2.gz XNRUGZMMUJLQER-JTQLQIEISA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ncc[nH]1 ZINC000820438830 607024276 /nfs/dbraw/zinc/02/42/76/607024276.db2.gz XNRUGZMMUJLQER-JTQLQIEISA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)Cc1ncc[nH]1 ZINC000820438831 607024456 /nfs/dbraw/zinc/02/44/56/607024456.db2.gz XNRUGZMMUJLQER-SNVBAGLBSA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)Cc1ncc[nH]1 ZINC000820438831 607024455 /nfs/dbraw/zinc/02/44/55/607024455.db2.gz XNRUGZMMUJLQER-SNVBAGLBSA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000820438856 607052059 /nfs/dbraw/zinc/05/20/59/607052059.db2.gz YCEQGMRJLAMJMV-RTXFEEFZSA-N -1 3 392.441 -0.077 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000820438856 607052058 /nfs/dbraw/zinc/05/20/58/607052058.db2.gz YCEQGMRJLAMJMV-RTXFEEFZSA-N -1 3 392.441 -0.077 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000820438857 607052243 /nfs/dbraw/zinc/05/22/43/607052243.db2.gz YCEQGMRJLAMJMV-WCFLWFBJSA-N -1 3 392.441 -0.077 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000820438857 607052241 /nfs/dbraw/zinc/05/22/41/607052241.db2.gz YCEQGMRJLAMJMV-WCFLWFBJSA-N -1 3 392.441 -0.077 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCN(C)[C@H](C)C1 ZINC000820443893 607156239 /nfs/dbraw/zinc/15/62/39/607156239.db2.gz ANOYFZZPHYRYHE-NEPJUHHUSA-N -1 3 393.473 -0.304 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCN(C)[C@@H](C)C1 ZINC000820443894 607156375 /nfs/dbraw/zinc/15/63/75/607156375.db2.gz ANOYFZZPHYRYHE-NWDGAFQWSA-N -1 3 393.473 -0.304 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCN(C)[C@@H](C)C1 ZINC000820443895 607156111 /nfs/dbraw/zinc/15/61/11/607156111.db2.gz ANOYFZZPHYRYHE-RYUDHWBXSA-N -1 3 393.473 -0.304 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCN(C)[C@H](C)C1 ZINC000820443896 607156336 /nfs/dbraw/zinc/15/63/36/607156336.db2.gz ANOYFZZPHYRYHE-VXGBXAGGSA-N -1 3 393.473 -0.304 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CC(C)(C)O ZINC000820443897 607052120 /nfs/dbraw/zinc/05/21/20/607052120.db2.gz ANPVWLZTSRRZGM-JTQLQIEISA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CC(C)(C)O ZINC000820443897 607052117 /nfs/dbraw/zinc/05/21/17/607052117.db2.gz ANPVWLZTSRRZGM-JTQLQIEISA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CC(C)(C)O ZINC000820443898 607052030 /nfs/dbraw/zinc/05/20/30/607052030.db2.gz ANPVWLZTSRRZGM-SNVBAGLBSA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CC(C)(C)O ZINC000820443898 607052027 /nfs/dbraw/zinc/05/20/27/607052027.db2.gz ANPVWLZTSRRZGM-SNVBAGLBSA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCNC(N)=O ZINC000820443919 607089620 /nfs/dbraw/zinc/08/96/20/607089620.db2.gz BABZDZPGBPGQNU-SECBINFHSA-N -1 3 397.417 -0.865 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCNC(N)=O ZINC000820443919 607089619 /nfs/dbraw/zinc/08/96/19/607089619.db2.gz BABZDZPGBPGQNU-SECBINFHSA-N -1 3 397.417 -0.865 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCNC(N)=O ZINC000820443920 607089830 /nfs/dbraw/zinc/08/98/30/607089830.db2.gz BABZDZPGBPGQNU-VIFPVBQESA-N -1 3 397.417 -0.865 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCNC(N)=O ZINC000820443920 607089828 /nfs/dbraw/zinc/08/98/28/607089828.db2.gz BABZDZPGBPGQNU-VIFPVBQESA-N -1 3 397.417 -0.865 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1nccn1C ZINC000820443931 945449188 /nfs/dbraw/zinc/44/91/88/945449188.db2.gz BKXCOOHQSLAVQU-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1nccn1C ZINC000820443931 945449184 /nfs/dbraw/zinc/44/91/84/945449184.db2.gz BKXCOOHQSLAVQU-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1nccn1C ZINC000820443932 945448392 /nfs/dbraw/zinc/44/83/92/945448392.db2.gz BKXCOOHQSLAVQU-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1nccn1C ZINC000820443932 945448385 /nfs/dbraw/zinc/44/83/85/945448385.db2.gz BKXCOOHQSLAVQU-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)N(C)C ZINC000820443973 607082391 /nfs/dbraw/zinc/08/23/91/607082391.db2.gz CKOISGDEMACKNE-SECBINFHSA-N -1 3 382.402 -0.835 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)N(C)C ZINC000820443973 607082390 /nfs/dbraw/zinc/08/23/90/607082390.db2.gz CKOISGDEMACKNE-SECBINFHSA-N -1 3 382.402 -0.835 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)N(C)C ZINC000820443974 607081966 /nfs/dbraw/zinc/08/19/66/607081966.db2.gz CKOISGDEMACKNE-VIFPVBQESA-N -1 3 382.402 -0.835 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)N(C)C ZINC000820443974 607081965 /nfs/dbraw/zinc/08/19/65/607081965.db2.gz CKOISGDEMACKNE-VIFPVBQESA-N -1 3 382.402 -0.835 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@](C)(O)C1 ZINC000820443983 607053757 /nfs/dbraw/zinc/05/37/57/607053757.db2.gz CRJFNVSCOZTTDF-BMIGLBTASA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@](C)(O)C1 ZINC000820443983 607053755 /nfs/dbraw/zinc/05/37/55/607053755.db2.gz CRJFNVSCOZTTDF-BMIGLBTASA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@](C)(O)C1 ZINC000820443984 607053982 /nfs/dbraw/zinc/05/39/82/607053982.db2.gz CRJFNVSCOZTTDF-BONVTDFDSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@](C)(O)C1 ZINC000820443984 607053981 /nfs/dbraw/zinc/05/39/81/607053981.db2.gz CRJFNVSCOZTTDF-BONVTDFDSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@](C)(O)C1 ZINC000820443985 607053823 /nfs/dbraw/zinc/05/38/23/607053823.db2.gz CRJFNVSCOZTTDF-MEBBXXQBSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@](C)(O)C1 ZINC000820443985 607053821 /nfs/dbraw/zinc/05/38/21/607053821.db2.gz CRJFNVSCOZTTDF-MEBBXXQBSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@](C)(O)C1 ZINC000820443986 607053998 /nfs/dbraw/zinc/05/39/98/607053998.db2.gz CRJFNVSCOZTTDF-ZUZCIYMTSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@](C)(O)C1 ZINC000820443986 607053997 /nfs/dbraw/zinc/05/39/97/607053997.db2.gz CRJFNVSCOZTTDF-ZUZCIYMTSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCOC1=O ZINC000820444027 607116238 /nfs/dbraw/zinc/11/62/38/607116238.db2.gz DRALWESWUKZGTK-GZMMTYOYSA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCOC1=O ZINC000820444027 607116237 /nfs/dbraw/zinc/11/62/37/607116237.db2.gz DRALWESWUKZGTK-GZMMTYOYSA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCOC1=O ZINC000820444028 607115921 /nfs/dbraw/zinc/11/59/21/607115921.db2.gz DRALWESWUKZGTK-KCJUWKMLSA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCOC1=O ZINC000820444028 607115919 /nfs/dbraw/zinc/11/59/19/607115919.db2.gz DRALWESWUKZGTK-KCJUWKMLSA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCOC1=O ZINC000820444029 607115928 /nfs/dbraw/zinc/11/59/28/607115928.db2.gz DRALWESWUKZGTK-KWQFWETISA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCOC1=O ZINC000820444029 607115925 /nfs/dbraw/zinc/11/59/25/607115925.db2.gz DRALWESWUKZGTK-KWQFWETISA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCOC1=O ZINC000820444030 607115958 /nfs/dbraw/zinc/11/59/58/607115958.db2.gz DRALWESWUKZGTK-LDYMZIIASA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCOC1=O ZINC000820444030 607115957 /nfs/dbraw/zinc/11/59/57/607115957.db2.gz DRALWESWUKZGTK-LDYMZIIASA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccnn1C ZINC000820444039 606993439 /nfs/dbraw/zinc/99/34/39/606993439.db2.gz DTFCGLHDLOAZDW-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccnn1C ZINC000820444039 606993437 /nfs/dbraw/zinc/99/34/37/606993437.db2.gz DTFCGLHDLOAZDW-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccnn1C ZINC000820444040 606993616 /nfs/dbraw/zinc/99/36/16/606993616.db2.gz DTFCGLHDLOAZDW-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccnn1C ZINC000820444040 606993615 /nfs/dbraw/zinc/99/36/15/606993615.db2.gz DTFCGLHDLOAZDW-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCn1ccnc1 ZINC000820444071 606995357 /nfs/dbraw/zinc/99/53/57/606995357.db2.gz FLBFRWJBLPDGDJ-LLVKDONJSA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCn1ccnc1 ZINC000820444071 606995356 /nfs/dbraw/zinc/99/53/56/606995356.db2.gz FLBFRWJBLPDGDJ-LLVKDONJSA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCn1ccnc1 ZINC000820444072 606995005 /nfs/dbraw/zinc/99/50/05/606995005.db2.gz FLBFRWJBLPDGDJ-NSHDSACASA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCn1ccnc1 ZINC000820444072 606995003 /nfs/dbraw/zinc/99/50/03/606995003.db2.gz FLBFRWJBLPDGDJ-NSHDSACASA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(O)CC1 ZINC000820444095 606993586 /nfs/dbraw/zinc/99/35/86/606993586.db2.gz FWJPLLOBDWRBGD-JTQLQIEISA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(O)CC1 ZINC000820444095 606993585 /nfs/dbraw/zinc/99/35/85/606993585.db2.gz FWJPLLOBDWRBGD-JTQLQIEISA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(O)CC1 ZINC000820444096 606993568 /nfs/dbraw/zinc/99/35/68/606993568.db2.gz FWJPLLOBDWRBGD-SNVBAGLBSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(O)CC1 ZINC000820444096 606993567 /nfs/dbraw/zinc/99/35/67/606993567.db2.gz FWJPLLOBDWRBGD-SNVBAGLBSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccon1 ZINC000820444103 607052004 /nfs/dbraw/zinc/05/20/04/607052004.db2.gz GFCLWBFAFXUVNE-SECBINFHSA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccon1 ZINC000820444103 607052002 /nfs/dbraw/zinc/05/20/02/607052002.db2.gz GFCLWBFAFXUVNE-SECBINFHSA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccon1 ZINC000820444104 607052494 /nfs/dbraw/zinc/05/24/94/607052494.db2.gz GFCLWBFAFXUVNE-VIFPVBQESA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccon1 ZINC000820444104 607052492 /nfs/dbraw/zinc/05/24/92/607052492.db2.gz GFCLWBFAFXUVNE-VIFPVBQESA-N -1 3 377.386 -0.162 20 0 GBADHM CC(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820444109 607022704 /nfs/dbraw/zinc/02/27/04/607022704.db2.gz GHFLNDDRJHJRCD-BXKDBHETSA-N -1 3 395.445 -0.840 20 0 GBADHM CC(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820444109 607022702 /nfs/dbraw/zinc/02/27/02/607022702.db2.gz GHFLNDDRJHJRCD-BXKDBHETSA-N -1 3 395.445 -0.840 20 0 GBADHM CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820444110 607022488 /nfs/dbraw/zinc/02/24/88/607022488.db2.gz GHFLNDDRJHJRCD-CABZTGNLSA-N -1 3 395.445 -0.840 20 0 GBADHM CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820444110 607022486 /nfs/dbraw/zinc/02/24/86/607022486.db2.gz GHFLNDDRJHJRCD-CABZTGNLSA-N -1 3 395.445 -0.840 20 0 GBADHM CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820444111 607022601 /nfs/dbraw/zinc/02/26/01/607022601.db2.gz GHFLNDDRJHJRCD-JOYOIKCWSA-N -1 3 395.445 -0.840 20 0 GBADHM CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820444111 607022600 /nfs/dbraw/zinc/02/26/00/607022600.db2.gz GHFLNDDRJHJRCD-JOYOIKCWSA-N -1 3 395.445 -0.840 20 0 GBADHM CC(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820444112 607022656 /nfs/dbraw/zinc/02/26/56/607022656.db2.gz GHFLNDDRJHJRCD-SKDRFNHKSA-N -1 3 395.445 -0.840 20 0 GBADHM CC(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820444112 607022655 /nfs/dbraw/zinc/02/26/55/607022655.db2.gz GHFLNDDRJHJRCD-SKDRFNHKSA-N -1 3 395.445 -0.840 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1cn[nH]c1 ZINC000820444135 607033055 /nfs/dbraw/zinc/03/30/55/607033055.db2.gz GVVDIPKKMUMUHL-JTQLQIEISA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1cn[nH]c1 ZINC000820444135 607033054 /nfs/dbraw/zinc/03/30/54/607033054.db2.gz GVVDIPKKMUMUHL-JTQLQIEISA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1cn[nH]c1 ZINC000820444136 607033115 /nfs/dbraw/zinc/03/31/15/607033115.db2.gz GVVDIPKKMUMUHL-SNVBAGLBSA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1cn[nH]c1 ZINC000820444136 607033113 /nfs/dbraw/zinc/03/31/13/607033113.db2.gz GVVDIPKKMUMUHL-SNVBAGLBSA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCN(C)CC1 ZINC000820444149 606974492 /nfs/dbraw/zinc/97/44/92/606974492.db2.gz HCFHWDBBQJOTFM-LLVKDONJSA-N -1 3 379.446 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCN(C)CC1 ZINC000820444149 606974488 /nfs/dbraw/zinc/97/44/88/606974488.db2.gz HCFHWDBBQJOTFM-LLVKDONJSA-N -1 3 379.446 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCN(C)CC1 ZINC000820444150 606974810 /nfs/dbraw/zinc/97/48/10/606974810.db2.gz HCFHWDBBQJOTFM-NSHDSACASA-N -1 3 379.446 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCN(C)CC1 ZINC000820444150 606974808 /nfs/dbraw/zinc/97/48/08/606974808.db2.gz HCFHWDBBQJOTFM-NSHDSACASA-N -1 3 379.446 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H](C)C(=O)N(C)C ZINC000820444155 607115953 /nfs/dbraw/zinc/11/59/53/607115953.db2.gz HFFCSVXNVIOGRM-NXEZZACHSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H](C)C(=O)N(C)C ZINC000820444155 607115951 /nfs/dbraw/zinc/11/59/51/607115951.db2.gz HFFCSVXNVIOGRM-NXEZZACHSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)C(=O)N(C)C ZINC000820444156 607115836 /nfs/dbraw/zinc/11/58/36/607115836.db2.gz HFFCSVXNVIOGRM-UWVGGRQHSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](C)C(=O)N(C)C ZINC000820444156 607115834 /nfs/dbraw/zinc/11/58/34/607115834.db2.gz HFFCSVXNVIOGRM-UWVGGRQHSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C ZINC000820444160 607116062 /nfs/dbraw/zinc/11/60/62/607116062.db2.gz HFFCSVXNVIOGRM-VHSXEESVSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C ZINC000820444160 607116060 /nfs/dbraw/zinc/11/60/60/607116060.db2.gz HFFCSVXNVIOGRM-VHSXEESVSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H](C)C(=O)N(C)C ZINC000820444161 607115992 /nfs/dbraw/zinc/11/59/92/607115992.db2.gz HFFCSVXNVIOGRM-ZJUUUORDSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H](C)C(=O)N(C)C ZINC000820444161 607115990 /nfs/dbraw/zinc/11/59/90/607115990.db2.gz HFFCSVXNVIOGRM-ZJUUUORDSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1nncn1C ZINC000820444164 607322341 /nfs/dbraw/zinc/32/23/41/607322341.db2.gz HFSQDUFGWQBWBB-SECBINFHSA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1nncn1C ZINC000820444164 607322340 /nfs/dbraw/zinc/32/23/40/607322340.db2.gz HFSQDUFGWQBWBB-SECBINFHSA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1nncn1C ZINC000820444172 607322383 /nfs/dbraw/zinc/32/23/83/607322383.db2.gz HFSQDUFGWQBWBB-VIFPVBQESA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1nncn1C ZINC000820444172 607322382 /nfs/dbraw/zinc/32/23/82/607322382.db2.gz HFSQDUFGWQBWBB-VIFPVBQESA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cc[nH]n1 ZINC000820444188 606995308 /nfs/dbraw/zinc/99/53/08/606995308.db2.gz HLLQKMWXVPOXLE-SECBINFHSA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cc[nH]n1 ZINC000820444188 606995306 /nfs/dbraw/zinc/99/53/06/606995306.db2.gz HLLQKMWXVPOXLE-SECBINFHSA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cc[nH]n1 ZINC000820444190 606995336 /nfs/dbraw/zinc/99/53/36/606995336.db2.gz HLLQKMWXVPOXLE-VIFPVBQESA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cc[nH]n1 ZINC000820444190 606995335 /nfs/dbraw/zinc/99/53/35/606995335.db2.gz HLLQKMWXVPOXLE-VIFPVBQESA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCO1 ZINC000820444193 606976472 /nfs/dbraw/zinc/97/64/72/606976472.db2.gz HLZOUTKQLNRZML-CMPLNLGQSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCCO1 ZINC000820444193 606976470 /nfs/dbraw/zinc/97/64/70/606976470.db2.gz HLZOUTKQLNRZML-CMPLNLGQSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000820444195 606976478 /nfs/dbraw/zinc/97/64/78/606976478.db2.gz HLZOUTKQLNRZML-JQWIXIFHSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000820444195 606976476 /nfs/dbraw/zinc/97/64/76/606976476.db2.gz HLZOUTKQLNRZML-JQWIXIFHSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000820444197 606976732 /nfs/dbraw/zinc/97/67/32/606976732.db2.gz HLZOUTKQLNRZML-PWSUYJOCSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCCO1 ZINC000820444197 606976731 /nfs/dbraw/zinc/97/67/31/606976731.db2.gz HLZOUTKQLNRZML-PWSUYJOCSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCCO1 ZINC000820444199 606976685 /nfs/dbraw/zinc/97/66/85/606976685.db2.gz HLZOUTKQLNRZML-ZYHUDNBSSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCCO1 ZINC000820444199 606976683 /nfs/dbraw/zinc/97/66/83/606976683.db2.gz HLZOUTKQLNRZML-ZYHUDNBSSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(O)CCCC1 ZINC000820444202 607028608 /nfs/dbraw/zinc/02/86/08/607028608.db2.gz HOSNBLIENFMUGQ-LLVKDONJSA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(O)CCCC1 ZINC000820444202 607028605 /nfs/dbraw/zinc/02/86/05/607028605.db2.gz HOSNBLIENFMUGQ-LLVKDONJSA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(O)CCCC1 ZINC000820444204 607028272 /nfs/dbraw/zinc/02/82/72/607028272.db2.gz HOSNBLIENFMUGQ-NSHDSACASA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(O)CCCC1 ZINC000820444204 607028271 /nfs/dbraw/zinc/02/82/71/607028271.db2.gz HOSNBLIENFMUGQ-NSHDSACASA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](CO)C1 ZINC000820444222 607192546 /nfs/dbraw/zinc/19/25/46/607192546.db2.gz HRDFXSWYZATUJV-NEPJUHHUSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](CO)C1 ZINC000820444222 607192545 /nfs/dbraw/zinc/19/25/45/607192545.db2.gz HRDFXSWYZATUJV-NEPJUHHUSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](CO)C1 ZINC000820444223 607192594 /nfs/dbraw/zinc/19/25/94/607192594.db2.gz HRDFXSWYZATUJV-NWDGAFQWSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](CO)C1 ZINC000820444223 607192593 /nfs/dbraw/zinc/19/25/93/607192593.db2.gz HRDFXSWYZATUJV-NWDGAFQWSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](CO)C1 ZINC000820444224 607192528 /nfs/dbraw/zinc/19/25/28/607192528.db2.gz HRDFXSWYZATUJV-RYUDHWBXSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](CO)C1 ZINC000820444224 607192527 /nfs/dbraw/zinc/19/25/27/607192527.db2.gz HRDFXSWYZATUJV-RYUDHWBXSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](CO)C1 ZINC000820444225 607192391 /nfs/dbraw/zinc/19/23/91/607192391.db2.gz HRDFXSWYZATUJV-VXGBXAGGSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](CO)C1 ZINC000820444225 607192390 /nfs/dbraw/zinc/19/23/90/607192390.db2.gz HRDFXSWYZATUJV-VXGBXAGGSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ncnn1C ZINC000820444232 607184914 /nfs/dbraw/zinc/18/49/14/607184914.db2.gz HXAISHWSHLDJJF-SECBINFHSA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ncnn1C ZINC000820444232 607184913 /nfs/dbraw/zinc/18/49/13/607184913.db2.gz HXAISHWSHLDJJF-SECBINFHSA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1ncnn1C ZINC000820444234 607185018 /nfs/dbraw/zinc/18/50/18/607185018.db2.gz HXAISHWSHLDJJF-VIFPVBQESA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1ncnn1C ZINC000820444234 607185017 /nfs/dbraw/zinc/18/50/17/607185017.db2.gz HXAISHWSHLDJJF-VIFPVBQESA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)c1cn[nH]c1 ZINC000820444274 607052397 /nfs/dbraw/zinc/05/23/97/607052397.db2.gz IBPQZMKTCYHMHI-SECBINFHSA-N -1 3 376.402 -0.080 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)c1cn[nH]c1 ZINC000820444274 607052396 /nfs/dbraw/zinc/05/23/96/607052396.db2.gz IBPQZMKTCYHMHI-SECBINFHSA-N -1 3 376.402 -0.080 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)c1cn[nH]c1 ZINC000820444276 607052172 /nfs/dbraw/zinc/05/21/72/607052172.db2.gz IBPQZMKTCYHMHI-VIFPVBQESA-N -1 3 376.402 -0.080 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)c1cn[nH]c1 ZINC000820444276 607052171 /nfs/dbraw/zinc/05/21/71/607052171.db2.gz IBPQZMKTCYHMHI-VIFPVBQESA-N -1 3 376.402 -0.080 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ncc[nH]1 ZINC000820444319 607025952 /nfs/dbraw/zinc/02/59/52/607025952.db2.gz INIHXBJUBSVYKF-SECBINFHSA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ncc[nH]1 ZINC000820444319 607025950 /nfs/dbraw/zinc/02/59/50/607025950.db2.gz INIHXBJUBSVYKF-SECBINFHSA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ncc[nH]1 ZINC000820444322 607025889 /nfs/dbraw/zinc/02/58/89/607025889.db2.gz INIHXBJUBSVYKF-VIFPVBQESA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ncc[nH]1 ZINC000820444322 607025888 /nfs/dbraw/zinc/02/58/88/607025888.db2.gz INIHXBJUBSVYKF-VIFPVBQESA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1ncc[nH]1 ZINC000820444530 607024210 /nfs/dbraw/zinc/02/42/10/607024210.db2.gz KBYOZPXTNVYWAA-JTQLQIEISA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1ncc[nH]1 ZINC000820444530 607024209 /nfs/dbraw/zinc/02/42/09/607024209.db2.gz KBYOZPXTNVYWAA-JTQLQIEISA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1ncc[nH]1 ZINC000820444532 607024015 /nfs/dbraw/zinc/02/40/15/607024015.db2.gz KBYOZPXTNVYWAA-SNVBAGLBSA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1ncc[nH]1 ZINC000820444532 607024012 /nfs/dbraw/zinc/02/40/12/607024012.db2.gz KBYOZPXTNVYWAA-SNVBAGLBSA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000820444573 607052423 /nfs/dbraw/zinc/05/24/23/607052423.db2.gz KSPQUAXSRSJOSE-RTXFEEFZSA-N -1 3 392.441 -0.077 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000820444573 607052421 /nfs/dbraw/zinc/05/24/21/607052421.db2.gz KSPQUAXSRSJOSE-RTXFEEFZSA-N -1 3 392.441 -0.077 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000820444575 607052227 /nfs/dbraw/zinc/05/22/27/607052227.db2.gz KSPQUAXSRSJOSE-WCFLWFBJSA-N -1 3 392.441 -0.077 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000820444575 607052225 /nfs/dbraw/zinc/05/22/25/607052225.db2.gz KSPQUAXSRSJOSE-WCFLWFBJSA-N -1 3 392.441 -0.077 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1COCCO1 ZINC000820444589 607084447 /nfs/dbraw/zinc/08/44/47/607084447.db2.gz KWYJMKHJNNJQOP-CMPLNLGQSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1COCCO1 ZINC000820444589 607084444 /nfs/dbraw/zinc/08/44/44/607084444.db2.gz KWYJMKHJNNJQOP-CMPLNLGQSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1COCCO1 ZINC000820444591 607084182 /nfs/dbraw/zinc/08/41/82/607084182.db2.gz KWYJMKHJNNJQOP-JQWIXIFHSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1COCCO1 ZINC000820444591 607084180 /nfs/dbraw/zinc/08/41/80/607084180.db2.gz KWYJMKHJNNJQOP-JQWIXIFHSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1COCCO1 ZINC000820444593 607084541 /nfs/dbraw/zinc/08/45/41/607084541.db2.gz KWYJMKHJNNJQOP-PWSUYJOCSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1COCCO1 ZINC000820444593 607084539 /nfs/dbraw/zinc/08/45/39/607084539.db2.gz KWYJMKHJNNJQOP-PWSUYJOCSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1COCCO1 ZINC000820444595 607084177 /nfs/dbraw/zinc/08/41/77/607084177.db2.gz KWYJMKHJNNJQOP-ZYHUDNBSSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1COCCO1 ZINC000820444595 607084175 /nfs/dbraw/zinc/08/41/75/607084175.db2.gz KWYJMKHJNNJQOP-ZYHUDNBSSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCN(C)C1=O ZINC000820444607 607115964 /nfs/dbraw/zinc/11/59/64/607115964.db2.gz KZZNJOAWBNVSBU-BXKDBHETSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCN(C)C1=O ZINC000820444607 607115962 /nfs/dbraw/zinc/11/59/62/607115962.db2.gz KZZNJOAWBNVSBU-BXKDBHETSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCN(C)C1=O ZINC000820444609 607116021 /nfs/dbraw/zinc/11/60/21/607116021.db2.gz KZZNJOAWBNVSBU-CABZTGNLSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCN(C)C1=O ZINC000820444609 607116019 /nfs/dbraw/zinc/11/60/19/607116019.db2.gz KZZNJOAWBNVSBU-CABZTGNLSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCN(C)C1=O ZINC000820444611 607116161 /nfs/dbraw/zinc/11/61/61/607116161.db2.gz KZZNJOAWBNVSBU-JOYOIKCWSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCN(C)C1=O ZINC000820444611 607116159 /nfs/dbraw/zinc/11/61/59/607116159.db2.gz KZZNJOAWBNVSBU-JOYOIKCWSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CCN(C)C1=O ZINC000820444612 607115816 /nfs/dbraw/zinc/11/58/16/607115816.db2.gz KZZNJOAWBNVSBU-SKDRFNHKSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CCN(C)C1=O ZINC000820444612 607115815 /nfs/dbraw/zinc/11/58/15/607115815.db2.gz KZZNJOAWBNVSBU-SKDRFNHKSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[S@](C)=O ZINC000820444702 607022273 /nfs/dbraw/zinc/02/22/73/607022273.db2.gz LHERKXIZINCLNJ-ITSYKEIMSA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[S@](C)=O ZINC000820444702 607022271 /nfs/dbraw/zinc/02/22/71/607022271.db2.gz LHERKXIZINCLNJ-ITSYKEIMSA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[S@@](C)=O ZINC000820444706 607022659 /nfs/dbraw/zinc/02/26/59/607022659.db2.gz LHERKXIZINCLNJ-MXUQEVIESA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[S@@](C)=O ZINC000820444706 607022658 /nfs/dbraw/zinc/02/26/58/607022658.db2.gz LHERKXIZINCLNJ-MXUQEVIESA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[S@@](C)=O ZINC000820444708 607022638 /nfs/dbraw/zinc/02/26/38/607022638.db2.gz LHERKXIZINCLNJ-UZKFNYRNSA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[S@@](C)=O ZINC000820444708 607022637 /nfs/dbraw/zinc/02/26/37/607022637.db2.gz LHERKXIZINCLNJ-UZKFNYRNSA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC[S@](C)=O ZINC000820444710 607022516 /nfs/dbraw/zinc/02/25/16/607022516.db2.gz LHERKXIZINCLNJ-VHMAXNEBSA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC[S@](C)=O ZINC000820444710 607022514 /nfs/dbraw/zinc/02/25/14/607022514.db2.gz LHERKXIZINCLNJ-VHMAXNEBSA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccnn1C ZINC000820444720 607018749 /nfs/dbraw/zinc/01/87/49/607018749.db2.gz LLYOXZDZLZLWAQ-SECBINFHSA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccnn1C ZINC000820444720 607018747 /nfs/dbraw/zinc/01/87/47/607018747.db2.gz LLYOXZDZLZLWAQ-SECBINFHSA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccnn1C ZINC000820444721 607018802 /nfs/dbraw/zinc/01/88/02/607018802.db2.gz LLYOXZDZLZLWAQ-VIFPVBQESA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccnn1C ZINC000820444721 607018800 /nfs/dbraw/zinc/01/88/00/607018800.db2.gz LLYOXZDZLZLWAQ-VIFPVBQESA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCS(=O)CC1 ZINC000820444722 607022635 /nfs/dbraw/zinc/02/26/35/607022635.db2.gz LLZSZXUJNZXLCL-JTQLQIEISA-N -1 3 398.470 -0.876 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCS(=O)CC1 ZINC000820444722 607022634 /nfs/dbraw/zinc/02/26/34/607022634.db2.gz LLZSZXUJNZXLCL-JTQLQIEISA-N -1 3 398.470 -0.876 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCS(=O)CC1 ZINC000820444724 607022647 /nfs/dbraw/zinc/02/26/47/607022647.db2.gz LLZSZXUJNZXLCL-SNVBAGLBSA-N -1 3 398.470 -0.876 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCS(=O)CC1 ZINC000820444724 607022646 /nfs/dbraw/zinc/02/26/46/607022646.db2.gz LLZSZXUJNZXLCL-SNVBAGLBSA-N -1 3 398.470 -0.876 20 0 GBADHM C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC000820444739 607053883 /nfs/dbraw/zinc/05/38/83/607053883.db2.gz LODQRZATGBEEAX-NXEZZACHSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC000820444739 607053880 /nfs/dbraw/zinc/05/38/80/607053880.db2.gz LODQRZATGBEEAX-NXEZZACHSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC000820444741 607027041 /nfs/dbraw/zinc/02/70/41/607027041.db2.gz LODQRZATGBEEAX-UWVGGRQHSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC000820444741 607027040 /nfs/dbraw/zinc/02/70/40/607027040.db2.gz LODQRZATGBEEAX-UWVGGRQHSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC000820444742 607054728 /nfs/dbraw/zinc/05/47/28/607054728.db2.gz LODQRZATGBEEAX-VHSXEESVSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC000820444742 607054726 /nfs/dbraw/zinc/05/47/26/607054726.db2.gz LODQRZATGBEEAX-VHSXEESVSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000820444743 607026912 /nfs/dbraw/zinc/02/69/12/607026912.db2.gz LODQRZATGBEEAX-ZJUUUORDSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000820444743 607026910 /nfs/dbraw/zinc/02/69/10/607026910.db2.gz LODQRZATGBEEAX-ZJUUUORDSA-N -1 3 395.445 -0.874 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(CO)CC1 ZINC000820444843 607362546 /nfs/dbraw/zinc/36/25/46/607362546.db2.gz MHBYJDQBWJOGIV-LLVKDONJSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(CO)CC1 ZINC000820444843 607362544 /nfs/dbraw/zinc/36/25/44/607362544.db2.gz MHBYJDQBWJOGIV-LLVKDONJSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(CO)CC1 ZINC000820444844 607362664 /nfs/dbraw/zinc/36/26/64/607362664.db2.gz MHBYJDQBWJOGIV-NSHDSACASA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(CO)CC1 ZINC000820444844 607362663 /nfs/dbraw/zinc/36/26/63/607362663.db2.gz MHBYJDQBWJOGIV-NSHDSACASA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c[nH]ccc1=O ZINC000820444863 607020276 /nfs/dbraw/zinc/02/02/76/607020276.db2.gz MYWBVJKFNSPIAU-SECBINFHSA-N -1 3 389.397 -0.140 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c[nH]ccc1=O ZINC000820444863 607020275 /nfs/dbraw/zinc/02/02/75/607020275.db2.gz MYWBVJKFNSPIAU-SECBINFHSA-N -1 3 389.397 -0.140 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1c[nH]ccc1=O ZINC000820444864 607020447 /nfs/dbraw/zinc/02/04/47/607020447.db2.gz MYWBVJKFNSPIAU-VIFPVBQESA-N -1 3 389.397 -0.140 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1c[nH]ccc1=O ZINC000820444864 607020445 /nfs/dbraw/zinc/02/04/45/607020445.db2.gz MYWBVJKFNSPIAU-VIFPVBQESA-N -1 3 389.397 -0.140 20 0 GBADHM CC(C)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000820445065 607115878 /nfs/dbraw/zinc/11/58/78/607115878.db2.gz NGGYOTBYRFHNFO-BXKDBHETSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000820445065 607115876 /nfs/dbraw/zinc/11/58/76/607115876.db2.gz NGGYOTBYRFHNFO-BXKDBHETSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000820445066 607115819 /nfs/dbraw/zinc/11/58/19/607115819.db2.gz NGGYOTBYRFHNFO-CABZTGNLSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000820445066 607115818 /nfs/dbraw/zinc/11/58/18/607115818.db2.gz NGGYOTBYRFHNFO-CABZTGNLSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000820445068 607115847 /nfs/dbraw/zinc/11/58/47/607115847.db2.gz NGGYOTBYRFHNFO-JOYOIKCWSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000820445068 607115846 /nfs/dbraw/zinc/11/58/46/607115846.db2.gz NGGYOTBYRFHNFO-JOYOIKCWSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000820445070 607116220 /nfs/dbraw/zinc/11/62/20/607116220.db2.gz NGGYOTBYRFHNFO-SKDRFNHKSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000820445070 607116219 /nfs/dbraw/zinc/11/62/19/607116219.db2.gz NGGYOTBYRFHNFO-SKDRFNHKSA-N -1 3 396.429 -0.413 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000820445097 607049621 /nfs/dbraw/zinc/04/96/21/607049621.db2.gz NLGHYSIQWYQFGS-JKOKRWQUSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000820445097 607049620 /nfs/dbraw/zinc/04/96/20/607049620.db2.gz NLGHYSIQWYQFGS-JKOKRWQUSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000820445099 607049247 /nfs/dbraw/zinc/04/92/47/607049247.db2.gz NLGHYSIQWYQFGS-SUHUHFCYSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000820445099 607049245 /nfs/dbraw/zinc/04/92/45/607049245.db2.gz NLGHYSIQWYQFGS-SUHUHFCYSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000820445101 607049537 /nfs/dbraw/zinc/04/95/37/607049537.db2.gz NLGHYSIQWYQFGS-VHRBIJSZSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000820445101 607049536 /nfs/dbraw/zinc/04/95/36/607049536.db2.gz NLGHYSIQWYQFGS-VHRBIJSZSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H]1CCC[C@H]1O ZINC000820445103 607049442 /nfs/dbraw/zinc/04/94/42/607049442.db2.gz NLGHYSIQWYQFGS-ZKYQVNSYSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC[C@H]1CCC[C@H]1O ZINC000820445103 607049439 /nfs/dbraw/zinc/04/94/39/607049439.db2.gz NLGHYSIQWYQFGS-ZKYQVNSYSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCn1cncn1 ZINC000820445108 607082763 /nfs/dbraw/zinc/08/27/63/607082763.db2.gz NMBHUVRDYSDSEB-JTQLQIEISA-N -1 3 392.401 -0.632 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCn1cncn1 ZINC000820445108 607082761 /nfs/dbraw/zinc/08/27/61/607082761.db2.gz NMBHUVRDYSDSEB-JTQLQIEISA-N -1 3 392.401 -0.632 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCn1cncn1 ZINC000820445109 607082745 /nfs/dbraw/zinc/08/27/45/607082745.db2.gz NMBHUVRDYSDSEB-SNVBAGLBSA-N -1 3 392.401 -0.632 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCn1cncn1 ZINC000820445109 607082744 /nfs/dbraw/zinc/08/27/44/607082744.db2.gz NMBHUVRDYSDSEB-SNVBAGLBSA-N -1 3 392.401 -0.632 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCOCCO ZINC000820445177 607116185 /nfs/dbraw/zinc/11/61/85/607116185.db2.gz OFIPKOXXKVGZFL-JTQLQIEISA-N -1 3 385.402 -0.914 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCOCCO ZINC000820445177 607116183 /nfs/dbraw/zinc/11/61/83/607116183.db2.gz OFIPKOXXKVGZFL-JTQLQIEISA-N -1 3 385.402 -0.914 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCOCCO ZINC000820445179 607116262 /nfs/dbraw/zinc/11/62/62/607116262.db2.gz OFIPKOXXKVGZFL-SNVBAGLBSA-N -1 3 385.402 -0.914 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCOCCO ZINC000820445179 607116261 /nfs/dbraw/zinc/11/62/61/607116261.db2.gz OFIPKOXXKVGZFL-SNVBAGLBSA-N -1 3 385.402 -0.914 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)c1cnn(C)c1 ZINC000820445193 607042447 /nfs/dbraw/zinc/04/24/47/607042447.db2.gz OKXKOZDRIIHLIR-JTQLQIEISA-N -1 3 390.429 -0.070 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)c1cnn(C)c1 ZINC000820445193 607042446 /nfs/dbraw/zinc/04/24/46/607042446.db2.gz OKXKOZDRIIHLIR-JTQLQIEISA-N -1 3 390.429 -0.070 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)c1cnn(C)c1 ZINC000820445196 607042615 /nfs/dbraw/zinc/04/26/15/607042615.db2.gz OKXKOZDRIIHLIR-SNVBAGLBSA-N -1 3 390.429 -0.070 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)c1cnn(C)c1 ZINC000820445196 607042614 /nfs/dbraw/zinc/04/26/14/607042614.db2.gz OKXKOZDRIIHLIR-SNVBAGLBSA-N -1 3 390.429 -0.070 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOC[C@H]1C ZINC000820445203 606993304 /nfs/dbraw/zinc/99/33/04/606993304.db2.gz OPRYUYQGBUEOHG-GHMZBOCLSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOC[C@H]1C ZINC000820445203 606993302 /nfs/dbraw/zinc/99/33/02/606993302.db2.gz OPRYUYQGBUEOHG-GHMZBOCLSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOC[C@H]1C ZINC000820445204 606993286 /nfs/dbraw/zinc/99/32/86/606993286.db2.gz OPRYUYQGBUEOHG-MNOVXSKESA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOC[C@H]1C ZINC000820445204 606993284 /nfs/dbraw/zinc/99/32/84/606993284.db2.gz OPRYUYQGBUEOHG-MNOVXSKESA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOC[C@@H]1C ZINC000820445206 606993457 /nfs/dbraw/zinc/99/34/57/606993457.db2.gz OPRYUYQGBUEOHG-QWRGUYRKSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOC[C@@H]1C ZINC000820445206 606993455 /nfs/dbraw/zinc/99/34/55/606993455.db2.gz OPRYUYQGBUEOHG-QWRGUYRKSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOC[C@@H]1C ZINC000820445208 606993372 /nfs/dbraw/zinc/99/33/72/606993372.db2.gz OPRYUYQGBUEOHG-WDEREUQCSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOC[C@@H]1C ZINC000820445208 606993370 /nfs/dbraw/zinc/99/33/70/606993370.db2.gz OPRYUYQGBUEOHG-WDEREUQCSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cocn1 ZINC000820445439 607023995 /nfs/dbraw/zinc/02/39/95/607023995.db2.gz PWAUFSJJGMPOOR-SECBINFHSA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cocn1 ZINC000820445439 607023993 /nfs/dbraw/zinc/02/39/93/607023993.db2.gz PWAUFSJJGMPOOR-SECBINFHSA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cocn1 ZINC000820445440 607024187 /nfs/dbraw/zinc/02/41/87/607024187.db2.gz PWAUFSJJGMPOOR-VIFPVBQESA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cocn1 ZINC000820445440 607024186 /nfs/dbraw/zinc/02/41/86/607024186.db2.gz PWAUFSJJGMPOOR-VIFPVBQESA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)NC1CC1 ZINC000820445491 607116298 /nfs/dbraw/zinc/11/62/98/607116298.db2.gz QOQWWAPKDFJDTH-SECBINFHSA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)NC1CC1 ZINC000820445491 607116297 /nfs/dbraw/zinc/11/62/97/607116297.db2.gz QOQWWAPKDFJDTH-SECBINFHSA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)NC1CC1 ZINC000820445496 607116304 /nfs/dbraw/zinc/11/63/04/607116304.db2.gz QOQWWAPKDFJDTH-VIFPVBQESA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)NC1CC1 ZINC000820445496 607116303 /nfs/dbraw/zinc/11/63/03/607116303.db2.gz QOQWWAPKDFJDTH-VIFPVBQESA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1cnn(C)c1 ZINC000820445505 607000052 /nfs/dbraw/zinc/00/00/52/607000052.db2.gz QPLNHSZRERUTGE-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1cnn(C)c1 ZINC000820445505 607000050 /nfs/dbraw/zinc/00/00/50/607000050.db2.gz QPLNHSZRERUTGE-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM 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GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCC(N)=O ZINC000820446292 607090698 /nfs/dbraw/zinc/09/06/98/607090698.db2.gz UGULHRILHBVUAJ-SECBINFHSA-N -1 3 382.402 -0.658 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCC(N)=O ZINC000820446303 607090983 /nfs/dbraw/zinc/09/09/83/607090983.db2.gz UGULHRILHBVUAJ-VIFPVBQESA-N -1 3 382.402 -0.658 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCC(N)=O ZINC000820446303 607090981 /nfs/dbraw/zinc/09/09/81/607090981.db2.gz UGULHRILHBVUAJ-VIFPVBQESA-N -1 3 382.402 -0.658 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCn1cccn1 ZINC000820446371 607002089 /nfs/dbraw/zinc/00/20/89/607002089.db2.gz VNMLYKVGBRKJFU-LLVKDONJSA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCn1cccn1 ZINC000820446371 607002088 /nfs/dbraw/zinc/00/20/88/607002088.db2.gz VNMLYKVGBRKJFU-LLVKDONJSA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCn1cccn1 ZINC000820446372 607001758 /nfs/dbraw/zinc/00/17/58/607001758.db2.gz VNMLYKVGBRKJFU-NSHDSACASA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCn1cccn1 ZINC000820446372 607001757 /nfs/dbraw/zinc/00/17/57/607001757.db2.gz VNMLYKVGBRKJFU-NSHDSACASA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1cc[nH]n1 ZINC000820446398 607025760 /nfs/dbraw/zinc/02/57/60/607025760.db2.gz WBPLXFJPJDIIDQ-JTQLQIEISA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1cc[nH]n1 ZINC000820446398 607025759 /nfs/dbraw/zinc/02/57/59/607025759.db2.gz WBPLXFJPJDIIDQ-JTQLQIEISA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)Cc1cc[nH]n1 ZINC000820446399 607025884 /nfs/dbraw/zinc/02/58/84/607025884.db2.gz WBPLXFJPJDIIDQ-SNVBAGLBSA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)Cc1cc[nH]n1 ZINC000820446399 607025881 /nfs/dbraw/zinc/02/58/81/607025881.db2.gz WBPLXFJPJDIIDQ-SNVBAGLBSA-N -1 3 390.429 -0.085 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000820446413 607156081 /nfs/dbraw/zinc/15/60/81/607156081.db2.gz WFIJZEJCZHLHOJ-GMXVVIOVSA-N -1 3 392.441 -0.413 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000820446413 607156079 /nfs/dbraw/zinc/15/60/79/607156079.db2.gz WFIJZEJCZHLHOJ-GMXVVIOVSA-N -1 3 392.441 -0.413 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000820446422 607156253 /nfs/dbraw/zinc/15/62/53/607156253.db2.gz WFIJZEJCZHLHOJ-NTZNESFSSA-N -1 3 392.441 -0.413 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000820446422 607156251 /nfs/dbraw/zinc/15/62/51/607156251.db2.gz WFIJZEJCZHLHOJ-NTZNESFSSA-N -1 3 392.441 -0.413 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)N1CCC1 ZINC000820446591 607116301 /nfs/dbraw/zinc/11/63/01/607116301.db2.gz WFWMZGIRPHGKRI-JTQLQIEISA-N -1 3 394.413 -0.691 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)N1CCC1 ZINC000820446591 607116300 /nfs/dbraw/zinc/11/63/00/607116300.db2.gz WFWMZGIRPHGKRI-JTQLQIEISA-N -1 3 394.413 -0.691 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(=O)N1CCC1 ZINC000820446594 607116295 /nfs/dbraw/zinc/11/62/95/607116295.db2.gz WFWMZGIRPHGKRI-SNVBAGLBSA-N -1 3 394.413 -0.691 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC(=O)N1CCC1 ZINC000820446594 607116294 /nfs/dbraw/zinc/11/62/94/607116294.db2.gz WFWMZGIRPHGKRI-SNVBAGLBSA-N -1 3 394.413 -0.691 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CC(=O)N(C)C ZINC000820446604 606983223 /nfs/dbraw/zinc/98/32/23/606983223.db2.gz WHUIKUNXDRUJRQ-JTQLQIEISA-N -1 3 395.445 -0.920 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CC(=O)N(C)C ZINC000820446604 606983222 /nfs/dbraw/zinc/98/32/22/606983222.db2.gz WHUIKUNXDRUJRQ-JTQLQIEISA-N -1 3 395.445 -0.920 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CC(=O)N(C)C ZINC000820446609 606983347 /nfs/dbraw/zinc/98/33/47/606983347.db2.gz WHUIKUNXDRUJRQ-SNVBAGLBSA-N -1 3 395.445 -0.920 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CC(=O)N(C)C ZINC000820446609 606983345 /nfs/dbraw/zinc/98/33/45/606983345.db2.gz WHUIKUNXDRUJRQ-SNVBAGLBSA-N -1 3 395.445 -0.920 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](O)C1 ZINC000820446656 606993352 /nfs/dbraw/zinc/99/33/52/606993352.db2.gz WNEMHEJHDLBPLN-CMPLNLGQSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](O)C1 ZINC000820446656 606993350 /nfs/dbraw/zinc/99/33/50/606993350.db2.gz WNEMHEJHDLBPLN-CMPLNLGQSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](O)C1 ZINC000820446661 606993512 /nfs/dbraw/zinc/99/35/12/606993512.db2.gz WNEMHEJHDLBPLN-JQWIXIFHSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](O)C1 ZINC000820446661 606993510 /nfs/dbraw/zinc/99/35/10/606993510.db2.gz WNEMHEJHDLBPLN-JQWIXIFHSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@H](O)C1 ZINC000820446662 606993607 /nfs/dbraw/zinc/99/36/07/606993607.db2.gz WNEMHEJHDLBPLN-PWSUYJOCSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@H](O)C1 ZINC000820446662 606993606 /nfs/dbraw/zinc/99/36/06/606993606.db2.gz WNEMHEJHDLBPLN-PWSUYJOCSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H](O)C1 ZINC000820446664 606993562 /nfs/dbraw/zinc/99/35/62/606993562.db2.gz WNEMHEJHDLBPLN-ZYHUDNBSSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H](O)C1 ZINC000820446664 606993561 /nfs/dbraw/zinc/99/35/61/606993561.db2.gz WNEMHEJHDLBPLN-ZYHUDNBSSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ncc[nH]1 ZINC000820446693 607023961 /nfs/dbraw/zinc/02/39/61/607023961.db2.gz WRNUAEGGZIZPDN-JTQLQIEISA-N -1 3 390.429 -0.385 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ncc[nH]1 ZINC000820446693 607023959 /nfs/dbraw/zinc/02/39/59/607023959.db2.gz WRNUAEGGZIZPDN-JTQLQIEISA-N -1 3 390.429 -0.385 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ncc[nH]1 ZINC000820446703 607024096 /nfs/dbraw/zinc/02/40/96/607024096.db2.gz WRNUAEGGZIZPDN-SNVBAGLBSA-N -1 3 390.429 -0.385 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ncc[nH]1 ZINC000820446703 607024094 /nfs/dbraw/zinc/02/40/94/607024094.db2.gz WRNUAEGGZIZPDN-SNVBAGLBSA-N -1 3 390.429 -0.385 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@@H]1CCOC1 ZINC000820446727 607022631 /nfs/dbraw/zinc/02/26/31/607022631.db2.gz WWELRKBUWZTOHU-CMPLNLGQSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@@H]1CCOC1 ZINC000820446727 607022630 /nfs/dbraw/zinc/02/26/30/607022630.db2.gz WWELRKBUWZTOHU-CMPLNLGQSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@H]1CCOC1 ZINC000820446730 607022671 /nfs/dbraw/zinc/02/26/71/607022671.db2.gz WWELRKBUWZTOHU-JQWIXIFHSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@H]1CCOC1 ZINC000820446730 607022670 /nfs/dbraw/zinc/02/26/70/607022670.db2.gz WWELRKBUWZTOHU-JQWIXIFHSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@H]1CCOC1 ZINC000820446733 607022522 /nfs/dbraw/zinc/02/25/22/607022522.db2.gz WWELRKBUWZTOHU-PWSUYJOCSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@H]1CCOC1 ZINC000820446733 607022521 /nfs/dbraw/zinc/02/25/21/607022521.db2.gz WWELRKBUWZTOHU-PWSUYJOCSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)[C@@H]1CCOC1 ZINC000820446736 607022461 /nfs/dbraw/zinc/02/24/61/607022461.db2.gz WWELRKBUWZTOHU-ZYHUDNBSSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)[C@@H]1CCOC1 ZINC000820446736 607022459 /nfs/dbraw/zinc/02/24/59/607022459.db2.gz WWELRKBUWZTOHU-ZYHUDNBSSA-N -1 3 380.430 -0.219 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1=CC=NCC1=O ZINC000820446760 607154573 /nfs/dbraw/zinc/15/45/73/607154573.db2.gz XCARCSFVITWGDY-SECBINFHSA-N -1 3 389.397 -0.305 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1=CC=NCC1=O ZINC000820446760 607154572 /nfs/dbraw/zinc/15/45/72/607154572.db2.gz XCARCSFVITWGDY-SECBINFHSA-N -1 3 389.397 -0.305 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1=CC=NCC1=O ZINC000820446766 607154666 /nfs/dbraw/zinc/15/46/66/607154666.db2.gz XCARCSFVITWGDY-VIFPVBQESA-N -1 3 389.397 -0.305 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1=CC=NCC1=O ZINC000820446766 607154665 /nfs/dbraw/zinc/15/46/65/607154665.db2.gz XCARCSFVITWGDY-VIFPVBQESA-N -1 3 389.397 -0.305 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@H](O)C1CC1 ZINC000820446797 607060345 /nfs/dbraw/zinc/06/03/45/607060345.db2.gz XHJZJHVUVWQZPA-HZMBPMFUSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@H](O)C1CC1 ZINC000820446797 607060344 /nfs/dbraw/zinc/06/03/44/607060344.db2.gz XHJZJHVUVWQZPA-HZMBPMFUSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@@H](O)C1CC1 ZINC000820446799 607060327 /nfs/dbraw/zinc/06/03/27/607060327.db2.gz XHJZJHVUVWQZPA-IINYFYTJSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@@H](O)C1CC1 ZINC000820446799 607060326 /nfs/dbraw/zinc/06/03/26/607060326.db2.gz XHJZJHVUVWQZPA-IINYFYTJSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@@H](O)C1CC1 ZINC000820446803 607060304 /nfs/dbraw/zinc/06/03/04/607060304.db2.gz XHJZJHVUVWQZPA-QMTHXVAHSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@@H](O)C1CC1 ZINC000820446803 607060303 /nfs/dbraw/zinc/06/03/03/607060303.db2.gz XHJZJHVUVWQZPA-QMTHXVAHSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C[C@H](O)C1CC1 ZINC000820446804 607060615 /nfs/dbraw/zinc/06/06/15/607060615.db2.gz XHJZJHVUVWQZPA-YGRLFVJLSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C[C@H](O)C1CC1 ZINC000820446804 607060613 /nfs/dbraw/zinc/06/06/13/607060613.db2.gz XHJZJHVUVWQZPA-YGRLFVJLSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCC(=O)N(C)C ZINC000820446875 607082693 /nfs/dbraw/zinc/08/26/93/607082693.db2.gz XPYMBFCOFBOSCP-JTQLQIEISA-N -1 3 396.429 -0.445 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCC(=O)N(C)C ZINC000820446875 607082691 /nfs/dbraw/zinc/08/26/91/607082691.db2.gz XPYMBFCOFBOSCP-JTQLQIEISA-N -1 3 396.429 -0.445 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCC(=O)N(C)C ZINC000820446901 607082484 /nfs/dbraw/zinc/08/24/84/607082484.db2.gz XPYMBFCOFBOSCP-SNVBAGLBSA-N -1 3 396.429 -0.445 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCC(=O)N(C)C ZINC000820446901 607082482 /nfs/dbraw/zinc/08/24/82/607082482.db2.gz XPYMBFCOFBOSCP-SNVBAGLBSA-N -1 3 396.429 -0.445 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(C)(O)CC1 ZINC000820446925 945453237 /nfs/dbraw/zinc/45/32/37/945453237.db2.gz XRPIOWGTTZLSJV-LLVKDONJSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(C)(O)CC1 ZINC000820446925 945453233 /nfs/dbraw/zinc/45/32/33/945453233.db2.gz XRPIOWGTTZLSJV-LLVKDONJSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(C)(O)CC1 ZINC000820446929 945453495 /nfs/dbraw/zinc/45/34/95/945453495.db2.gz XRPIOWGTTZLSJV-NSHDSACASA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(C)(O)CC1 ZINC000820446929 945453491 /nfs/dbraw/zinc/45/34/91/945453491.db2.gz XRPIOWGTTZLSJV-NSHDSACASA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCOCC1 ZINC000820447148 607016793 /nfs/dbraw/zinc/01/67/93/607016793.db2.gz YLFBXNBXJDNYBK-LLVKDONJSA-N -1 3 380.430 -0.218 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCOCC1 ZINC000820447148 607016791 /nfs/dbraw/zinc/01/67/91/607016791.db2.gz YLFBXNBXJDNYBK-LLVKDONJSA-N -1 3 380.430 -0.218 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCCOCC1 ZINC000820447151 607016913 /nfs/dbraw/zinc/01/69/13/607016913.db2.gz YLFBXNBXJDNYBK-NSHDSACASA-N -1 3 380.430 -0.218 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCCOCC1 ZINC000820447151 607016910 /nfs/dbraw/zinc/01/69/10/607016910.db2.gz YLFBXNBXJDNYBK-NSHDSACASA-N -1 3 380.430 -0.218 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C(C)(C)O ZINC000820447166 607053042 /nfs/dbraw/zinc/05/30/42/607053042.db2.gz YMDMRMSOVOLGRB-NXEZZACHSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C(C)(C)O ZINC000820447166 607053041 /nfs/dbraw/zinc/05/30/41/607053041.db2.gz YMDMRMSOVOLGRB-NXEZZACHSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C(C)(C)O ZINC000820447171 607053002 /nfs/dbraw/zinc/05/30/02/607053002.db2.gz YMDMRMSOVOLGRB-UWVGGRQHSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C(C)(C)O ZINC000820447171 607053000 /nfs/dbraw/zinc/05/30/00/607053000.db2.gz YMDMRMSOVOLGRB-UWVGGRQHSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)O ZINC000820447175 607052541 /nfs/dbraw/zinc/05/25/41/607052541.db2.gz YMDMRMSOVOLGRB-VHSXEESVSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)(C)O ZINC000820447175 607052539 /nfs/dbraw/zinc/05/25/39/607052539.db2.gz YMDMRMSOVOLGRB-VHSXEESVSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C(C)(C)O ZINC000820447179 607053053 /nfs/dbraw/zinc/05/30/53/607053053.db2.gz YMDMRMSOVOLGRB-ZJUUUORDSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C(C)(C)O ZINC000820447179 607053052 /nfs/dbraw/zinc/05/30/52/607053052.db2.gz YMDMRMSOVOLGRB-ZJUUUORDSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1=NCCS1 ZINC000820447398 606985440 /nfs/dbraw/zinc/98/54/40/606985440.db2.gz YUMYFTYTZQFKQF-MRVPVSSYSA-N -1 3 381.443 -0.248 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1=NCCS1 ZINC000820447398 606985438 /nfs/dbraw/zinc/98/54/38/606985438.db2.gz YUMYFTYTZQFKQF-MRVPVSSYSA-N -1 3 381.443 -0.248 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1=NCCS1 ZINC000820447401 606985522 /nfs/dbraw/zinc/98/55/22/606985522.db2.gz YUMYFTYTZQFKQF-QMMMGPOBSA-N -1 3 381.443 -0.248 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1=NCCS1 ZINC000820447401 606985520 /nfs/dbraw/zinc/98/55/20/606985520.db2.gz YUMYFTYTZQFKQF-QMMMGPOBSA-N -1 3 381.443 -0.248 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000820447445 606998247 /nfs/dbraw/zinc/99/82/47/606998247.db2.gz ZABDQUCTINKTHZ-CYZMBNFOSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H](O)C1 ZINC000820447445 606998246 /nfs/dbraw/zinc/99/82/46/606998246.db2.gz ZABDQUCTINKTHZ-CYZMBNFOSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000820447449 606998330 /nfs/dbraw/zinc/99/83/30/606998330.db2.gz ZABDQUCTINKTHZ-DRZSPHRISA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@H](O)C1 ZINC000820447449 606998329 /nfs/dbraw/zinc/99/83/29/606998329.db2.gz ZABDQUCTINKTHZ-DRZSPHRISA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000820447452 606998298 /nfs/dbraw/zinc/99/82/98/606998298.db2.gz ZABDQUCTINKTHZ-UHTWSYAYSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H](O)C1 ZINC000820447452 606998297 /nfs/dbraw/zinc/99/82/97/606998297.db2.gz ZABDQUCTINKTHZ-UHTWSYAYSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000820447455 606998209 /nfs/dbraw/zinc/99/82/09/606998209.db2.gz ZABDQUCTINKTHZ-WCFLWFBJSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@@H](O)C1 ZINC000820447455 606998208 /nfs/dbraw/zinc/99/82/08/606998208.db2.gz ZABDQUCTINKTHZ-WCFLWFBJSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1COC(=O)O1 ZINC000820449657 607120717 /nfs/dbraw/zinc/12/07/17/607120717.db2.gz ABNUIDMIACJYDL-PSASIEDQSA-N -1 3 397.369 -0.388 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1COC(=O)O1 ZINC000820449657 607120716 /nfs/dbraw/zinc/12/07/16/607120716.db2.gz ABNUIDMIACJYDL-PSASIEDQSA-N -1 3 397.369 -0.388 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1COC(=O)O1 ZINC000820449658 607120586 /nfs/dbraw/zinc/12/05/86/607120586.db2.gz ABNUIDMIACJYDL-SCZZXKLOSA-N -1 3 397.369 -0.388 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1COC(=O)O1 ZINC000820449658 607120585 /nfs/dbraw/zinc/12/05/85/607120585.db2.gz ABNUIDMIACJYDL-SCZZXKLOSA-N -1 3 397.369 -0.388 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1COC(=O)O1 ZINC000820449659 607120862 /nfs/dbraw/zinc/12/08/62/607120862.db2.gz ABNUIDMIACJYDL-WCBMZHEXSA-N -1 3 397.369 -0.388 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1COC(=O)O1 ZINC000820449659 607120860 /nfs/dbraw/zinc/12/08/60/607120860.db2.gz ABNUIDMIACJYDL-WCBMZHEXSA-N -1 3 397.369 -0.388 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1COC(=O)O1 ZINC000820449660 607120839 /nfs/dbraw/zinc/12/08/39/607120839.db2.gz ABNUIDMIACJYDL-WPRPVWTQSA-N -1 3 397.369 -0.388 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1COC(=O)O1 ZINC000820449660 607120837 /nfs/dbraw/zinc/12/08/37/607120837.db2.gz ABNUIDMIACJYDL-WPRPVWTQSA-N -1 3 397.369 -0.388 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820449673 606661399 /nfs/dbraw/zinc/66/13/99/606661399.db2.gz AEFZSAGUMBHQFO-SECBINFHSA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820449673 606661398 /nfs/dbraw/zinc/66/13/98/606661398.db2.gz AEFZSAGUMBHQFO-SECBINFHSA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820449674 606661302 /nfs/dbraw/zinc/66/13/02/606661302.db2.gz AEFZSAGUMBHQFO-VIFPVBQESA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820449674 606661301 /nfs/dbraw/zinc/66/13/01/606661301.db2.gz AEFZSAGUMBHQFO-VIFPVBQESA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCN(C)C1=O ZINC000820449693 607120411 /nfs/dbraw/zinc/12/04/11/607120411.db2.gz ARSUCBLCKCIXGQ-BXKDBHETSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCN(C)C1=O ZINC000820449693 607120410 /nfs/dbraw/zinc/12/04/10/607120410.db2.gz ARSUCBLCKCIXGQ-BXKDBHETSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCN(C)C1=O ZINC000820449694 607120892 /nfs/dbraw/zinc/12/08/92/607120892.db2.gz ARSUCBLCKCIXGQ-CABZTGNLSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCN(C)C1=O ZINC000820449694 607120890 /nfs/dbraw/zinc/12/08/90/607120890.db2.gz ARSUCBLCKCIXGQ-CABZTGNLSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCN(C)C1=O ZINC000820449695 607120432 /nfs/dbraw/zinc/12/04/32/607120432.db2.gz ARSUCBLCKCIXGQ-JOYOIKCWSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCN(C)C1=O ZINC000820449695 607120431 /nfs/dbraw/zinc/12/04/31/607120431.db2.gz ARSUCBLCKCIXGQ-JOYOIKCWSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCN(C)C1=O ZINC000820449696 607120669 /nfs/dbraw/zinc/12/06/69/607120669.db2.gz ARSUCBLCKCIXGQ-SKDRFNHKSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCN(C)C1=O ZINC000820449696 607120667 /nfs/dbraw/zinc/12/06/67/607120667.db2.gz ARSUCBLCKCIXGQ-SKDRFNHKSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCCNC(N)=O ZINC000820449717 607089584 /nfs/dbraw/zinc/08/95/84/607089584.db2.gz BFPMCWLJLGXOQF-SECBINFHSA-N -1 3 397.417 -0.865 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCCNC(N)=O ZINC000820449717 607089583 /nfs/dbraw/zinc/08/95/83/607089583.db2.gz BFPMCWLJLGXOQF-SECBINFHSA-N -1 3 397.417 -0.865 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCCNC(N)=O ZINC000820449718 607089877 /nfs/dbraw/zinc/08/98/77/607089877.db2.gz BFPMCWLJLGXOQF-VIFPVBQESA-N -1 3 397.417 -0.865 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCCNC(N)=O ZINC000820449718 607089875 /nfs/dbraw/zinc/08/98/75/607089875.db2.gz BFPMCWLJLGXOQF-VIFPVBQESA-N -1 3 397.417 -0.865 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)C(N)=O ZINC000820449751 606998355 /nfs/dbraw/zinc/99/83/55/606998355.db2.gz BZHWKDKTODQJPL-SECBINFHSA-N -1 3 395.445 -0.839 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)C(N)=O ZINC000820449751 606998354 /nfs/dbraw/zinc/99/83/54/606998354.db2.gz BZHWKDKTODQJPL-SECBINFHSA-N -1 3 395.445 -0.839 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)C(N)=O ZINC000820449752 606998139 /nfs/dbraw/zinc/99/81/39/606998139.db2.gz BZHWKDKTODQJPL-VIFPVBQESA-N -1 3 395.445 -0.839 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)C(N)=O ZINC000820449752 606998138 /nfs/dbraw/zinc/99/81/38/606998138.db2.gz BZHWKDKTODQJPL-VIFPVBQESA-N -1 3 395.445 -0.839 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1=CC=NCC1=O ZINC000820449792 607154426 /nfs/dbraw/zinc/15/44/26/607154426.db2.gz CMESEMXPQJKHRD-SECBINFHSA-N -1 3 389.397 -0.305 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1=CC=NCC1=O ZINC000820449792 607154424 /nfs/dbraw/zinc/15/44/24/607154424.db2.gz CMESEMXPQJKHRD-SECBINFHSA-N -1 3 389.397 -0.305 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1=CC=NCC1=O ZINC000820449795 607154733 /nfs/dbraw/zinc/15/47/33/607154733.db2.gz CMESEMXPQJKHRD-VIFPVBQESA-N -1 3 389.397 -0.305 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1=CC=NCC1=O ZINC000820449795 607154732 /nfs/dbraw/zinc/15/47/32/607154732.db2.gz CMESEMXPQJKHRD-VIFPVBQESA-N -1 3 389.397 -0.305 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCn1cncn1 ZINC000820449802 607082857 /nfs/dbraw/zinc/08/28/57/607082857.db2.gz CSHXBCKVDNIJBC-JTQLQIEISA-N -1 3 392.401 -0.632 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCn1cncn1 ZINC000820449802 607082855 /nfs/dbraw/zinc/08/28/55/607082855.db2.gz CSHXBCKVDNIJBC-JTQLQIEISA-N -1 3 392.401 -0.632 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCn1cncn1 ZINC000820449803 607082845 /nfs/dbraw/zinc/08/28/45/607082845.db2.gz CSHXBCKVDNIJBC-SNVBAGLBSA-N -1 3 392.401 -0.632 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCn1cncn1 ZINC000820449803 607082844 /nfs/dbraw/zinc/08/28/44/607082844.db2.gz CSHXBCKVDNIJBC-SNVBAGLBSA-N -1 3 392.401 -0.632 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820449827 606592606 /nfs/dbraw/zinc/59/26/06/606592606.db2.gz CVACPJVZQUJXRA-LLVKDONJSA-N -1 3 393.473 -0.111 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820449827 606592605 /nfs/dbraw/zinc/59/26/05/606592605.db2.gz CVACPJVZQUJXRA-LLVKDONJSA-N -1 3 393.473 -0.111 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000820449830 606592553 /nfs/dbraw/zinc/59/25/53/606592553.db2.gz CVACPJVZQUJXRA-NSHDSACASA-N -1 3 393.473 -0.111 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000820449830 606592552 /nfs/dbraw/zinc/59/25/52/606592552.db2.gz CVACPJVZQUJXRA-NSHDSACASA-N -1 3 393.473 -0.111 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)CO ZINC000820449832 607359708 /nfs/dbraw/zinc/35/97/08/607359708.db2.gz CVBSFPIQHFNFNE-JTQLQIEISA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)CO ZINC000820449832 607359707 /nfs/dbraw/zinc/35/97/07/607359707.db2.gz CVBSFPIQHFNFNE-JTQLQIEISA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(C)(C)CO ZINC000820449835 607359623 /nfs/dbraw/zinc/35/96/23/607359623.db2.gz CVBSFPIQHFNFNE-SNVBAGLBSA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(C)(C)CO ZINC000820449835 607359621 /nfs/dbraw/zinc/35/96/21/607359621.db2.gz CVBSFPIQHFNFNE-SNVBAGLBSA-N -1 3 382.446 -0.332 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)NC1CC1 ZINC000820449856 607120470 /nfs/dbraw/zinc/12/04/70/607120470.db2.gz DBYJGTCCSNWLAJ-SECBINFHSA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)NC1CC1 ZINC000820449856 607120469 /nfs/dbraw/zinc/12/04/69/607120469.db2.gz DBYJGTCCSNWLAJ-SECBINFHSA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)NC1CC1 ZINC000820449858 607120481 /nfs/dbraw/zinc/12/04/81/607120481.db2.gz DBYJGTCCSNWLAJ-VIFPVBQESA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)NC1CC1 ZINC000820449858 607120479 /nfs/dbraw/zinc/12/04/79/607120479.db2.gz DBYJGTCCSNWLAJ-VIFPVBQESA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(CO)CC1 ZINC000820449860 945452793 /nfs/dbraw/zinc/45/27/93/945452793.db2.gz DCXRQHKQOIUXHG-JTQLQIEISA-N -1 3 380.430 -0.578 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CO)CC1 ZINC000820449860 945452786 /nfs/dbraw/zinc/45/27/86/945452786.db2.gz DCXRQHKQOIUXHG-JTQLQIEISA-N -1 3 380.430 -0.578 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(CO)CC1 ZINC000820449862 945453014 /nfs/dbraw/zinc/45/30/14/945453014.db2.gz DCXRQHKQOIUXHG-SNVBAGLBSA-N -1 3 380.430 -0.578 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CO)CC1 ZINC000820449862 945453009 /nfs/dbraw/zinc/45/30/09/945453009.db2.gz DCXRQHKQOIUXHG-SNVBAGLBSA-N -1 3 380.430 -0.578 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccnn1C ZINC000820449878 607018429 /nfs/dbraw/zinc/01/84/29/607018429.db2.gz DJAOQDASLLYNRB-SECBINFHSA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccnn1C ZINC000820449878 607018428 /nfs/dbraw/zinc/01/84/28/607018428.db2.gz DJAOQDASLLYNRB-SECBINFHSA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccnn1C ZINC000820449880 607018458 /nfs/dbraw/zinc/01/84/58/607018458.db2.gz DJAOQDASLLYNRB-VIFPVBQESA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccnn1C ZINC000820449880 607018457 /nfs/dbraw/zinc/01/84/57/607018457.db2.gz DJAOQDASLLYNRB-VIFPVBQESA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820449949 606666987 /nfs/dbraw/zinc/66/69/87/606666987.db2.gz FCMNMUVYZNPUQL-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000820449950 606666795 /nfs/dbraw/zinc/66/67/95/606666795.db2.gz FCMNMUVYZNPUQL-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCOC1=O ZINC000820449985 607120623 /nfs/dbraw/zinc/12/06/23/607120623.db2.gz FSWASADRUVSGOH-GZMMTYOYSA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCOC1=O ZINC000820449985 607120621 /nfs/dbraw/zinc/12/06/21/607120621.db2.gz FSWASADRUVSGOH-GZMMTYOYSA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCOC1=O ZINC000820449987 607120740 /nfs/dbraw/zinc/12/07/40/607120740.db2.gz FSWASADRUVSGOH-KCJUWKMLSA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCOC1=O ZINC000820449987 607120738 /nfs/dbraw/zinc/12/07/38/607120738.db2.gz FSWASADRUVSGOH-KCJUWKMLSA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCOC1=O ZINC000820449989 607120438 /nfs/dbraw/zinc/12/04/38/607120438.db2.gz FSWASADRUVSGOH-KWQFWETISA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCOC1=O ZINC000820449989 607120437 /nfs/dbraw/zinc/12/04/37/607120437.db2.gz FSWASADRUVSGOH-KWQFWETISA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCOC1=O ZINC000820449990 607120646 /nfs/dbraw/zinc/12/06/46/607120646.db2.gz FSWASADRUVSGOH-LDYMZIIASA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCOC1=O ZINC000820449990 607120644 /nfs/dbraw/zinc/12/06/44/607120644.db2.gz FSWASADRUVSGOH-LDYMZIIASA-N -1 3 381.370 -0.608 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(O)CCCC1 ZINC000820449993 607028662 /nfs/dbraw/zinc/02/86/62/607028662.db2.gz FTEWQQRYHASXPW-LLVKDONJSA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(O)CCCC1 ZINC000820449993 607028660 /nfs/dbraw/zinc/02/86/60/607028660.db2.gz FTEWQQRYHASXPW-LLVKDONJSA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(O)CCCC1 ZINC000820449994 607028360 /nfs/dbraw/zinc/02/83/60/607028360.db2.gz FTEWQQRYHASXPW-NSHDSACASA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(O)CCCC1 ZINC000820449994 607028357 /nfs/dbraw/zinc/02/83/57/607028357.db2.gz FTEWQQRYHASXPW-NSHDSACASA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cocn1 ZINC000820450038 607024054 /nfs/dbraw/zinc/02/40/54/607024054.db2.gz GEOJXPQQEIOACZ-SECBINFHSA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cocn1 ZINC000820450038 607024052 /nfs/dbraw/zinc/02/40/52/607024052.db2.gz GEOJXPQQEIOACZ-SECBINFHSA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cocn1 ZINC000820450039 607024398 /nfs/dbraw/zinc/02/43/98/607024398.db2.gz GEOJXPQQEIOACZ-VIFPVBQESA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cocn1 ZINC000820450039 607024396 /nfs/dbraw/zinc/02/43/96/607024396.db2.gz GEOJXPQQEIOACZ-VIFPVBQESA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCOCCO ZINC000820450084 607120850 /nfs/dbraw/zinc/12/08/50/607120850.db2.gz GXLLAFYYQVYZFU-JTQLQIEISA-N -1 3 385.402 -0.914 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCOCCO ZINC000820450084 607120848 /nfs/dbraw/zinc/12/08/48/607120848.db2.gz GXLLAFYYQVYZFU-JTQLQIEISA-N -1 3 385.402 -0.914 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCOCCO ZINC000820450086 607120762 /nfs/dbraw/zinc/12/07/62/607120762.db2.gz GXLLAFYYQVYZFU-SNVBAGLBSA-N -1 3 385.402 -0.914 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCOCCO ZINC000820450086 607120760 /nfs/dbraw/zinc/12/07/60/607120760.db2.gz GXLLAFYYQVYZFU-SNVBAGLBSA-N -1 3 385.402 -0.914 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cc[nH]n1 ZINC000820450088 606995363 /nfs/dbraw/zinc/99/53/63/606995363.db2.gz GXQDGUXALAODNU-SECBINFHSA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cc[nH]n1 ZINC000820450088 606995362 /nfs/dbraw/zinc/99/53/62/606995362.db2.gz GXQDGUXALAODNU-SECBINFHSA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cc[nH]n1 ZINC000820450090 606995227 /nfs/dbraw/zinc/99/52/27/606995227.db2.gz GXQDGUXALAODNU-VIFPVBQESA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cc[nH]n1 ZINC000820450090 606995225 /nfs/dbraw/zinc/99/52/25/606995225.db2.gz GXQDGUXALAODNU-VIFPVBQESA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccon1 ZINC000820450173 607052710 /nfs/dbraw/zinc/05/27/10/607052710.db2.gz HSOZSYLZSUHEIU-SECBINFHSA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccon1 ZINC000820450173 607052708 /nfs/dbraw/zinc/05/27/08/607052708.db2.gz HSOZSYLZSUHEIU-SECBINFHSA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccon1 ZINC000820450175 607052786 /nfs/dbraw/zinc/05/27/86/607052786.db2.gz HSOZSYLZSUHEIU-VIFPVBQESA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccon1 ZINC000820450175 607052784 /nfs/dbraw/zinc/05/27/84/607052784.db2.gz HSOZSYLZSUHEIU-VIFPVBQESA-N -1 3 377.386 -0.162 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCn1cccn1 ZINC000820450197 607081108 /nfs/dbraw/zinc/08/11/08/607081108.db2.gz HWHARCRTNANTLZ-LLVKDONJSA-N -1 3 391.413 -0.027 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCn1cccn1 ZINC000820450197 607081107 /nfs/dbraw/zinc/08/11/07/607081107.db2.gz HWHARCRTNANTLZ-LLVKDONJSA-N -1 3 391.413 -0.027 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCn1cccn1 ZINC000820450199 607081067 /nfs/dbraw/zinc/08/10/67/607081067.db2.gz HWHARCRTNANTLZ-NSHDSACASA-N -1 3 391.413 -0.027 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCn1cccn1 ZINC000820450199 607081065 /nfs/dbraw/zinc/08/10/65/607081065.db2.gz HWHARCRTNANTLZ-NSHDSACASA-N -1 3 391.413 -0.027 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ncnn1C ZINC000820450292 607185136 /nfs/dbraw/zinc/18/51/36/607185136.db2.gz JFYLMNOGLQPNKS-SECBINFHSA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ncnn1C ZINC000820450292 607185135 /nfs/dbraw/zinc/18/51/35/607185135.db2.gz JFYLMNOGLQPNKS-SECBINFHSA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1ncnn1C ZINC000820450293 607185044 /nfs/dbraw/zinc/18/50/44/607185044.db2.gz JFYLMNOGLQPNKS-VIFPVBQESA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1ncnn1C ZINC000820450293 607185043 /nfs/dbraw/zinc/18/50/43/607185043.db2.gz JFYLMNOGLQPNKS-VIFPVBQESA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCO1 ZINC000820450355 606976402 /nfs/dbraw/zinc/97/64/02/606976402.db2.gz JSMXDTPVHWWPFZ-CMPLNLGQSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCO1 ZINC000820450355 606976401 /nfs/dbraw/zinc/97/64/01/606976401.db2.gz JSMXDTPVHWWPFZ-CMPLNLGQSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCO1 ZINC000820450358 606976713 /nfs/dbraw/zinc/97/67/13/606976713.db2.gz JSMXDTPVHWWPFZ-JQWIXIFHSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCO1 ZINC000820450358 606976711 /nfs/dbraw/zinc/97/67/11/606976711.db2.gz JSMXDTPVHWWPFZ-JQWIXIFHSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCCO1 ZINC000820450360 606976788 /nfs/dbraw/zinc/97/67/88/606976788.db2.gz JSMXDTPVHWWPFZ-PWSUYJOCSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCCO1 ZINC000820450360 606976786 /nfs/dbraw/zinc/97/67/86/606976786.db2.gz JSMXDTPVHWWPFZ-PWSUYJOCSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCCO1 ZINC000820450362 606976608 /nfs/dbraw/zinc/97/66/08/606976608.db2.gz JSMXDTPVHWWPFZ-ZYHUDNBSSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCCO1 ZINC000820450362 606976606 /nfs/dbraw/zinc/97/66/06/606976606.db2.gz JSMXDTPVHWWPFZ-ZYHUDNBSSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000820450426 607049642 /nfs/dbraw/zinc/04/96/42/607049642.db2.gz KJVHQAXOEDENAC-JKOKRWQUSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000820450426 607049641 /nfs/dbraw/zinc/04/96/41/607049641.db2.gz KJVHQAXOEDENAC-JKOKRWQUSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000820450427 607049515 /nfs/dbraw/zinc/04/95/15/607049515.db2.gz KJVHQAXOEDENAC-SUHUHFCYSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000820450427 607049513 /nfs/dbraw/zinc/04/95/13/607049513.db2.gz KJVHQAXOEDENAC-SUHUHFCYSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000820450428 607049656 /nfs/dbraw/zinc/04/96/56/607049656.db2.gz KJVHQAXOEDENAC-VHRBIJSZSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000820450428 607049655 /nfs/dbraw/zinc/04/96/55/607049655.db2.gz KJVHQAXOEDENAC-VHRBIJSZSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H]1CCC[C@H]1O ZINC000820450429 607049321 /nfs/dbraw/zinc/04/93/21/607049321.db2.gz KJVHQAXOEDENAC-ZKYQVNSYSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H]1CCC[C@H]1O ZINC000820450429 607049319 /nfs/dbraw/zinc/04/93/19/607049319.db2.gz KJVHQAXOEDENAC-ZKYQVNSYSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C)COC1 ZINC000820450469 607026124 /nfs/dbraw/zinc/02/61/24/607026124.db2.gz KTYNHGOQWGTADV-JTQLQIEISA-N -1 3 380.430 -0.314 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C)COC1 ZINC000820450469 607026121 /nfs/dbraw/zinc/02/61/21/607026121.db2.gz KTYNHGOQWGTADV-JTQLQIEISA-N -1 3 380.430 -0.314 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C)COC1 ZINC000820450471 607025831 /nfs/dbraw/zinc/02/58/31/607025831.db2.gz KTYNHGOQWGTADV-SNVBAGLBSA-N -1 3 380.430 -0.314 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C)COC1 ZINC000820450471 607025830 /nfs/dbraw/zinc/02/58/30/607025830.db2.gz KTYNHGOQWGTADV-SNVBAGLBSA-N -1 3 380.430 -0.314 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cnn(C)c1 ZINC000820450490 607000510 /nfs/dbraw/zinc/00/05/10/607000510.db2.gz LLMLZVCFDAWUDI-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cnn(C)c1 ZINC000820450490 607000509 /nfs/dbraw/zinc/00/05/09/607000509.db2.gz LLMLZVCFDAWUDI-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1cnn(C)c1 ZINC000820450492 607000970 /nfs/dbraw/zinc/00/09/70/607000970.db2.gz LLMLZVCFDAWUDI-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1cnn(C)c1 ZINC000820450492 607000968 /nfs/dbraw/zinc/00/09/68/607000968.db2.gz LLMLZVCFDAWUDI-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@](C)(O)C1CC1 ZINC000820450575 607050965 /nfs/dbraw/zinc/05/09/65/607050965.db2.gz NACXOVIIFYGESR-HWPZZCPQSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@](C)(O)C1CC1 ZINC000820450575 607050964 /nfs/dbraw/zinc/05/09/64/607050964.db2.gz NACXOVIIFYGESR-HWPZZCPQSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@](C)(O)C1CC1 ZINC000820450576 607051088 /nfs/dbraw/zinc/05/10/88/607051088.db2.gz NACXOVIIFYGESR-MGPLVRAMSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@](C)(O)C1CC1 ZINC000820450576 607051086 /nfs/dbraw/zinc/05/10/86/607051086.db2.gz NACXOVIIFYGESR-MGPLVRAMSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@](C)(O)C1CC1 ZINC000820450577 607051330 /nfs/dbraw/zinc/05/13/30/607051330.db2.gz NACXOVIIFYGESR-QFYYESIMSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@](C)(O)C1CC1 ZINC000820450577 607051329 /nfs/dbraw/zinc/05/13/29/607051329.db2.gz NACXOVIIFYGESR-QFYYESIMSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@](C)(O)C1CC1 ZINC000820450578 607051349 /nfs/dbraw/zinc/05/13/49/607051349.db2.gz NACXOVIIFYGESR-QLJPJBMISA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@](C)(O)C1CC1 ZINC000820450578 607051347 /nfs/dbraw/zinc/05/13/47/607051347.db2.gz NACXOVIIFYGESR-QLJPJBMISA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820450587 606673381 /nfs/dbraw/zinc/67/33/81/606673381.db2.gz NGWRDQWTOALNHY-JTQLQIEISA-N -1 3 390.429 -0.070 20 0 GBADHM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820450587 606673380 /nfs/dbraw/zinc/67/33/80/606673380.db2.gz NGWRDQWTOALNHY-JTQLQIEISA-N -1 3 390.429 -0.070 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)c1cccc(-c2nn[n-]n2)c1 ZINC000820450588 606673534 /nfs/dbraw/zinc/67/35/34/606673534.db2.gz NGWRDQWTOALNHY-SNVBAGLBSA-N -1 3 390.429 -0.070 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)c1cccc(-c2nnn[n-]2)c1 ZINC000820450588 606673533 /nfs/dbraw/zinc/67/35/33/606673533.db2.gz NGWRDQWTOALNHY-SNVBAGLBSA-N -1 3 390.429 -0.070 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCn1cccn1 ZINC000820450635 607001942 /nfs/dbraw/zinc/00/19/42/607001942.db2.gz NSYQXRARLLCEAD-LLVKDONJSA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCn1cccn1 ZINC000820450635 607001940 /nfs/dbraw/zinc/00/19/40/607001940.db2.gz NSYQXRARLLCEAD-LLVKDONJSA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCn1cccn1 ZINC000820450637 607001796 /nfs/dbraw/zinc/00/17/96/607001796.db2.gz NSYQXRARLLCEAD-NSHDSACASA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCn1cccn1 ZINC000820450637 607001794 /nfs/dbraw/zinc/00/17/94/607001794.db2.gz NSYQXRARLLCEAD-NSHDSACASA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H](C)C(=O)N(C)C ZINC000820450656 607120657 /nfs/dbraw/zinc/12/06/57/607120657.db2.gz NZIWAMXRLKOVSO-NXEZZACHSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H](C)C(=O)N(C)C ZINC000820450656 607120655 /nfs/dbraw/zinc/12/06/55/607120655.db2.gz NZIWAMXRLKOVSO-NXEZZACHSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H](C)C(=O)N(C)C ZINC000820450657 607120729 /nfs/dbraw/zinc/12/07/29/607120729.db2.gz NZIWAMXRLKOVSO-UWVGGRQHSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H](C)C(=O)N(C)C ZINC000820450657 607120727 /nfs/dbraw/zinc/12/07/27/607120727.db2.gz NZIWAMXRLKOVSO-UWVGGRQHSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)C ZINC000820450658 607120441 /nfs/dbraw/zinc/12/04/41/607120441.db2.gz NZIWAMXRLKOVSO-VHSXEESVSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)C ZINC000820450658 607120440 /nfs/dbraw/zinc/12/04/40/607120440.db2.gz NZIWAMXRLKOVSO-VHSXEESVSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H](C)C(=O)N(C)C ZINC000820450659 607120524 /nfs/dbraw/zinc/12/05/24/607120524.db2.gz NZIWAMXRLKOVSO-ZJUUUORDSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H](C)C(=O)N(C)C ZINC000820450659 607120522 /nfs/dbraw/zinc/12/05/22/607120522.db2.gz NZIWAMXRLKOVSO-ZJUUUORDSA-N -1 3 396.429 -0.447 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCOC1 ZINC000820450702 607022473 /nfs/dbraw/zinc/02/24/73/607022473.db2.gz OYNCVSWJRKMODI-CMPLNLGQSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCOC1 ZINC000820450702 607022472 /nfs/dbraw/zinc/02/24/72/607022472.db2.gz OYNCVSWJRKMODI-CMPLNLGQSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCOC1 ZINC000820450703 607022710 /nfs/dbraw/zinc/02/27/10/607022710.db2.gz OYNCVSWJRKMODI-JQWIXIFHSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCOC1 ZINC000820450703 607022708 /nfs/dbraw/zinc/02/27/08/607022708.db2.gz OYNCVSWJRKMODI-JQWIXIFHSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCOC1 ZINC000820450704 607022371 /nfs/dbraw/zinc/02/23/71/607022371.db2.gz OYNCVSWJRKMODI-PWSUYJOCSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCOC1 ZINC000820450704 607022369 /nfs/dbraw/zinc/02/23/69/607022369.db2.gz OYNCVSWJRKMODI-PWSUYJOCSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCOC1 ZINC000820450707 607022604 /nfs/dbraw/zinc/02/26/04/607022604.db2.gz OYNCVSWJRKMODI-ZYHUDNBSSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCOC1 ZINC000820450707 607022603 /nfs/dbraw/zinc/02/26/03/607022603.db2.gz OYNCVSWJRKMODI-ZYHUDNBSSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCC(=O)N(C)C ZINC000820450780 606998172 /nfs/dbraw/zinc/99/81/72/606998172.db2.gz PBBCMCNECNJHTD-JTQLQIEISA-N -1 3 395.445 -0.872 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCC(=O)N(C)C ZINC000820450780 606998171 /nfs/dbraw/zinc/99/81/71/606998171.db2.gz PBBCMCNECNJHTD-JTQLQIEISA-N -1 3 395.445 -0.872 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCC(=O)N(C)C ZINC000820450781 606998318 /nfs/dbraw/zinc/99/83/18/606998318.db2.gz PBBCMCNECNJHTD-SNVBAGLBSA-N -1 3 395.445 -0.872 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCC(=O)N(C)C ZINC000820450781 606998316 /nfs/dbraw/zinc/99/83/16/606998316.db2.gz PBBCMCNECNJHTD-SNVBAGLBSA-N -1 3 395.445 -0.872 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(C)c1 ZINC000820450782 606993255 /nfs/dbraw/zinc/99/32/55/606993255.db2.gz PBBXLTGJAFLIBD-SECBINFHSA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(C)c1 ZINC000820450782 606993253 /nfs/dbraw/zinc/99/32/53/606993253.db2.gz PBBXLTGJAFLIBD-SECBINFHSA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cnn(C)c1 ZINC000820450783 606993268 /nfs/dbraw/zinc/99/32/68/606993268.db2.gz PBBXLTGJAFLIBD-VIFPVBQESA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cnn(C)c1 ZINC000820450783 606993267 /nfs/dbraw/zinc/99/32/67/606993267.db2.gz PBBXLTGJAFLIBD-VIFPVBQESA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000820450796 607156460 /nfs/dbraw/zinc/15/64/60/607156460.db2.gz PFNVXBBKQNOBGN-GMXVVIOVSA-N -1 3 392.441 -0.413 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000820450796 607156459 /nfs/dbraw/zinc/15/64/59/607156459.db2.gz PFNVXBBKQNOBGN-GMXVVIOVSA-N -1 3 392.441 -0.413 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000820450797 607156365 /nfs/dbraw/zinc/15/63/65/607156365.db2.gz PFNVXBBKQNOBGN-NTZNESFSSA-N -1 3 392.441 -0.413 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000820450797 607156364 /nfs/dbraw/zinc/15/63/64/607156364.db2.gz PFNVXBBKQNOBGN-NTZNESFSSA-N -1 3 392.441 -0.413 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1COCCO1 ZINC000820450802 607084187 /nfs/dbraw/zinc/08/41/87/607084187.db2.gz PGDOSTFMDUEKNK-CMPLNLGQSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1COCCO1 ZINC000820450802 607084186 /nfs/dbraw/zinc/08/41/86/607084186.db2.gz PGDOSTFMDUEKNK-CMPLNLGQSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1COCCO1 ZINC000820450803 607084596 /nfs/dbraw/zinc/08/45/96/607084596.db2.gz PGDOSTFMDUEKNK-JQWIXIFHSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1COCCO1 ZINC000820450803 607084594 /nfs/dbraw/zinc/08/45/94/607084594.db2.gz PGDOSTFMDUEKNK-JQWIXIFHSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1COCCO1 ZINC000820450804 607084288 /nfs/dbraw/zinc/08/42/88/607084288.db2.gz PGDOSTFMDUEKNK-PWSUYJOCSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1COCCO1 ZINC000820450804 607084286 /nfs/dbraw/zinc/08/42/86/607084286.db2.gz PGDOSTFMDUEKNK-PWSUYJOCSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1COCCO1 ZINC000820450805 607084610 /nfs/dbraw/zinc/08/46/10/607084610.db2.gz PGDOSTFMDUEKNK-ZYHUDNBSSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1COCCO1 ZINC000820450805 607084609 /nfs/dbraw/zinc/08/46/09/607084609.db2.gz PGDOSTFMDUEKNK-ZYHUDNBSSA-N -1 3 397.413 -0.508 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCCNC1=O ZINC000820450822 607120602 /nfs/dbraw/zinc/12/06/02/607120602.db2.gz PLHAIMRBCYEBRT-BXKDBHETSA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCCNC1=O ZINC000820450822 607120600 /nfs/dbraw/zinc/12/06/00/607120600.db2.gz PLHAIMRBCYEBRT-BXKDBHETSA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCCNC1=O ZINC000820450823 607120596 /nfs/dbraw/zinc/12/05/96/607120596.db2.gz PLHAIMRBCYEBRT-CABZTGNLSA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCCNC1=O ZINC000820450823 607120595 /nfs/dbraw/zinc/12/05/95/607120595.db2.gz PLHAIMRBCYEBRT-CABZTGNLSA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CCCNC1=O ZINC000820450824 607120618 /nfs/dbraw/zinc/12/06/18/607120618.db2.gz PLHAIMRBCYEBRT-JOYOIKCWSA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CCCNC1=O ZINC000820450824 607120616 /nfs/dbraw/zinc/12/06/16/607120616.db2.gz PLHAIMRBCYEBRT-JOYOIKCWSA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CCCNC1=O ZINC000820450825 607120833 /nfs/dbraw/zinc/12/08/33/607120833.db2.gz PLHAIMRBCYEBRT-SKDRFNHKSA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CCCNC1=O ZINC000820450825 607120831 /nfs/dbraw/zinc/12/08/31/607120831.db2.gz PLHAIMRBCYEBRT-SKDRFNHKSA-N -1 3 394.413 -0.645 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(O)CCC1 ZINC000820450833 607041904 /nfs/dbraw/zinc/04/19/04/607041904.db2.gz PPROELPYIWPLGN-JTQLQIEISA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(O)CCC1 ZINC000820450833 607041903 /nfs/dbraw/zinc/04/19/03/607041903.db2.gz PPROELPYIWPLGN-JTQLQIEISA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(O)CCC1 ZINC000820450834 607041895 /nfs/dbraw/zinc/04/18/95/607041895.db2.gz PPROELPYIWPLGN-SNVBAGLBSA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(O)CCC1 ZINC000820450834 607041894 /nfs/dbraw/zinc/04/18/94/607041894.db2.gz PPROELPYIWPLGN-SNVBAGLBSA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ncc[nH]1 ZINC000820450843 607025826 /nfs/dbraw/zinc/02/58/26/607025826.db2.gz PSELENYERAQHRU-SECBINFHSA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ncc[nH]1 ZINC000820450843 607025825 /nfs/dbraw/zinc/02/58/25/607025825.db2.gz PSELENYERAQHRU-SECBINFHSA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ncc[nH]1 ZINC000820450845 607025692 /nfs/dbraw/zinc/02/56/92/607025692.db2.gz PSELENYERAQHRU-VIFPVBQESA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ncc[nH]1 ZINC000820450845 607025691 /nfs/dbraw/zinc/02/56/91/607025691.db2.gz PSELENYERAQHRU-VIFPVBQESA-N -1 3 376.402 -0.427 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCn1ccnc1 ZINC000820451000 606995111 /nfs/dbraw/zinc/99/51/11/606995111.db2.gz QQWYQNZIQJSKIZ-LLVKDONJSA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCn1ccnc1 ZINC000820451000 606995110 /nfs/dbraw/zinc/99/51/10/606995110.db2.gz QQWYQNZIQJSKIZ-LLVKDONJSA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCn1ccnc1 ZINC000820451001 606995369 /nfs/dbraw/zinc/99/53/69/606995369.db2.gz QQWYQNZIQJSKIZ-NSHDSACASA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCn1ccnc1 ZINC000820451001 606995368 /nfs/dbraw/zinc/99/53/68/606995368.db2.gz QQWYQNZIQJSKIZ-NSHDSACASA-N -1 3 390.429 -0.454 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCC(=O)N(C)C ZINC000820451038 607082559 /nfs/dbraw/zinc/08/25/59/607082559.db2.gz RGMAXJAXXIEBTC-JTQLQIEISA-N -1 3 396.429 -0.445 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCC(=O)N(C)C ZINC000820451038 607082557 /nfs/dbraw/zinc/08/25/57/607082557.db2.gz RGMAXJAXXIEBTC-JTQLQIEISA-N -1 3 396.429 -0.445 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCC(=O)N(C)C ZINC000820451039 607082864 /nfs/dbraw/zinc/08/28/64/607082864.db2.gz RGMAXJAXXIEBTC-SNVBAGLBSA-N -1 3 396.429 -0.445 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCC(=O)N(C)C ZINC000820451039 607082861 /nfs/dbraw/zinc/08/28/61/607082861.db2.gz RGMAXJAXXIEBTC-SNVBAGLBSA-N -1 3 396.429 -0.445 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccn(C)n1 ZINC000820451052 606985321 /nfs/dbraw/zinc/98/53/21/606985321.db2.gz RRCSYYTWBCVKCO-SECBINFHSA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccn(C)n1 ZINC000820451052 606985320 /nfs/dbraw/zinc/98/53/20/606985320.db2.gz RRCSYYTWBCVKCO-SECBINFHSA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccn(C)n1 ZINC000820451053 606985158 /nfs/dbraw/zinc/98/51/58/606985158.db2.gz RRCSYYTWBCVKCO-VIFPVBQESA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccn(C)n1 ZINC000820451053 606985156 /nfs/dbraw/zinc/98/51/56/606985156.db2.gz RRCSYYTWBCVKCO-VIFPVBQESA-N -1 3 376.402 -0.094 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000820451078 607049680 /nfs/dbraw/zinc/04/96/80/607049680.db2.gz SLAFZSBDYZRFRI-CAOHOXQTSA-N -1 3 398.470 -0.829 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000820451078 607049679 /nfs/dbraw/zinc/04/96/79/607049679.db2.gz SLAFZSBDYZRFRI-CAOHOXQTSA-N -1 3 398.470 -0.829 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000820451079 607049597 /nfs/dbraw/zinc/04/95/97/607049597.db2.gz SLAFZSBDYZRFRI-CFUNISHFSA-N -1 3 398.470 -0.829 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000820451079 607049596 /nfs/dbraw/zinc/04/95/96/607049596.db2.gz SLAFZSBDYZRFRI-CFUNISHFSA-N -1 3 398.470 -0.829 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC[S@](=O)C1 ZINC000820451193 607049636 /nfs/dbraw/zinc/04/96/36/607049636.db2.gz SLAFZSBDYZRFRI-ULCYMTDVSA-N -1 3 398.470 -0.829 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC[S@](=O)C1 ZINC000820451193 607049635 /nfs/dbraw/zinc/04/96/35/607049635.db2.gz SLAFZSBDYZRFRI-ULCYMTDVSA-N -1 3 398.470 -0.829 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000820451195 607049173 /nfs/dbraw/zinc/04/91/73/607049173.db2.gz SLAFZSBDYZRFRI-YKMWJWQWSA-N -1 3 398.470 -0.829 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000820451195 607049172 /nfs/dbraw/zinc/04/91/72/607049172.db2.gz SLAFZSBDYZRFRI-YKMWJWQWSA-N -1 3 398.470 -0.829 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[S@](C)=O ZINC000820451197 607022613 /nfs/dbraw/zinc/02/26/13/607022613.db2.gz SMNDKPQDLMJTLQ-ITSYKEIMSA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC[S@](C)=O ZINC000820451197 607022612 /nfs/dbraw/zinc/02/26/12/607022612.db2.gz SMNDKPQDLMJTLQ-ITSYKEIMSA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[S@@](C)=O ZINC000820451199 607023251 /nfs/dbraw/zinc/02/32/51/607023251.db2.gz SMNDKPQDLMJTLQ-MXUQEVIESA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC[S@@](C)=O ZINC000820451199 607023250 /nfs/dbraw/zinc/02/32/50/607023250.db2.gz SMNDKPQDLMJTLQ-MXUQEVIESA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[S@@](C)=O ZINC000820451201 607022861 /nfs/dbraw/zinc/02/28/61/607022861.db2.gz SMNDKPQDLMJTLQ-UZKFNYRNSA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC[S@@](C)=O ZINC000820451201 607022859 /nfs/dbraw/zinc/02/28/59/607022859.db2.gz SMNDKPQDLMJTLQ-UZKFNYRNSA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC[S@](C)=O ZINC000820451203 607023313 /nfs/dbraw/zinc/02/33/13/607023313.db2.gz SMNDKPQDLMJTLQ-VHMAXNEBSA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC[S@](C)=O ZINC000820451203 607023312 /nfs/dbraw/zinc/02/33/12/607023312.db2.gz SMNDKPQDLMJTLQ-VHMAXNEBSA-N -1 3 386.459 -0.972 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ncc[nH]1 ZINC000820451219 607024253 /nfs/dbraw/zinc/02/42/53/607024253.db2.gz SQSPVGBUDBDRNF-JTQLQIEISA-N -1 3 390.429 -0.385 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ncc[nH]1 ZINC000820451219 607024251 /nfs/dbraw/zinc/02/42/51/607024251.db2.gz SQSPVGBUDBDRNF-JTQLQIEISA-N -1 3 390.429 -0.385 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ncc[nH]1 ZINC000820451221 607024328 /nfs/dbraw/zinc/02/43/28/607024328.db2.gz SQSPVGBUDBDRNF-SNVBAGLBSA-N -1 3 390.429 -0.385 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ncc[nH]1 ZINC000820451221 607024326 /nfs/dbraw/zinc/02/43/26/607024326.db2.gz SQSPVGBUDBDRNF-SNVBAGLBSA-N -1 3 390.429 -0.385 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCOCC1 ZINC000820451227 945453307 /nfs/dbraw/zinc/45/33/07/945453307.db2.gz STCXCTCDUPVULL-JTQLQIEISA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCOCC1 ZINC000820451227 945453304 /nfs/dbraw/zinc/45/33/04/945453304.db2.gz STCXCTCDUPVULL-JTQLQIEISA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1CCOCC1 ZINC000820451229 945453219 /nfs/dbraw/zinc/45/32/19/945453219.db2.gz STCXCTCDUPVULL-SNVBAGLBSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1CCOCC1 ZINC000820451229 945453216 /nfs/dbraw/zinc/45/32/16/945453216.db2.gz STCXCTCDUPVULL-SNVBAGLBSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCCC(N)=O ZINC000820451251 607091564 /nfs/dbraw/zinc/09/15/64/607091564.db2.gz TYCIDKAVYVHNAC-SECBINFHSA-N -1 3 382.402 -0.658 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCCC(N)=O ZINC000820451251 607091563 /nfs/dbraw/zinc/09/15/63/607091563.db2.gz TYCIDKAVYVHNAC-SECBINFHSA-N -1 3 382.402 -0.658 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCCC(N)=O ZINC000820451253 607091383 /nfs/dbraw/zinc/09/13/83/607091383.db2.gz TYCIDKAVYVHNAC-VIFPVBQESA-N -1 3 382.402 -0.658 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCCC(N)=O ZINC000820451253 607091382 /nfs/dbraw/zinc/09/13/82/607091382.db2.gz TYCIDKAVYVHNAC-VIFPVBQESA-N -1 3 382.402 -0.658 20 0 GBADHM CC(C)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820451287 607120426 /nfs/dbraw/zinc/12/04/26/607120426.db2.gz UPOWYQYZOCQFHE-BXKDBHETSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820451287 607120425 /nfs/dbraw/zinc/12/04/25/607120425.db2.gz UPOWYQYZOCQFHE-BXKDBHETSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820451288 607120843 /nfs/dbraw/zinc/12/08/43/607120843.db2.gz UPOWYQYZOCQFHE-CABZTGNLSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820451288 607120841 /nfs/dbraw/zinc/12/08/41/607120841.db2.gz UPOWYQYZOCQFHE-CABZTGNLSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820451290 607120420 /nfs/dbraw/zinc/12/04/20/607120420.db2.gz UPOWYQYZOCQFHE-JOYOIKCWSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820451290 607120419 /nfs/dbraw/zinc/12/04/19/607120419.db2.gz UPOWYQYZOCQFHE-JOYOIKCWSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820451292 607120734 /nfs/dbraw/zinc/12/07/34/607120734.db2.gz UPOWYQYZOCQFHE-SKDRFNHKSA-N -1 3 396.429 -0.413 20 0 GBADHM CC(C)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820451292 607120732 /nfs/dbraw/zinc/12/07/32/607120732.db2.gz UPOWYQYZOCQFHE-SKDRFNHKSA-N -1 3 396.429 -0.413 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1c[nH]ccc1=O ZINC000820451433 607020246 /nfs/dbraw/zinc/02/02/46/607020246.db2.gz VNBKDXGJRDLKIM-SECBINFHSA-N -1 3 389.397 -0.140 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1c[nH]ccc1=O ZINC000820451433 607020245 /nfs/dbraw/zinc/02/02/45/607020245.db2.gz VNBKDXGJRDLKIM-SECBINFHSA-N -1 3 389.397 -0.140 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1c[nH]ccc1=O ZINC000820451435 607020351 /nfs/dbraw/zinc/02/03/51/607020351.db2.gz VNBKDXGJRDLKIM-VIFPVBQESA-N -1 3 389.397 -0.140 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1c[nH]ccc1=O ZINC000820451435 607020350 /nfs/dbraw/zinc/02/03/50/607020350.db2.gz VNBKDXGJRDLKIM-VIFPVBQESA-N -1 3 389.397 -0.140 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](O)C1CC1 ZINC000820451607 607357005 /nfs/dbraw/zinc/35/70/05/607357005.db2.gz WCAMHSNZAIUDAG-NOZJJQNGSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](O)C1CC1 ZINC000820451607 607357003 /nfs/dbraw/zinc/35/70/03/607357003.db2.gz WCAMHSNZAIUDAG-NOZJJQNGSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](O)C1CC1 ZINC000820451610 607357246 /nfs/dbraw/zinc/35/72/46/607357246.db2.gz WCAMHSNZAIUDAG-RNCFNFMXSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](O)C1CC1 ZINC000820451610 607357244 /nfs/dbraw/zinc/35/72/44/607357244.db2.gz WCAMHSNZAIUDAG-RNCFNFMXSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](O)C1CC1 ZINC000820451613 607356927 /nfs/dbraw/zinc/35/69/27/607356927.db2.gz WCAMHSNZAIUDAG-TVQRCGJNSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H](O)C1CC1 ZINC000820451613 607356925 /nfs/dbraw/zinc/35/69/25/607356925.db2.gz WCAMHSNZAIUDAG-TVQRCGJNSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](O)C1CC1 ZINC000820451614 607357041 /nfs/dbraw/zinc/35/70/41/607357041.db2.gz WCAMHSNZAIUDAG-ZANVPECISA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](O)C1CC1 ZINC000820451614 607357039 /nfs/dbraw/zinc/35/70/39/607357039.db2.gz WCAMHSNZAIUDAG-ZANVPECISA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1nccn1C ZINC000820451632 945454469 /nfs/dbraw/zinc/45/44/69/945454469.db2.gz WMQIFQNLUOZEGV-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1nccn1C ZINC000820451632 945454464 /nfs/dbraw/zinc/45/44/64/945454464.db2.gz WMQIFQNLUOZEGV-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1nccn1C ZINC000820451634 945456082 /nfs/dbraw/zinc/45/60/82/945456082.db2.gz WMQIFQNLUOZEGV-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1nccn1C ZINC000820451634 945456074 /nfs/dbraw/zinc/45/60/74/945456074.db2.gz WMQIFQNLUOZEGV-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)N(C)C ZINC000820451637 607082916 /nfs/dbraw/zinc/08/29/16/607082916.db2.gz WMRSSJCGTNPGKX-SECBINFHSA-N -1 3 382.402 -0.835 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)N(C)C ZINC000820451637 607082914 /nfs/dbraw/zinc/08/29/14/607082914.db2.gz WMRSSJCGTNPGKX-SECBINFHSA-N -1 3 382.402 -0.835 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)N(C)C ZINC000820451639 607082552 /nfs/dbraw/zinc/08/25/52/607082552.db2.gz WMRSSJCGTNPGKX-VIFPVBQESA-N -1 3 382.402 -0.835 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)N(C)C ZINC000820451639 607082551 /nfs/dbraw/zinc/08/25/51/607082551.db2.gz WMRSSJCGTNPGKX-VIFPVBQESA-N -1 3 382.402 -0.835 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)N1CCC1 ZINC000820451641 607120417 /nfs/dbraw/zinc/12/04/17/607120417.db2.gz WNAOGRXPRGBPDO-JTQLQIEISA-N -1 3 394.413 -0.691 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)N1CCC1 ZINC000820451641 607120416 /nfs/dbraw/zinc/12/04/16/607120416.db2.gz WNAOGRXPRGBPDO-JTQLQIEISA-N -1 3 394.413 -0.691 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC(=O)N1CCC1 ZINC000820451644 607120592 /nfs/dbraw/zinc/12/05/92/607120592.db2.gz WNAOGRXPRGBPDO-SNVBAGLBSA-N -1 3 394.413 -0.691 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC(=O)N1CCC1 ZINC000820451644 607120590 /nfs/dbraw/zinc/12/05/90/607120590.db2.gz WNAOGRXPRGBPDO-SNVBAGLBSA-N -1 3 394.413 -0.691 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1nncn1C ZINC000820451825 607322261 /nfs/dbraw/zinc/32/22/61/607322261.db2.gz XEXWWBKLHFCMQA-SECBINFHSA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1nncn1C ZINC000820451825 607322260 /nfs/dbraw/zinc/32/22/60/607322260.db2.gz XEXWWBKLHFCMQA-SECBINFHSA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1nncn1C ZINC000820451827 607322272 /nfs/dbraw/zinc/32/22/72/607322272.db2.gz XEXWWBKLHFCMQA-VIFPVBQESA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1nncn1C ZINC000820451827 607322271 /nfs/dbraw/zinc/32/22/71/607322271.db2.gz XEXWWBKLHFCMQA-VIFPVBQESA-N -1 3 392.401 -0.595 20 0 GBADHM CC(C)[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451939 607324563 /nfs/dbraw/zinc/32/45/63/607324563.db2.gz YMISNBABDCLALB-GWCFXTLKSA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451939 607324562 /nfs/dbraw/zinc/32/45/62/607324562.db2.gz YMISNBABDCLALB-GWCFXTLKSA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451941 607324456 /nfs/dbraw/zinc/32/44/56/607324456.db2.gz YMISNBABDCLALB-GXFFZTMASA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451941 607324455 /nfs/dbraw/zinc/32/44/55/607324455.db2.gz YMISNBABDCLALB-GXFFZTMASA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451943 607324640 /nfs/dbraw/zinc/32/46/40/607324640.db2.gz YMISNBABDCLALB-MFKMUULPSA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451943 607324639 /nfs/dbraw/zinc/32/46/39/607324639.db2.gz YMISNBABDCLALB-MFKMUULPSA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820451945 607324593 /nfs/dbraw/zinc/32/45/93/607324593.db2.gz YMISNBABDCLALB-ZWNOBZJWSA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820451945 607324592 /nfs/dbraw/zinc/32/45/92/607324592.db2.gz YMISNBABDCLALB-ZWNOBZJWSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H]1COCCO1 ZINC000820451952 945454404 /nfs/dbraw/zinc/45/44/04/945454404.db2.gz YRXBHXKADSIFAO-CMPLNLGQSA-N -1 3 396.429 -0.935 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@@H]1COCCO1 ZINC000820451952 945454396 /nfs/dbraw/zinc/45/43/96/945454396.db2.gz YRXBHXKADSIFAO-CMPLNLGQSA-N -1 3 396.429 -0.935 20 0 GBADHM 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WTUZIGDBJWKZCU-RDDDGLTNSA-N -1 3 394.413 -0.315 20 0 GBADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820468813 945459309 /nfs/dbraw/zinc/45/93/09/945459309.db2.gz WTUZIGDBJWKZCU-RDDDGLTNSA-N -1 3 394.413 -0.315 20 0 GBADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820468814 945459476 /nfs/dbraw/zinc/45/94/76/945459476.db2.gz WTUZIGDBJWKZCU-WRWORJQWSA-N -1 3 394.413 -0.315 20 0 GBADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820468814 945459468 /nfs/dbraw/zinc/45/94/68/945459468.db2.gz WTUZIGDBJWKZCU-WRWORJQWSA-N -1 3 394.413 -0.315 20 0 GBADHM C[C@@H](O)CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820474004 607052953 /nfs/dbraw/zinc/05/29/53/607052953.db2.gz OYMZVUQYMRVVJQ-GHMZBOCLSA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@@H](O)CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820474004 607052951 /nfs/dbraw/zinc/05/29/51/607052951.db2.gz OYMZVUQYMRVVJQ-GHMZBOCLSA-N -1 3 382.446 -0.237 20 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C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)CC[C@H](C)O ZINC000820474008 607052731 /nfs/dbraw/zinc/05/27/31/607052731.db2.gz OYMZVUQYMRVVJQ-WDEREUQCSA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@@H](O)CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820474711 607053050 /nfs/dbraw/zinc/05/30/50/607053050.db2.gz VEZIASRNTZEDPM-GHMZBOCLSA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@@H](O)CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820474711 607053049 /nfs/dbraw/zinc/05/30/49/607053049.db2.gz VEZIASRNTZEDPM-GHMZBOCLSA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@@H](O)CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820474712 607052809 /nfs/dbraw/zinc/05/28/09/607052809.db2.gz VEZIASRNTZEDPM-MNOVXSKESA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@@H](O)CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820474712 607052807 /nfs/dbraw/zinc/05/28/07/607052807.db2.gz VEZIASRNTZEDPM-MNOVXSKESA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@H](O)CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820474713 607052819 /nfs/dbraw/zinc/05/28/19/607052819.db2.gz VEZIASRNTZEDPM-QWRGUYRKSA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@H](O)CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820474713 607052818 /nfs/dbraw/zinc/05/28/18/607052818.db2.gz VEZIASRNTZEDPM-QWRGUYRKSA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(C)CC[C@H](C)O ZINC000820474715 607052680 /nfs/dbraw/zinc/05/26/80/607052680.db2.gz VEZIASRNTZEDPM-WDEREUQCSA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(C)CC[C@H](C)O ZINC000820474715 607052679 /nfs/dbraw/zinc/05/26/79/607052679.db2.gz VEZIASRNTZEDPM-WDEREUQCSA-N -1 3 382.446 -0.237 20 0 GBADHM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000820479693 606609274 /nfs/dbraw/zinc/60/92/74/606609274.db2.gz AZIFVUQBQGLSSS-JTQLQIEISA-N -1 3 377.380 -0.531 20 0 GBADHM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 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GPCAPSBMMBMDSP-WDEREUQCSA-N -1 3 391.407 -0.142 20 0 GBADHM C[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480544 606187651 /nfs/dbraw/zinc/18/76/51/606187651.db2.gz LSHNUOSZOWNDEQ-CYBMUJFWSA-N -1 3 380.474 -0.361 20 0 GBADHM C[C@@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820480544 606187649 /nfs/dbraw/zinc/18/76/49/606187649.db2.gz LSHNUOSZOWNDEQ-CYBMUJFWSA-N -1 3 380.474 -0.361 20 0 GBADHM C[C@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820480545 606187211 /nfs/dbraw/zinc/18/72/11/606187211.db2.gz LSHNUOSZOWNDEQ-ZDUSSCGKSA-N -1 3 380.474 -0.361 20 0 GBADHM C[C@H](O)CN1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820480545 606187210 /nfs/dbraw/zinc/18/72/10/606187210.db2.gz LSHNUOSZOWNDEQ-ZDUSSCGKSA-N -1 3 380.474 -0.361 20 0 GBADHM C[C@@H](O)c1cn(CC(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)nn1 ZINC000820480699 606832714 /nfs/dbraw/zinc/83/27/14/606832714.db2.gz MXNAWASYYFCULO-CYBMUJFWSA-N -1 3 397.443 -0.144 20 0 GBADHM 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QAIHYTHZIKMCIU-JTQLQIEISA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000820480873 606609327 /nfs/dbraw/zinc/60/93/27/606609327.db2.gz QAIHYTHZIKMCIU-SNVBAGLBSA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000820480873 606609325 /nfs/dbraw/zinc/60/93/25/606609325.db2.gz QAIHYTHZIKMCIU-SNVBAGLBSA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C[C@H]1C ZINC000820480962 606403738 /nfs/dbraw/zinc/40/37/38/606403738.db2.gz RGQSOSZYKAEAQR-GHMZBOCLSA-N -1 3 391.407 -0.142 20 0 GBADHM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C[C@H]1C ZINC000820480962 606403737 /nfs/dbraw/zinc/40/37/37/606403737.db2.gz RGQSOSZYKAEAQR-GHMZBOCLSA-N -1 3 391.407 -0.142 20 0 GBADHM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C[C@H]1C ZINC000820480963 606403631 /nfs/dbraw/zinc/40/36/31/606403631.db2.gz RGQSOSZYKAEAQR-MNOVXSKESA-N -1 3 391.407 -0.142 20 0 GBADHM 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ZINC000820481054 606833733 /nfs/dbraw/zinc/83/37/33/606833733.db2.gz SFPPLQREKIPMQB-GFCCVEGCSA-N -1 3 383.416 -0.140 20 0 GBADHM C[C@@H](O)c1cn(CC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)nn1 ZINC000820481054 606833732 /nfs/dbraw/zinc/83/37/32/606833732.db2.gz SFPPLQREKIPMQB-GFCCVEGCSA-N -1 3 383.416 -0.140 20 0 GBADHM C[C@H](O)c1cn(CC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)nn1 ZINC000820481056 606834164 /nfs/dbraw/zinc/83/41/64/606834164.db2.gz SFPPLQREKIPMQB-LBPRGKRZSA-N -1 3 383.416 -0.140 20 0 GBADHM C[C@H](O)c1cn(CC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)nn1 ZINC000820481056 606834162 /nfs/dbraw/zinc/83/41/62/606834162.db2.gz SFPPLQREKIPMQB-LBPRGKRZSA-N -1 3 383.416 -0.140 20 0 GBADHM C[C@@H](O)c1cn(CC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC000820481073 606831417 /nfs/dbraw/zinc/83/14/17/606831417.db2.gz SLSWLHPDVCJVCC-LLVKDONJSA-N -1 3 384.404 -0.745 20 0 GBADHM C[C@@H](O)c1cn(CC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC000820481073 606831416 /nfs/dbraw/zinc/83/14/16/606831416.db2.gz SLSWLHPDVCJVCC-LLVKDONJSA-N -1 3 384.404 -0.745 20 0 GBADHM C[C@H](O)c1cn(CC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)nn1 ZINC000820481075 606831373 /nfs/dbraw/zinc/83/13/73/606831373.db2.gz SLSWLHPDVCJVCC-NSHDSACASA-N -1 3 384.404 -0.745 20 0 GBADHM C[C@H](O)c1cn(CC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC000820481075 606831371 /nfs/dbraw/zinc/83/13/71/606831371.db2.gz SLSWLHPDVCJVCC-NSHDSACASA-N -1 3 384.404 -0.745 20 0 GBADHM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000820481105 606743034 /nfs/dbraw/zinc/74/30/34/606743034.db2.gz SSUJJEAIQMTBCR-JTQLQIEISA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC000820481105 606743033 /nfs/dbraw/zinc/74/30/33/606743033.db2.gz SSUJJEAIQMTBCR-JTQLQIEISA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000820481107 606742915 /nfs/dbraw/zinc/74/29/15/606742915.db2.gz SSUJJEAIQMTBCR-SNVBAGLBSA-N -1 3 393.835 -0.016 20 0 GBADHM 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C[C@@]1(O)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC000820629529 606612945 /nfs/dbraw/zinc/61/29/45/606612945.db2.gz XUCAWWMWLKLPAR-QGZVFWFLSA-N -1 3 397.399 -0.572 20 0 GBADHM C[C@@]1(O)CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC000820629529 606612944 /nfs/dbraw/zinc/61/29/44/606612944.db2.gz XUCAWWMWLKLPAR-QGZVFWFLSA-N -1 3 397.399 -0.572 20 0 GBADHM C[C@@H]1C[C@@H](N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658013 599386835 /nfs/dbraw/zinc/38/68/35/599386835.db2.gz OLNVVQTWEFFPAO-KMUNFCNLSA-N -1 3 395.427 -0.090 20 0 GBADHM C[C@@H]1C[C@@H](N[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658013 599386833 /nfs/dbraw/zinc/38/68/33/599386833.db2.gz OLNVVQTWEFFPAO-KMUNFCNLSA-N -1 3 395.427 -0.090 20 0 GBADHM C[C@@H]1C[C@H](N[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658015 599387019 /nfs/dbraw/zinc/38/70/19/599387019.db2.gz OLNVVQTWEFFPAO-ONERCXAPSA-N -1 3 395.427 -0.090 20 0 GBADHM C[C@@H]1C[C@H](N[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658015 599387015 /nfs/dbraw/zinc/38/70/15/599387015.db2.gz OLNVVQTWEFFPAO-ONERCXAPSA-N -1 3 395.427 -0.090 20 0 GBADHM C[C@@H]1C[C@@H](N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658016 599386693 /nfs/dbraw/zinc/38/66/93/599386693.db2.gz OLNVVQTWEFFPAO-VCTAVGKDSA-N -1 3 395.427 -0.090 20 0 GBADHM C[C@@H]1C[C@@H](N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658016 599386690 /nfs/dbraw/zinc/38/66/90/599386690.db2.gz OLNVVQTWEFFPAO-VCTAVGKDSA-N -1 3 395.427 -0.090 20 0 GBADHM C[C@@H]1C[C@H](N[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658018 599386515 /nfs/dbraw/zinc/38/65/15/599386515.db2.gz OLNVVQTWEFFPAO-WKPIXPDZSA-N -1 3 395.427 -0.090 20 0 GBADHM C[C@@H]1C[C@H](N[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C(=O)N1c1cnn(C)c1 ZINC000820658018 599386512 /nfs/dbraw/zinc/38/65/12/599386512.db2.gz OLNVVQTWEFFPAO-WKPIXPDZSA-N -1 3 395.427 -0.090 20 0 GBADHM 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C[C@@H]1C[C@H]1N1C[C@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000820667808 945517277 /nfs/dbraw/zinc/51/72/77/945517277.db2.gz OCIDJPOMTKUJRP-LERXQTSPSA-N -1 3 383.412 -0.278 20 0 GBADHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000820667809 945516616 /nfs/dbraw/zinc/51/66/16/945516616.db2.gz OCIDJPOMTKUJRP-SWHYSGLUSA-N -1 3 383.412 -0.278 20 0 GBADHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1=O ZINC000820667809 945516607 /nfs/dbraw/zinc/51/66/07/945516607.db2.gz OCIDJPOMTKUJRP-SWHYSGLUSA-N -1 3 383.412 -0.278 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCS1(=O)=O ZINC000820733243 606402477 /nfs/dbraw/zinc/40/24/77/606402477.db2.gz DNSOBVVBUTTYQF-MRVPVSSYSA-N -1 3 382.377 -0.410 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCS1(=O)=O ZINC000820733243 606402476 /nfs/dbraw/zinc/40/24/76/606402476.db2.gz DNSOBVVBUTTYQF-MRVPVSSYSA-N -1 3 382.377 -0.410 20 0 GBADHM 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C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CCN1c1nccn2cnnc12 ZINC000820742013 607325653 /nfs/dbraw/zinc/32/56/53/607325653.db2.gz HAARIPQBHZFJAP-LLVKDONJSA-N -1 3 393.415 -0.006 20 0 GBADHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CCN1c1nccn2cnnc12 ZINC000820742013 607325652 /nfs/dbraw/zinc/32/56/52/607325652.db2.gz HAARIPQBHZFJAP-LLVKDONJSA-N -1 3 393.415 -0.006 20 0 GBADHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CCN1c1nccn2cnnc12 ZINC000820742017 607325754 /nfs/dbraw/zinc/32/57/54/607325754.db2.gz HAARIPQBHZFJAP-NSHDSACASA-N -1 3 393.415 -0.006 20 0 GBADHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)cn2C)CCN1c1nccn2cnnc12 ZINC000820742017 607325753 /nfs/dbraw/zinc/32/57/53/607325753.db2.gz HAARIPQBHZFJAP-NSHDSACASA-N -1 3 393.415 -0.006 20 0 GBADHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1c1nccn2cnnc12 ZINC000820744652 607325662 /nfs/dbraw/zinc/32/56/62/607325662.db2.gz ZJHQYWWNXOEOKR-JTQLQIEISA-N -1 3 379.388 -0.017 20 0 GBADHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1c1nccn2cnnc12 ZINC000820744652 607325661 /nfs/dbraw/zinc/32/56/61/607325661.db2.gz ZJHQYWWNXOEOKR-JTQLQIEISA-N -1 3 379.388 -0.017 20 0 GBADHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1c1nccn2cnnc12 ZINC000820744658 607325766 /nfs/dbraw/zinc/32/57/66/607325766.db2.gz ZJHQYWWNXOEOKR-SNVBAGLBSA-N -1 3 379.388 -0.017 20 0 GBADHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1c1nccn2cnnc12 ZINC000820744658 607325765 /nfs/dbraw/zinc/32/57/65/607325765.db2.gz ZJHQYWWNXOEOKR-SNVBAGLBSA-N -1 3 379.388 -0.017 20 0 GBADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820751282 606287177 /nfs/dbraw/zinc/28/71/77/606287177.db2.gz FNIQBBYHTIJGEN-DZGCQCFKSA-N -1 3 388.476 -0.318 20 0 GBADHM C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820751282 606287175 /nfs/dbraw/zinc/28/71/75/606287175.db2.gz FNIQBBYHTIJGEN-DZGCQCFKSA-N -1 3 388.476 -0.318 20 0 GBADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820751285 606286860 /nfs/dbraw/zinc/28/68/60/606286860.db2.gz FNIQBBYHTIJGEN-HIFRSBDPSA-N -1 3 388.476 -0.318 20 0 GBADHM C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820751285 606286859 /nfs/dbraw/zinc/28/68/59/606286859.db2.gz FNIQBBYHTIJGEN-HIFRSBDPSA-N -1 3 388.476 -0.318 20 0 GBADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820751286 606287331 /nfs/dbraw/zinc/28/73/31/606287331.db2.gz FNIQBBYHTIJGEN-UKRRQHHQSA-N -1 3 388.476 -0.318 20 0 GBADHM C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820751286 606287330 /nfs/dbraw/zinc/28/73/30/606287330.db2.gz FNIQBBYHTIJGEN-UKRRQHHQSA-N -1 3 388.476 -0.318 20 0 GBADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820751287 606286921 /nfs/dbraw/zinc/28/69/21/606286921.db2.gz FNIQBBYHTIJGEN-ZFWWWQNUSA-N -1 3 388.476 -0.318 20 0 GBADHM C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820751287 606286920 /nfs/dbraw/zinc/28/69/20/606286920.db2.gz FNIQBBYHTIJGEN-ZFWWWQNUSA-N -1 3 388.476 -0.318 20 0 GBADHM 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ZINC000820758690 607336636 /nfs/dbraw/zinc/33/66/36/607336636.db2.gz BLPBHCFSNXJRTN-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000820758691 607337058 /nfs/dbraw/zinc/33/70/58/607337058.db2.gz BLPBHCFSNXJRTN-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC000820758691 607337057 /nfs/dbraw/zinc/33/70/57/607337057.db2.gz BLPBHCFSNXJRTN-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1CN(Cc2cccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)CCO1 ZINC000820761253 607210121 /nfs/dbraw/zinc/21/01/21/607210121.db2.gz WGGNUSRQHSKFRB-CYBMUJFWSA-N -1 3 397.443 -0.005 20 0 GBADHM C[C@H]1CN(Cc2cccc(CNC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)CCO1 ZINC000820761254 607210108 /nfs/dbraw/zinc/21/01/08/607210108.db2.gz WGGNUSRQHSKFRB-ZDUSSCGKSA-N -1 3 397.443 -0.005 20 0 GBADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000820761613 606399530 /nfs/dbraw/zinc/39/95/30/606399530.db2.gz YOTARWKUOGJHJK-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H]1CN(CCNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000820761613 606399529 /nfs/dbraw/zinc/39/95/29/606399529.db2.gz YOTARWKUOGJHJK-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000820761614 606399683 /nfs/dbraw/zinc/39/96/83/606399683.db2.gz YOTARWKUOGJHJK-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1CN(CCNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000820761614 606399681 /nfs/dbraw/zinc/39/96/81/606399681.db2.gz YOTARWKUOGJHJK-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000820761812 606189250 /nfs/dbraw/zinc/18/92/50/606189250.db2.gz ZOHVJLHMFUWHHZ-LLVKDONJSA-N -1 3 385.471 -0.241 20 0 GBADHM C[C@@H]1CN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000820761812 606189248 /nfs/dbraw/zinc/18/92/48/606189248.db2.gz ZOHVJLHMFUWHHZ-LLVKDONJSA-N -1 3 385.471 -0.241 20 0 GBADHM C[C@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC000820761814 606189389 /nfs/dbraw/zinc/18/93/89/606189389.db2.gz ZOHVJLHMFUWHHZ-NSHDSACASA-N -1 3 385.471 -0.241 20 0 GBADHM C[C@H]1CN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC000820761814 606189387 /nfs/dbraw/zinc/18/93/87/606189387.db2.gz ZOHVJLHMFUWHHZ-NSHDSACASA-N -1 3 385.471 -0.241 20 0 GBADHM C[C@@H]1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCS1(=O)=O ZINC000820766331 606891535 /nfs/dbraw/zinc/89/15/35/606891535.db2.gz BMPKFLAGDCYSSA-SSDOTTSWSA-N -1 3 393.397 -0.048 20 0 GBADHM C[C@@H]1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCS1(=O)=O ZINC000820766331 606891533 /nfs/dbraw/zinc/89/15/33/606891533.db2.gz BMPKFLAGDCYSSA-SSDOTTSWSA-N -1 3 393.397 -0.048 20 0 GBADHM C[C@H]1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCS1(=O)=O ZINC000820766333 606891466 /nfs/dbraw/zinc/89/14/66/606891466.db2.gz BMPKFLAGDCYSSA-ZETCQYMHSA-N -1 3 393.397 -0.048 20 0 GBADHM C[C@H]1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCS1(=O)=O ZINC000820766333 606891464 /nfs/dbraw/zinc/89/14/64/606891464.db2.gz BMPKFLAGDCYSSA-ZETCQYMHSA-N -1 3 393.397 -0.048 20 0 GBADHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCN1CCOCC1 ZINC000820774275 606829006 /nfs/dbraw/zinc/82/90/06/606829006.db2.gz ADJRWLIEUKHBTH-CYBMUJFWSA-N -1 3 387.448 -0.584 20 0 GBADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCN1CCOCC1 ZINC000820774275 606829004 /nfs/dbraw/zinc/82/90/04/606829004.db2.gz ADJRWLIEUKHBTH-CYBMUJFWSA-N -1 3 387.448 -0.584 20 0 GBADHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCN1CCOCC1 ZINC000820774276 606829229 /nfs/dbraw/zinc/82/92/29/606829229.db2.gz ADJRWLIEUKHBTH-ZDUSSCGKSA-N -1 3 387.448 -0.584 20 0 GBADHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCN1CCOCC1 ZINC000820774276 606829226 /nfs/dbraw/zinc/82/92/26/606829226.db2.gz ADJRWLIEUKHBTH-ZDUSSCGKSA-N -1 3 387.448 -0.584 20 0 GBADHM CS(C)(=O)=NS(=O)(=O)[N-]CCCN1CCN(c2ncccn2)CC1 ZINC000820783813 637996232 /nfs/dbraw/zinc/99/62/32/637996232.db2.gz NNVRUXARWRJCNL-UHFFFAOYSA-N -1 3 376.508 -0.449 20 0 GBADHM O=c1n(CCC[N-]S(=O)(=O)N=S2(=O)CCCC2)nc2n1CCCC2 ZINC000820786272 637996853 /nfs/dbraw/zinc/99/68/53/637996853.db2.gz APQVUTZOKUFDOX-UHFFFAOYSA-N -1 3 377.492 -0.133 20 0 GBADHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C[C@@H](O)CN1CCCC1=O ZINC000820788247 606852827 /nfs/dbraw/zinc/85/28/27/606852827.db2.gz BQHCDIMDFCDQGT-CHWSQXEVSA-N -1 3 387.448 -0.850 20 0 GBADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@@H](O)CN1CCCC1=O ZINC000820788247 606852826 /nfs/dbraw/zinc/85/28/26/606852826.db2.gz BQHCDIMDFCDQGT-CHWSQXEVSA-N -1 3 387.448 -0.850 20 0 GBADHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C[C@H](O)CN1CCCC1=O ZINC000820788248 606853092 /nfs/dbraw/zinc/85/30/92/606853092.db2.gz BQHCDIMDFCDQGT-OLZOCXBDSA-N -1 3 387.448 -0.850 20 0 GBADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C[C@H](O)CN1CCCC1=O ZINC000820788248 606853091 /nfs/dbraw/zinc/85/30/91/606853091.db2.gz BQHCDIMDFCDQGT-OLZOCXBDSA-N -1 3 387.448 -0.850 20 0 GBADHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C[C@@H](O)CN1CCCC1=O ZINC000820788249 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395.493 -0.551 20 0 GBADHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCCS(=O)(=O)N(C)C ZINC000820788570 606777683 /nfs/dbraw/zinc/77/76/83/606777683.db2.gz JTFPGTMZISJMDQ-LBPRGKRZSA-N -1 3 395.493 -0.551 20 0 GBADHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCCS(=O)(=O)N(C)C ZINC000820788570 606777681 /nfs/dbraw/zinc/77/76/81/606777681.db2.gz JTFPGTMZISJMDQ-LBPRGKRZSA-N -1 3 395.493 -0.551 20 0 GBADHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCCN1C(=O)CNC1=O ZINC000820789237 606782628 /nfs/dbraw/zinc/78/26/28/606782628.db2.gz YOEZVJCRSIQYRJ-LLVKDONJSA-N -1 3 386.420 -0.891 20 0 GBADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCCN1C(=O)CNC1=O ZINC000820789237 606782626 /nfs/dbraw/zinc/78/26/26/606782626.db2.gz YOEZVJCRSIQYRJ-LLVKDONJSA-N -1 3 386.420 -0.891 20 0 GBADHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCCN1C(=O)CNC1=O ZINC000820789238 606781886 /nfs/dbraw/zinc/78/18/86/606781886.db2.gz YOEZVJCRSIQYRJ-NSHDSACASA-N -1 3 386.420 -0.891 20 0 GBADHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCCN1C(=O)CNC1=O ZINC000820789238 606781885 /nfs/dbraw/zinc/78/18/85/606781885.db2.gz YOEZVJCRSIQYRJ-NSHDSACASA-N -1 3 386.420 -0.891 20 0 GBADHM COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000820795996 637997456 /nfs/dbraw/zinc/99/74/56/637997456.db2.gz XBCKSMRRUQBRHN-MRVPVSSYSA-N -1 3 399.194 -0.501 20 0 GBADHM COC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br ZINC000820795997 637997628 /nfs/dbraw/zinc/99/76/28/637997628.db2.gz XBCKSMRRUQBRHN-QMMMGPOBSA-N -1 3 399.194 -0.501 20 0 GBADHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(=O)n2nccc2[nH]1 ZINC000820803714 606782751 /nfs/dbraw/zinc/78/27/51/606782751.db2.gz GGKDEKWNCPNZPV-LLVKDONJSA-N -1 3 393.415 -0.297 20 0 GBADHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(=O)n2nccc2[nH]1 ZINC000820803714 606782750 /nfs/dbraw/zinc/78/27/50/606782750.db2.gz GGKDEKWNCPNZPV-LLVKDONJSA-N -1 3 393.415 -0.297 20 0 GBADHM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1cc(=O)n2nccc2[nH]1 ZINC000820803715 606783190 /nfs/dbraw/zinc/78/31/90/606783190.db2.gz GGKDEKWNCPNZPV-NSHDSACASA-N -1 3 393.415 -0.297 20 0 GBADHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc(=O)n2nccc2[nH]1 ZINC000820803715 606783188 /nfs/dbraw/zinc/78/31/88/606783188.db2.gz GGKDEKWNCPNZPV-NSHDSACASA-N -1 3 393.415 -0.297 20 0 GBADHM C[C@H]1CO[C@H](CO)CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000820804762 607187346 /nfs/dbraw/zinc/18/73/46/607187346.db2.gz YUMZMSWBRNPTQG-GWCFXTLKSA-N -1 3 384.400 -0.144 20 0 GBADHM C[C@H]1CO[C@H](CO)CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820804762 607187345 /nfs/dbraw/zinc/18/73/45/607187345.db2.gz YUMZMSWBRNPTQG-GWCFXTLKSA-N -1 3 384.400 -0.144 20 0 GBADHM C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000820804763 607187342 /nfs/dbraw/zinc/18/73/42/607187342.db2.gz YUMZMSWBRNPTQG-GXFFZTMASA-N -1 3 384.400 -0.144 20 0 GBADHM C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820804763 607187341 /nfs/dbraw/zinc/18/73/41/607187341.db2.gz YUMZMSWBRNPTQG-GXFFZTMASA-N -1 3 384.400 -0.144 20 0 GBADHM C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000820804764 607187436 /nfs/dbraw/zinc/18/74/36/607187436.db2.gz YUMZMSWBRNPTQG-MFKMUULPSA-N -1 3 384.400 -0.144 20 0 GBADHM C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820804764 607187435 /nfs/dbraw/zinc/18/74/35/607187435.db2.gz YUMZMSWBRNPTQG-MFKMUULPSA-N -1 3 384.400 -0.144 20 0 GBADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000820804765 607187562 /nfs/dbraw/zinc/18/75/62/607187562.db2.gz YUMZMSWBRNPTQG-ZWNOBZJWSA-N -1 3 384.400 -0.144 20 0 GBADHM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000820804765 607187561 /nfs/dbraw/zinc/18/75/61/607187561.db2.gz YUMZMSWBRNPTQG-ZWNOBZJWSA-N -1 3 384.400 -0.144 20 0 GBADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820813469 606891838 /nfs/dbraw/zinc/89/18/38/606891838.db2.gz HWUOYJBODOUNPR-SSDOTTSWSA-N -1 3 393.397 -0.048 20 0 GBADHM C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820813469 606891837 /nfs/dbraw/zinc/89/18/37/606891837.db2.gz HWUOYJBODOUNPR-SSDOTTSWSA-N -1 3 393.397 -0.048 20 0 GBADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820813470 606891504 /nfs/dbraw/zinc/89/15/04/606891504.db2.gz HWUOYJBODOUNPR-ZETCQYMHSA-N -1 3 393.397 -0.048 20 0 GBADHM C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820813470 606891502 /nfs/dbraw/zinc/89/15/02/606891502.db2.gz HWUOYJBODOUNPR-ZETCQYMHSA-N -1 3 393.397 -0.048 20 0 GBADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820813487 607337037 /nfs/dbraw/zinc/33/70/37/607337037.db2.gz IGNPGGFJAVFDGF-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820813487 607337035 /nfs/dbraw/zinc/33/70/35/607337035.db2.gz IGNPGGFJAVFDGF-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000820813488 607336716 /nfs/dbraw/zinc/33/67/16/607336716.db2.gz IGNPGGFJAVFDGF-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000820813488 607336714 /nfs/dbraw/zinc/33/67/14/607336714.db2.gz IGNPGGFJAVFDGF-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1COCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820814704 606605183 /nfs/dbraw/zinc/60/51/83/606605183.db2.gz XNYKCMZMTKDWAE-LLVKDONJSA-N -1 3 397.399 -0.308 20 0 GBADHM C[C@@H]1COCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820814704 606605181 /nfs/dbraw/zinc/60/51/81/606605181.db2.gz XNYKCMZMTKDWAE-LLVKDONJSA-N -1 3 397.399 -0.308 20 0 GBADHM C[C@H]1COCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820814706 606605189 /nfs/dbraw/zinc/60/51/89/606605189.db2.gz XNYKCMZMTKDWAE-NSHDSACASA-N -1 3 397.399 -0.308 20 0 GBADHM C[C@H]1COCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820814706 606605187 /nfs/dbraw/zinc/60/51/87/606605187.db2.gz XNYKCMZMTKDWAE-NSHDSACASA-N -1 3 397.399 -0.308 20 0 GBADHM C[C@@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820814709 606189205 /nfs/dbraw/zinc/18/92/05/606189205.db2.gz XPXFPAMCBZFRHO-LLVKDONJSA-N -1 3 385.471 -0.241 20 0 GBADHM C[C@@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820814709 606189203 /nfs/dbraw/zinc/18/92/03/606189203.db2.gz XPXFPAMCBZFRHO-LLVKDONJSA-N -1 3 385.471 -0.241 20 0 GBADHM C[C@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820814710 606189577 /nfs/dbraw/zinc/18/95/77/606189577.db2.gz XPXFPAMCBZFRHO-NSHDSACASA-N -1 3 385.471 -0.241 20 0 GBADHM C[C@H]1CS(=O)(=O)CCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820814710 606189576 /nfs/dbraw/zinc/18/95/76/606189576.db2.gz XPXFPAMCBZFRHO-NSHDSACASA-N -1 3 385.471 -0.241 20 0 GBADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820814792 606399667 /nfs/dbraw/zinc/39/96/67/606399667.db2.gz YMMXIRPCMLYYCT-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820814792 606399665 /nfs/dbraw/zinc/39/96/65/606399665.db2.gz YMMXIRPCMLYYCT-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000820814793 606399536 /nfs/dbraw/zinc/39/95/36/606399536.db2.gz YMMXIRPCMLYYCT-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H]1COCCN1CCNC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000820814793 606399535 /nfs/dbraw/zinc/39/95/35/606399535.db2.gz YMMXIRPCMLYYCT-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000820838559 606817219 /nfs/dbraw/zinc/81/72/19/606817219.db2.gz WCWWHGMYFQPGAP-LLVKDONJSA-N -1 3 387.400 -0.059 20 0 GBADHM CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000820838559 606817217 /nfs/dbraw/zinc/81/72/17/606817217.db2.gz WCWWHGMYFQPGAP-LLVKDONJSA-N -1 3 387.400 -0.059 20 0 GBADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)C1 ZINC000820838560 606817253 /nfs/dbraw/zinc/81/72/53/606817253.db2.gz WCWWHGMYFQPGAP-NSHDSACASA-N -1 3 387.400 -0.059 20 0 GBADHM CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)C1 ZINC000820838560 606817252 /nfs/dbraw/zinc/81/72/52/606817252.db2.gz WCWWHGMYFQPGAP-NSHDSACASA-N -1 3 387.400 -0.059 20 0 GBADHM CC[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820852461 607051110 /nfs/dbraw/zinc/05/11/10/607051110.db2.gz BWDOWCIHEJIICG-BMIGLBTASA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820852461 607051109 /nfs/dbraw/zinc/05/11/09/607051109.db2.gz BWDOWCIHEJIICG-BMIGLBTASA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820852462 607051368 /nfs/dbraw/zinc/05/13/68/607051368.db2.gz BWDOWCIHEJIICG-BONVTDFDSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820852462 607051366 /nfs/dbraw/zinc/05/13/66/607051366.db2.gz BWDOWCIHEJIICG-BONVTDFDSA-N -1 3 382.446 -0.189 20 0 GBADHM 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CC[C@@H](NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOCC1 ZINC000820925749 606471997 /nfs/dbraw/zinc/47/19/97/606471997.db2.gz LIILOTZONPZTRW-CQSZACIVSA-N -1 3 394.457 -0.077 20 0 GBADHM CC[C@@H](NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOCC1 ZINC000820925749 606471994 /nfs/dbraw/zinc/47/19/94/606471994.db2.gz LIILOTZONPZTRW-CQSZACIVSA-N -1 3 394.457 -0.077 20 0 GBADHM CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCOCC1 ZINC000820927156 606472033 /nfs/dbraw/zinc/47/20/33/606472033.db2.gz ZYQGHKHTNGLRHX-CYBMUJFWSA-N -1 3 398.420 -0.079 20 0 GBADHM CC[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCOCC1 ZINC000820927156 606472032 /nfs/dbraw/zinc/47/20/32/606472032.db2.gz ZYQGHKHTNGLRHX-CYBMUJFWSA-N -1 3 398.420 -0.079 20 0 GBADHM CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCOCC1 ZINC000820927158 606471854 /nfs/dbraw/zinc/47/18/54/606471854.db2.gz ZYQGHKHTNGLRHX-ZDUSSCGKSA-N -1 3 398.420 -0.079 20 0 GBADHM CC[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCOCC1 ZINC000820927158 606471852 /nfs/dbraw/zinc/47/18/52/606471852.db2.gz ZYQGHKHTNGLRHX-ZDUSSCGKSA-N -1 3 398.420 -0.079 20 0 GBADHM CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000820931127 607116835 /nfs/dbraw/zinc/11/68/35/607116835.db2.gz BTPCLYVLKASARL-GZMMTYOYSA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000820931127 607116834 /nfs/dbraw/zinc/11/68/34/607116834.db2.gz BTPCLYVLKASARL-GZMMTYOYSA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000820931129 607116864 /nfs/dbraw/zinc/11/68/64/607116864.db2.gz BTPCLYVLKASARL-KCJUWKMLSA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000820931129 607116863 /nfs/dbraw/zinc/11/68/63/607116863.db2.gz BTPCLYVLKASARL-KCJUWKMLSA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000820931131 607116655 /nfs/dbraw/zinc/11/66/55/607116655.db2.gz BTPCLYVLKASARL-KWQFWETISA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000820931131 607116653 /nfs/dbraw/zinc/11/66/53/607116653.db2.gz BTPCLYVLKASARL-KWQFWETISA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000820931133 607116430 /nfs/dbraw/zinc/11/64/30/607116430.db2.gz BTPCLYVLKASARL-LDYMZIIASA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000820931133 607116428 /nfs/dbraw/zinc/11/64/28/607116428.db2.gz BTPCLYVLKASARL-LDYMZIIASA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@@H](O)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820932186 606966092 /nfs/dbraw/zinc/96/60/92/606966092.db2.gz MBVNPJIWWOJPKE-CYBMUJFWSA-N -1 3 399.415 -0.278 20 0 GBADHM CC[C@@H](O)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820932186 606966090 /nfs/dbraw/zinc/96/60/90/606966090.db2.gz MBVNPJIWWOJPKE-CYBMUJFWSA-N -1 3 399.415 -0.278 20 0 GBADHM CC[C@H](O)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820932187 606965884 /nfs/dbraw/zinc/96/58/84/606965884.db2.gz MBVNPJIWWOJPKE-ZDUSSCGKSA-N -1 3 399.415 -0.278 20 0 GBADHM CC[C@H](O)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820932187 606965882 /nfs/dbraw/zinc/96/58/82/606965882.db2.gz MBVNPJIWWOJPKE-ZDUSSCGKSA-N -1 3 399.415 -0.278 20 0 GBADHM CC[C@@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820932192 607063543 /nfs/dbraw/zinc/06/35/43/607063543.db2.gz MELFPYASLXFTFW-CMPLNLGQSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820932192 607063541 /nfs/dbraw/zinc/06/35/41/607063541.db2.gz MELFPYASLXFTFW-CMPLNLGQSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820932193 607063612 /nfs/dbraw/zinc/06/36/12/607063612.db2.gz MELFPYASLXFTFW-JQWIXIFHSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820932193 607063610 /nfs/dbraw/zinc/06/36/10/607063610.db2.gz MELFPYASLXFTFW-JQWIXIFHSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820932194 607063249 /nfs/dbraw/zinc/06/32/49/607063249.db2.gz MELFPYASLXFTFW-PWSUYJOCSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820932194 607063247 /nfs/dbraw/zinc/06/32/47/607063247.db2.gz MELFPYASLXFTFW-PWSUYJOCSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820932195 607063254 /nfs/dbraw/zinc/06/32/54/607063254.db2.gz MELFPYASLXFTFW-ZYHUDNBSSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820932195 607063252 /nfs/dbraw/zinc/06/32/52/607063252.db2.gz MELFPYASLXFTFW-ZYHUDNBSSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820932463 607121433 /nfs/dbraw/zinc/12/14/33/607121433.db2.gz NZPJKHBJTQPPBO-GZMMTYOYSA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820932463 607121431 /nfs/dbraw/zinc/12/14/31/607121431.db2.gz NZPJKHBJTQPPBO-GZMMTYOYSA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820932465 607121292 /nfs/dbraw/zinc/12/12/92/607121292.db2.gz NZPJKHBJTQPPBO-KCJUWKMLSA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820932465 607121290 /nfs/dbraw/zinc/12/12/90/607121290.db2.gz NZPJKHBJTQPPBO-KCJUWKMLSA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820932467 607121004 /nfs/dbraw/zinc/12/10/04/607121004.db2.gz NZPJKHBJTQPPBO-KWQFWETISA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820932467 607121003 /nfs/dbraw/zinc/12/10/03/607121003.db2.gz NZPJKHBJTQPPBO-KWQFWETISA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000820932468 607121022 /nfs/dbraw/zinc/12/10/22/607121022.db2.gz NZPJKHBJTQPPBO-LDYMZIIASA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000820932468 607121021 /nfs/dbraw/zinc/12/10/21/607121021.db2.gz NZPJKHBJTQPPBO-LDYMZIIASA-N -1 3 382.402 -0.659 20 0 GBADHM CC[C@@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820932496 607063680 /nfs/dbraw/zinc/06/36/80/607063680.db2.gz OHNRCVNWCDFSTD-CMPLNLGQSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820932496 607063677 /nfs/dbraw/zinc/06/36/77/607063677.db2.gz OHNRCVNWCDFSTD-CMPLNLGQSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820932498 607063218 /nfs/dbraw/zinc/06/32/18/607063218.db2.gz OHNRCVNWCDFSTD-JQWIXIFHSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820932498 607063216 /nfs/dbraw/zinc/06/32/16/607063216.db2.gz OHNRCVNWCDFSTD-JQWIXIFHSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820932500 607063450 /nfs/dbraw/zinc/06/34/50/607063450.db2.gz OHNRCVNWCDFSTD-PWSUYJOCSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820932500 607063448 /nfs/dbraw/zinc/06/34/48/607063448.db2.gz OHNRCVNWCDFSTD-PWSUYJOCSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820932502 607063549 /nfs/dbraw/zinc/06/35/49/607063549.db2.gz OHNRCVNWCDFSTD-ZYHUDNBSSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820932502 607063547 /nfs/dbraw/zinc/06/35/47/607063547.db2.gz OHNRCVNWCDFSTD-ZYHUDNBSSA-N -1 3 382.446 -0.189 20 0 GBADHM Cc1c(C(=O)N(CCN(C)C)CC(=O)[O-])cnc2c1c(=O)n(C)c(=O)n2C ZINC000820934305 597353658 /nfs/dbraw/zinc/35/36/58/597353658.db2.gz VLYIOAPNWNLOHU-UHFFFAOYSA-N -1 3 377.401 -0.971 20 0 GBADHM CC[C@]1(C)NC(=O)N(NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820957362 607207248 /nfs/dbraw/zinc/20/72/48/607207248.db2.gz NPMQDNUWIVMXEK-AWEZNQCLSA-N -1 3 379.402 -0.078 20 0 GBADHM CC[C@@]1(C)NC(=O)N(NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000820957364 607207301 /nfs/dbraw/zinc/20/73/01/607207301.db2.gz NPMQDNUWIVMXEK-CQSZACIVSA-N -1 3 379.402 -0.078 20 0 GBADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820994313 606975160 /nfs/dbraw/zinc/97/51/60/606975160.db2.gz GSFRBMWPMVMLQY-CMPLNLGQSA-N -1 3 381.462 -0.005 20 0 GBADHM CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820994313 606975158 /nfs/dbraw/zinc/97/51/58/606975158.db2.gz 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GBADHM CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820994319 606975186 /nfs/dbraw/zinc/97/51/86/606975186.db2.gz GSFRBMWPMVMLQY-ZYHUDNBSSA-N -1 3 381.462 -0.005 20 0 GBADHM CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820995891 607218078 /nfs/dbraw/zinc/21/80/78/607218078.db2.gz ZVSQMZDWAYHIHN-CYBMUJFWSA-N -1 3 385.436 -0.722 20 0 GBADHM CC[C@H]1CN(CCn2cccn2)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820995892 607218134 /nfs/dbraw/zinc/21/81/34/607218134.db2.gz ZVSQMZDWAYHIHN-ZDUSSCGKSA-N -1 3 385.436 -0.722 20 0 GBADHM CCC[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821020270 607063414 /nfs/dbraw/zinc/06/34/14/607063414.db2.gz AAUMCHXMHOZRCE-CMPLNLGQSA-N -1 3 382.446 -0.189 20 0 GBADHM CCC[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821020270 607063411 /nfs/dbraw/zinc/06/34/11/607063411.db2.gz AAUMCHXMHOZRCE-CMPLNLGQSA-N -1 3 382.446 -0.189 20 0 GBADHM CCC[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 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606983942 /nfs/dbraw/zinc/98/39/42/606983942.db2.gz OLOHJADNIDPOIA-SNVBAGLBSA-N -1 3 395.445 -0.824 20 0 GBADHM CCCNC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821114338 606983941 /nfs/dbraw/zinc/98/39/41/606983941.db2.gz OLOHJADNIDPOIA-SNVBAGLBSA-N -1 3 395.445 -0.824 20 0 GBADHM CCCNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821114360 606984187 /nfs/dbraw/zinc/98/41/87/606984187.db2.gz PEYOXBYBXCREKP-JTQLQIEISA-N -1 3 395.445 -0.824 20 0 GBADHM CCCNC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821114360 606984186 /nfs/dbraw/zinc/98/41/86/606984186.db2.gz PEYOXBYBXCREKP-JTQLQIEISA-N -1 3 395.445 -0.824 20 0 GBADHM CCCNC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821114361 606984279 /nfs/dbraw/zinc/98/42/79/606984279.db2.gz PEYOXBYBXCREKP-SNVBAGLBSA-N -1 3 395.445 -0.824 20 0 GBADHM CCCNC(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821114361 606984277 /nfs/dbraw/zinc/98/42/77/606984277.db2.gz 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ZINC000821399764 606457211 /nfs/dbraw/zinc/45/72/11/606457211.db2.gz BCIKTNWFSXNOPR-PHIMTYICSA-N -1 3 376.373 -0.842 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1C[C@H](O)C[C@H](O)C1 ZINC000821399764 606457210 /nfs/dbraw/zinc/45/72/10/606457210.db2.gz BCIKTNWFSXNOPR-PHIMTYICSA-N -1 3 376.373 -0.842 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@@H](CO)C1 ZINC000821399768 606129559 /nfs/dbraw/zinc/12/95/59/606129559.db2.gz BCNSAGNKJAWVGN-LLVKDONJSA-N -1 3 376.373 -0.576 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@@H](CO)C1 ZINC000821399768 606129558 /nfs/dbraw/zinc/12/95/58/606129558.db2.gz BCNSAGNKJAWVGN-LLVKDONJSA-N -1 3 376.373 -0.576 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCO[C@H](CO)C1 ZINC000821399770 606129706 /nfs/dbraw/zinc/12/97/06/606129706.db2.gz BCNSAGNKJAWVGN-NSHDSACASA-N -1 3 376.373 -0.576 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCO[C@H](CO)C1 ZINC000821399770 606129704 /nfs/dbraw/zinc/12/97/04/606129704.db2.gz BCNSAGNKJAWVGN-NSHDSACASA-N -1 3 376.373 -0.576 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCCCNC1=O ZINC000821400360 606118091 /nfs/dbraw/zinc/11/80/91/606118091.db2.gz IDPJEOCYEFWFTN-LLVKDONJSA-N -1 3 387.400 -0.011 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCCCNC1=O ZINC000821400360 606118090 /nfs/dbraw/zinc/11/80/90/606118090.db2.gz IDPJEOCYEFWFTN-LLVKDONJSA-N -1 3 387.400 -0.011 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCCCNC1=O ZINC000821400361 606118262 /nfs/dbraw/zinc/11/82/62/606118262.db2.gz IDPJEOCYEFWFTN-NSHDSACASA-N -1 3 387.400 -0.011 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCCCNC1=O ZINC000821400361 606118260 /nfs/dbraw/zinc/11/82/60/606118260.db2.gz IDPJEOCYEFWFTN-NSHDSACASA-N -1 3 387.400 -0.011 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](CCO)COC ZINC000821400576 606612886 /nfs/dbraw/zinc/61/28/86/606612886.db2.gz LTFHKBVNFXZLCR-LLVKDONJSA-N -1 3 378.389 -0.283 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CCO)COC ZINC000821400576 606612885 /nfs/dbraw/zinc/61/28/85/606612885.db2.gz LTFHKBVNFXZLCR-LLVKDONJSA-N -1 3 378.389 -0.283 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CCO)COC ZINC000821400577 606612631 /nfs/dbraw/zinc/61/26/31/606612631.db2.gz LTFHKBVNFXZLCR-NSHDSACASA-N -1 3 378.389 -0.283 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CCO)COC ZINC000821400577 606612629 /nfs/dbraw/zinc/61/26/29/606612629.db2.gz LTFHKBVNFXZLCR-NSHDSACASA-N -1 3 378.389 -0.283 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1nnnn1C1CC1 ZINC000821400756 599615932 /nfs/dbraw/zinc/61/59/32/599615932.db2.gz NSIMXWPWIPHOSL-UHFFFAOYSA-N -1 3 398.387 -0.158 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1nnnn1C1CC1 ZINC000821400756 599615931 /nfs/dbraw/zinc/61/59/31/599615931.db2.gz NSIMXWPWIPHOSL-UHFFFAOYSA-N -1 3 398.387 -0.158 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000821400790 606609789 /nfs/dbraw/zinc/60/97/89/606609789.db2.gz OQTLQZNLZPCNIX-LLVKDONJSA-N -1 3 397.399 -0.073 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000821400790 606609787 /nfs/dbraw/zinc/60/97/87/606609787.db2.gz OQTLQZNLZPCNIX-LLVKDONJSA-N -1 3 397.399 -0.073 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000821400791 606610033 /nfs/dbraw/zinc/61/00/33/606610033.db2.gz OQTLQZNLZPCNIX-NSHDSACASA-N -1 3 397.399 -0.073 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000821400791 606610032 /nfs/dbraw/zinc/61/00/32/606610032.db2.gz OQTLQZNLZPCNIX-NSHDSACASA-N -1 3 397.399 -0.073 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000821400944 606385982 /nfs/dbraw/zinc/38/59/82/606385982.db2.gz QNCKPVNBBXRBAF-LLVKDONJSA-N -1 3 387.400 -0.059 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000821400944 606385981 /nfs/dbraw/zinc/38/59/81/606385981.db2.gz QNCKPVNBBXRBAF-LLVKDONJSA-N -1 3 387.400 -0.059 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000821400945 606385926 /nfs/dbraw/zinc/38/59/26/606385926.db2.gz QNCKPVNBBXRBAF-NSHDSACASA-N -1 3 387.400 -0.059 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCCN(C)C1=O ZINC000821400945 606385925 /nfs/dbraw/zinc/38/59/25/606385925.db2.gz QNCKPVNBBXRBAF-NSHDSACASA-N -1 3 387.400 -0.059 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC ZINC000821401263 607093687 /nfs/dbraw/zinc/09/36/87/607093687.db2.gz UFZGOPBTAPTOQL-GFCCVEGCSA-N -1 3 387.400 -0.059 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@@H]1C(=O)NC ZINC000821401263 607093686 /nfs/dbraw/zinc/09/36/86/607093686.db2.gz UFZGOPBTAPTOQL-GFCCVEGCSA-N -1 3 387.400 -0.059 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC[C@H]1C(=O)NC ZINC000821401264 607093728 /nfs/dbraw/zinc/09/37/28/607093728.db2.gz UFZGOPBTAPTOQL-LBPRGKRZSA-N -1 3 387.400 -0.059 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC[C@H]1C(=O)NC ZINC000821401264 607093727 /nfs/dbraw/zinc/09/37/27/607093727.db2.gz UFZGOPBTAPTOQL-LBPRGKRZSA-N -1 3 387.400 -0.059 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H](C)C(=O)N(C)C ZINC000821401305 606458495 /nfs/dbraw/zinc/45/84/95/606458495.db2.gz VMRSJWFAUZKUGA-SECBINFHSA-N -1 3 375.389 -0.203 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](C)C(=O)N(C)C ZINC000821401305 606458494 /nfs/dbraw/zinc/45/84/94/606458494.db2.gz VMRSJWFAUZKUGA-SECBINFHSA-N -1 3 375.389 -0.203 20 0 GBADHM CCS(=O)(=O)NCCCNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000821440662 599506777 /nfs/dbraw/zinc/50/67/77/599506777.db2.gz AEWUUGOAUUJUPY-UHFFFAOYSA-N -1 3 389.463 -0.745 20 0 GBADHM CCS(=O)(=O)NCCCNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000821440662 599506775 /nfs/dbraw/zinc/50/67/75/599506775.db2.gz AEWUUGOAUUJUPY-UHFFFAOYSA-N -1 3 389.463 -0.745 20 0 GBADHM CCS(=O)(=O)NCc1ccc(C(=O)n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821440714 599315850 /nfs/dbraw/zinc/31/58/50/599315850.db2.gz ARNASNAEPKMBHB-UHFFFAOYSA-N -1 3 376.402 -0.227 20 0 GBADHM CCS(=O)(=O)NCC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821440728 607300572 /nfs/dbraw/zinc/30/05/72/607300572.db2.gz AVBFUJYSJIEPGW-UHFFFAOYSA-N -1 3 393.473 -0.155 20 0 GBADHM CCS(=O)(=O)NCC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821440728 607300571 /nfs/dbraw/zinc/30/05/71/607300571.db2.gz AVBFUJYSJIEPGW-UHFFFAOYSA-N -1 3 393.473 -0.155 20 0 GBADHM CCS(=O)(=O)NCC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821440826 607113201 /nfs/dbraw/zinc/11/32/01/607113201.db2.gz DCNLGJBPSGNWPC-UHFFFAOYSA-N -1 3 393.385 -0.101 20 0 GBADHM CCS(=O)(=O)NCC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821440826 607113198 /nfs/dbraw/zinc/11/31/98/607113198.db2.gz DCNLGJBPSGNWPC-UHFFFAOYSA-N -1 3 393.385 -0.101 20 0 GBADHM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821440838 607272501 /nfs/dbraw/zinc/27/25/01/607272501.db2.gz DLMPHNWZVIZAFB-UHFFFAOYSA-N -1 3 381.418 -0.831 20 0 GBADHM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821440838 607272500 /nfs/dbraw/zinc/27/25/00/607272500.db2.gz DLMPHNWZVIZAFB-UHFFFAOYSA-N -1 3 381.418 -0.831 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1C ZINC000821440912 606737674 /nfs/dbraw/zinc/73/76/74/606737674.db2.gz DRRCPSQFRJTCDF-UHFFFAOYSA-N -1 3 375.432 -0.177 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1C ZINC000821440912 606737672 /nfs/dbraw/zinc/73/76/72/606737672.db2.gz DRRCPSQFRJTCDF-UHFFFAOYSA-N -1 3 375.432 -0.177 20 0 GBADHM CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000821440922 607275000 /nfs/dbraw/zinc/27/50/00/607275000.db2.gz DZTIVSIVDXMJIS-UHFFFAOYSA-N -1 3 395.445 -0.441 20 0 GBADHM CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000821440922 607274999 /nfs/dbraw/zinc/27/49/99/607274999.db2.gz DZTIVSIVDXMJIS-UHFFFAOYSA-N -1 3 395.445 -0.441 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821440940 606739556 /nfs/dbraw/zinc/73/95/56/606739556.db2.gz FFFPLGQJMRJYBR-JTQLQIEISA-N -1 3 388.475 -0.214 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821440940 606739554 /nfs/dbraw/zinc/73/95/54/606739554.db2.gz FFFPLGQJMRJYBR-JTQLQIEISA-N -1 3 388.475 -0.214 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000821440944 606739725 /nfs/dbraw/zinc/73/97/25/606739725.db2.gz FFFPLGQJMRJYBR-SNVBAGLBSA-N -1 3 388.475 -0.214 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000821440944 606739722 /nfs/dbraw/zinc/73/97/22/606739722.db2.gz FFFPLGQJMRJYBR-SNVBAGLBSA-N -1 3 388.475 -0.214 20 0 GBADHM CCS(=O)(=O)NCC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821440969 607299141 /nfs/dbraw/zinc/29/91/41/607299141.db2.gz FUJYSFUAGFZFRD-UHFFFAOYSA-N -1 3 397.436 -0.406 20 0 GBADHM CCS(=O)(=O)NCC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821440969 607299140 /nfs/dbraw/zinc/29/91/40/607299140.db2.gz FUJYSFUAGFZFRD-UHFFFAOYSA-N -1 3 397.436 -0.406 20 0 GBADHM CCS(=O)(=O)NCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821440985 607299919 /nfs/dbraw/zinc/29/99/19/607299919.db2.gz GGJJEPMWDAAHBC-UHFFFAOYSA-N -1 3 397.436 -0.406 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC000821440994 606255092 /nfs/dbraw/zinc/25/50/92/606255092.db2.gz GQSRJHPQUWXOGS-UHFFFAOYSA-N -1 3 391.431 -0.477 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC000821440994 606255091 /nfs/dbraw/zinc/25/50/91/606255091.db2.gz GQSRJHPQUWXOGS-UHFFFAOYSA-N -1 3 391.431 -0.477 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821441247 607113404 /nfs/dbraw/zinc/11/34/04/607113404.db2.gz IRMYCVJMRQCDJM-SECBINFHSA-N -1 3 382.402 -0.324 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821441247 607113403 /nfs/dbraw/zinc/11/34/03/607113403.db2.gz IRMYCVJMRQCDJM-SECBINFHSA-N -1 3 382.402 -0.324 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821441248 607113048 /nfs/dbraw/zinc/11/30/48/607113048.db2.gz IRMYCVJMRQCDJM-VIFPVBQESA-N -1 3 382.402 -0.324 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821441248 607113046 /nfs/dbraw/zinc/11/30/46/607113046.db2.gz IRMYCVJMRQCDJM-VIFPVBQESA-N -1 3 382.402 -0.324 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821441264 606736051 /nfs/dbraw/zinc/73/60/51/606736051.db2.gz JJXCKBBNDJFRRH-UHFFFAOYSA-N -1 3 388.475 -0.432 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821441264 606736049 /nfs/dbraw/zinc/73/60/49/606736049.db2.gz JJXCKBBNDJFRRH-UHFFFAOYSA-N -1 3 388.475 -0.432 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC000821441277 607142220 /nfs/dbraw/zinc/14/22/20/607142220.db2.gz JTXWIWFVMHQVII-UHFFFAOYSA-N -1 3 379.395 -0.346 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000821441277 607142219 /nfs/dbraw/zinc/14/22/19/607142219.db2.gz JTXWIWFVMHQVII-UHFFFAOYSA-N -1 3 379.395 -0.346 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000821441368 606737743 /nfs/dbraw/zinc/73/77/43/606737743.db2.gz KWSSFVCUUGCTOS-UHFFFAOYSA-N -1 3 379.395 -0.346 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000821441368 606737742 /nfs/dbraw/zinc/73/77/42/606737742.db2.gz KWSSFVCUUGCTOS-UHFFFAOYSA-N -1 3 379.395 -0.346 20 0 GBADHM CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000821441454 607337627 /nfs/dbraw/zinc/33/76/27/607337627.db2.gz LRDGMXQOPMZEEI-UHFFFAOYSA-N -1 3 399.408 -0.610 20 0 GBADHM CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000821441454 607337626 /nfs/dbraw/zinc/33/76/26/607337626.db2.gz LRDGMXQOPMZEEI-UHFFFAOYSA-N -1 3 399.408 -0.610 20 0 GBADHM CCS(=O)(=O)NCCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000821441619 599437312 /nfs/dbraw/zinc/43/73/12/599437312.db2.gz MMZMGYRTGCPVFJ-UHFFFAOYSA-N -1 3 383.434 -0.516 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821441642 607113318 /nfs/dbraw/zinc/11/33/18/607113318.db2.gz MRNCCGWAABSCAO-SECBINFHSA-N -1 3 382.402 -0.324 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821441642 607113317 /nfs/dbraw/zinc/11/33/17/607113317.db2.gz MRNCCGWAABSCAO-SECBINFHSA-N -1 3 382.402 -0.324 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821441644 607113136 /nfs/dbraw/zinc/11/31/36/607113136.db2.gz MRNCCGWAABSCAO-VIFPVBQESA-N -1 3 382.402 -0.324 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821441644 607113135 /nfs/dbraw/zinc/11/31/35/607113135.db2.gz MRNCCGWAABSCAO-VIFPVBQESA-N -1 3 382.402 -0.324 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821441680 607113095 /nfs/dbraw/zinc/11/30/95/607113095.db2.gz NGXKXBFEMODCPA-GFCCVEGCSA-N -1 3 383.386 -0.437 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000821441680 607113093 /nfs/dbraw/zinc/11/30/93/607113093.db2.gz NGXKXBFEMODCPA-GFCCVEGCSA-N -1 3 383.386 -0.437 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000821441694 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CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000821442412 599597860 /nfs/dbraw/zinc/59/78/60/599597860.db2.gz RPPWWLQFOAKPRR-UHFFFAOYSA-N -1 3 381.418 -0.831 20 0 GBADHM CCS(=O)(=O)NCCNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000821442412 599597859 /nfs/dbraw/zinc/59/78/59/599597859.db2.gz RPPWWLQFOAKPRR-UHFFFAOYSA-N -1 3 381.418 -0.831 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000821442485 606737916 /nfs/dbraw/zinc/73/79/16/606737916.db2.gz TVEHZKRDLSNWHO-UHFFFAOYSA-N -1 3 392.438 -0.636 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000821442485 606737914 /nfs/dbraw/zinc/73/79/14/606737914.db2.gz TVEHZKRDLSNWHO-UHFFFAOYSA-N -1 3 392.438 -0.636 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000821442507 606739610 /nfs/dbraw/zinc/73/96/10/606739610.db2.gz UDORRTPLJIOTMO-UHFFFAOYSA-N -1 3 392.438 -0.636 20 0 GBADHM CCS(=O)(=O)NCCS(=O)(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000821442507 606739609 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384.393 -0.116 20 0 GBADHM CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821442913 606401610 /nfs/dbraw/zinc/40/16/10/606401610.db2.gz XEKOEYMGGBARAW-MRVPVSSYSA-N -1 3 384.393 -0.116 20 0 GBADHM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000821442914 606401368 /nfs/dbraw/zinc/40/13/68/606401368.db2.gz XEKOEYMGGBARAW-QMMMGPOBSA-N -1 3 384.393 -0.116 20 0 GBADHM CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000821442914 606401366 /nfs/dbraw/zinc/40/13/66/606401366.db2.gz XEKOEYMGGBARAW-QMMMGPOBSA-N -1 3 384.393 -0.116 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821442975 607113180 /nfs/dbraw/zinc/11/31/80/607113180.db2.gz ZPWSZDUSIWJVEI-GFCCVEGCSA-N -1 3 394.413 -0.546 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821442975 607113178 /nfs/dbraw/zinc/11/31/78/607113178.db2.gz ZPWSZDUSIWJVEI-GFCCVEGCSA-N -1 3 394.413 -0.546 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000821442976 607113306 /nfs/dbraw/zinc/11/33/06/607113306.db2.gz ZPWSZDUSIWJVEI-LBPRGKRZSA-N -1 3 394.413 -0.546 20 0 GBADHM CCS(=O)(=O)NCC(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000821442976 607113305 /nfs/dbraw/zinc/11/33/05/607113305.db2.gz ZPWSZDUSIWJVEI-LBPRGKRZSA-N -1 3 394.413 -0.546 20 0 GBADHM CCc1nnc(N(C)C[C@@H](O)CN2CCOCC2)c(-c2nn[n-]n2)c1CC ZINC000821516796 606942540 /nfs/dbraw/zinc/94/25/40/606942540.db2.gz CBDBQTUIAYZQKJ-GFCCVEGCSA-N -1 3 376.465 -0.089 20 0 GBADHM CCc1nnc(N(C)C[C@@H](O)CN2CCOCC2)c(-c2nnn[n-]2)c1CC ZINC000821516796 606942539 /nfs/dbraw/zinc/94/25/39/606942539.db2.gz CBDBQTUIAYZQKJ-GFCCVEGCSA-N -1 3 376.465 -0.089 20 0 GBADHM CCc1nnc(N(C)C[C@H](O)CN2CCOCC2)c(-c2nn[n-]n2)c1CC ZINC000821516799 606942834 /nfs/dbraw/zinc/94/28/34/606942834.db2.gz CBDBQTUIAYZQKJ-LBPRGKRZSA-N -1 3 376.465 -0.089 20 0 GBADHM CCc1nnc(N(C)C[C@H](O)CN2CCOCC2)c(-c2nnn[n-]2)c1CC ZINC000821516799 606942832 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GBADHM CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821636042 606623707 /nfs/dbraw/zinc/62/37/07/606623707.db2.gz CLXWSPXXTOREGO-ZDUSSCGKSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821636094 606590571 /nfs/dbraw/zinc/59/05/71/606590571.db2.gz FKGCQMIMFWEVLI-LLVKDONJSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821636094 606590569 /nfs/dbraw/zinc/59/05/69/606590569.db2.gz FKGCQMIMFWEVLI-LLVKDONJSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821636095 606590403 /nfs/dbraw/zinc/59/04/03/606590403.db2.gz FKGCQMIMFWEVLI-NSHDSACASA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821636095 606590401 /nfs/dbraw/zinc/59/04/01/606590401.db2.gz FKGCQMIMFWEVLI-NSHDSACASA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821636131 606590328 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-0.655 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821636232 606615056 /nfs/dbraw/zinc/61/50/56/606615056.db2.gz KKXNJTDZJYEAKM-LBPRGKRZSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821636232 606615055 /nfs/dbraw/zinc/61/50/55/606615055.db2.gz KKXNJTDZJYEAKM-LBPRGKRZSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)CC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821636257 606362650 /nfs/dbraw/zinc/36/26/50/606362650.db2.gz LLZBSJAMVVAIDA-UHFFFAOYSA-N -1 3 379.446 -0.499 20 0 GBADHM CNS(=O)(=O)CC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821636257 606362648 /nfs/dbraw/zinc/36/26/48/606362648.db2.gz LLZBSJAMVVAIDA-UHFFFAOYSA-N -1 3 379.446 -0.499 20 0 GBADHM CNS(=O)(=O)CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821636292 606310800 /nfs/dbraw/zinc/31/08/00/606310800.db2.gz MNEAETXFPUFKER-UHFFFAOYSA-N -1 3 383.409 -0.796 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821636308 606623603 /nfs/dbraw/zinc/62/36/03/606623603.db2.gz NCJGNIWUUWJCBN-AWEZNQCLSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821636308 606623601 /nfs/dbraw/zinc/62/36/01/606623601.db2.gz NCJGNIWUUWJCBN-AWEZNQCLSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000821636309 606623593 /nfs/dbraw/zinc/62/35/93/606623593.db2.gz NCJGNIWUUWJCBN-CQSZACIVSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000821636309 606623592 /nfs/dbraw/zinc/62/35/92/606623592.db2.gz NCJGNIWUUWJCBN-CQSZACIVSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)CC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000821636342 606807049 /nfs/dbraw/zinc/80/70/49/606807049.db2.gz OFNWAVGLGGOAPC-UHFFFAOYSA-N -1 3 395.445 -0.685 20 0 GBADHM CNS(=O)(=O)CC(=O)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000821636342 606807048 /nfs/dbraw/zinc/80/70/48/606807048.db2.gz OFNWAVGLGGOAPC-UHFFFAOYSA-N -1 3 395.445 -0.685 20 0 GBADHM CNS(=O)(=O)CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000821636365 606310746 /nfs/dbraw/zinc/31/07/46/606310746.db2.gz OONNOHDAWDRLAN-UHFFFAOYSA-N -1 3 379.446 -0.545 20 0 GBADHM CNS(=O)(=O)CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000821636365 606310745 /nfs/dbraw/zinc/31/07/45/606310745.db2.gz OONNOHDAWDRLAN-UHFFFAOYSA-N -1 3 379.446 -0.545 20 0 GBADHM CNS(=O)(=O)CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000821636438 607365457 /nfs/dbraw/zinc/36/54/57/607365457.db2.gz QMIKUZIKOCVPNR-UHFFFAOYSA-N -1 3 376.402 -0.578 20 0 GBADHM CNS(=O)(=O)CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000821636438 607365455 /nfs/dbraw/zinc/36/54/55/607365455.db2.gz QMIKUZIKOCVPNR-UHFFFAOYSA-N -1 3 376.402 -0.578 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821636445 606615042 /nfs/dbraw/zinc/61/50/42/606615042.db2.gz QVGYUXSOFZOGPO-GFCCVEGCSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821636445 606615041 /nfs/dbraw/zinc/61/50/41/606615041.db2.gz QVGYUXSOFZOGPO-GFCCVEGCSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000821636446 606615325 /nfs/dbraw/zinc/61/53/25/606615325.db2.gz QVGYUXSOFZOGPO-LBPRGKRZSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000821636446 606615324 /nfs/dbraw/zinc/61/53/24/606615324.db2.gz QVGYUXSOFZOGPO-LBPRGKRZSA-N -1 3 393.429 -0.655 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821636448 606590628 /nfs/dbraw/zinc/59/06/28/606590628.db2.gz QWLBHWHCILVSAY-CYBMUJFWSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000821636449 606590600 /nfs/dbraw/zinc/59/06/00/606590600.db2.gz QWLBHWHCILVSAY-ZDUSSCGKSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636471 606623733 /nfs/dbraw/zinc/62/37/33/606623733.db2.gz RNEKFQSQFGBERG-CHWSQXEVSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636471 606623731 /nfs/dbraw/zinc/62/37/31/606623731.db2.gz RNEKFQSQFGBERG-CHWSQXEVSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636472 606623852 /nfs/dbraw/zinc/62/38/52/606623852.db2.gz RNEKFQSQFGBERG-OLZOCXBDSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636472 606623850 /nfs/dbraw/zinc/62/38/50/606623850.db2.gz RNEKFQSQFGBERG-OLZOCXBDSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636473 606623567 /nfs/dbraw/zinc/62/35/67/606623567.db2.gz RNEKFQSQFGBERG-QWHCGFSZSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636473 606623565 /nfs/dbraw/zinc/62/35/65/606623565.db2.gz RNEKFQSQFGBERG-QWHCGFSZSA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636474 606623416 /nfs/dbraw/zinc/62/34/16/606623416.db2.gz RNEKFQSQFGBERG-STQMWFEESA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636474 606623415 /nfs/dbraw/zinc/62/34/15/606623415.db2.gz RNEKFQSQFGBERG-STQMWFEESA-N -1 3 379.446 -0.593 20 0 GBADHM CNS(=O)(=O)CC(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821636485 606360964 /nfs/dbraw/zinc/36/09/64/606360964.db2.gz RSCGJOPYMVUBQT-UHFFFAOYSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)CC(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821636485 606360963 /nfs/dbraw/zinc/36/09/63/606360963.db2.gz RSCGJOPYMVUBQT-UHFFFAOYSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)CCCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821636500 606778888 /nfs/dbraw/zinc/77/88/88/606778888.db2.gz SKYDAYKAIVKYGQ-LLVKDONJSA-N -1 3 381.466 -0.894 20 0 GBADHM CNS(=O)(=O)CCCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821636500 606778886 /nfs/dbraw/zinc/77/88/86/606778886.db2.gz SKYDAYKAIVKYGQ-LLVKDONJSA-N -1 3 381.466 -0.894 20 0 GBADHM CNS(=O)(=O)CCCN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821636501 606778599 /nfs/dbraw/zinc/77/85/99/606778599.db2.gz SKYDAYKAIVKYGQ-NSHDSACASA-N -1 3 381.466 -0.894 20 0 GBADHM CNS(=O)(=O)CCCN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821636501 606778597 /nfs/dbraw/zinc/77/85/97/606778597.db2.gz SKYDAYKAIVKYGQ-NSHDSACASA-N -1 3 381.466 -0.894 20 0 GBADHM CNS(=O)(=O)CC(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821636560 606360922 /nfs/dbraw/zinc/36/09/22/606360922.db2.gz VDYQUWTURQNTSW-UHFFFAOYSA-N -1 3 380.430 -0.214 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821636567 606623781 /nfs/dbraw/zinc/62/37/81/606623781.db2.gz VHWNJVBXUJFURF-AWEZNQCLSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821636567 606623778 /nfs/dbraw/zinc/62/37/78/606623778.db2.gz VHWNJVBXUJFURF-AWEZNQCLSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000821636568 606623927 /nfs/dbraw/zinc/62/39/27/606623927.db2.gz VHWNJVBXUJFURF-CQSZACIVSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000821636568 606623925 /nfs/dbraw/zinc/62/39/25/606623925.db2.gz VHWNJVBXUJFURF-CQSZACIVSA-N -1 3 393.473 -0.504 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821636578 606623419 /nfs/dbraw/zinc/62/34/19/606623419.db2.gz VNMDTTZHAGBXPI-SECBINFHSA-N -1 3 385.475 -0.120 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821636578 606623418 /nfs/dbraw/zinc/62/34/18/606623418.db2.gz VNMDTTZHAGBXPI-SECBINFHSA-N -1 3 385.475 -0.120 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000821636579 606623485 /nfs/dbraw/zinc/62/34/85/606623485.db2.gz VNMDTTZHAGBXPI-VIFPVBQESA-N -1 3 385.475 -0.120 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821636579 606623483 /nfs/dbraw/zinc/62/34/83/606623483.db2.gz VNMDTTZHAGBXPI-VIFPVBQESA-N -1 3 385.475 -0.120 20 0 GBADHM CNS(=O)(=O)CC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000821636601 606309711 /nfs/dbraw/zinc/30/97/11/606309711.db2.gz WCESXPJNTQOAKR-UHFFFAOYSA-N -1 3 383.409 -0.796 20 0 GBADHM CNS(=O)(=O)CC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000821636601 606309709 /nfs/dbraw/zinc/30/97/09/606309709.db2.gz WCESXPJNTQOAKR-UHFFFAOYSA-N -1 3 383.409 -0.796 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636638 606618809 /nfs/dbraw/zinc/61/88/09/606618809.db2.gz XJKZWEQXBWNVBW-LLVKDONJSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636638 606618807 /nfs/dbraw/zinc/61/88/07/606618807.db2.gz XJKZWEQXBWNVBW-LLVKDONJSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821636639 606618523 /nfs/dbraw/zinc/61/85/23/606618523.db2.gz XJKZWEQXBWNVBW-NSHDSACASA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821636639 606618521 /nfs/dbraw/zinc/61/85/21/606618521.db2.gz XJKZWEQXBWNVBW-NSHDSACASA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821636642 606623804 /nfs/dbraw/zinc/62/38/04/606623804.db2.gz XRZIHVXKYHGFLV-CYBMUJFWSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821636642 606623802 /nfs/dbraw/zinc/62/38/02/606623802.db2.gz XRZIHVXKYHGFLV-CYBMUJFWSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821636643 606623499 /nfs/dbraw/zinc/62/34/99/606623499.db2.gz XRZIHVXKYHGFLV-ZDUSSCGKSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000821636643 606623497 /nfs/dbraw/zinc/62/34/97/606623497.db2.gz XRZIHVXKYHGFLV-ZDUSSCGKSA-N -1 3 379.446 -0.181 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821636703 606618763 /nfs/dbraw/zinc/61/87/63/606618763.db2.gz ZHSDLSRLFAOEFN-JTQLQIEISA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000821636703 606618761 /nfs/dbraw/zinc/61/87/61/606618761.db2.gz ZHSDLSRLFAOEFN-JTQLQIEISA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821636704 606618558 /nfs/dbraw/zinc/61/85/58/606618558.db2.gz ZHSDLSRLFAOEFN-SNVBAGLBSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000821636704 606618556 /nfs/dbraw/zinc/61/85/56/606618556.db2.gz ZHSDLSRLFAOEFN-SNVBAGLBSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821636712 606618803 /nfs/dbraw/zinc/61/88/03/606618803.db2.gz ZMWVPPMNQURKDE-LLVKDONJSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821636712 606618801 /nfs/dbraw/zinc/61/88/01/606618801.db2.gz ZMWVPPMNQURKDE-LLVKDONJSA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821636713 606618821 /nfs/dbraw/zinc/61/88/21/606618821.db2.gz ZMWVPPMNQURKDE-NSHDSACASA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821636713 606618819 /nfs/dbraw/zinc/61/88/19/606618819.db2.gz ZMWVPPMNQURKDE-NSHDSACASA-N -1 3 386.459 -0.431 20 0 GBADHM CNS(=O)(=O)c1csc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)c1 ZINC000821637317 606760037 /nfs/dbraw/zinc/76/00/37/606760037.db2.gz ARUYKPCBHXMHLR-UHFFFAOYSA-N -1 3 398.430 -0.528 20 0 GBADHM CNS(=O)(=O)c1csc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c1 ZINC000821637317 606760035 /nfs/dbraw/zinc/76/00/35/606760035.db2.gz ARUYKPCBHXMHLR-UHFFFAOYSA-N -1 3 398.430 -0.528 20 0 GBADHM CNc1cc(N2CCC[C@H]2CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)ncn1 ZINC000821637344 607220376 /nfs/dbraw/zinc/22/03/76/607220376.db2.gz BWJBGDURBYRSIA-JTQLQIEISA-N -1 3 384.408 -0.925 20 0 GBADHM CNc1cc(N2CCC[C@@H]2CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)ncn1 ZINC000821637345 607220143 /nfs/dbraw/zinc/22/01/43/607220143.db2.gz BWJBGDURBYRSIA-SNVBAGLBSA-N -1 3 384.408 -0.925 20 0 GBADHM CNS(=O)(=O)c1ccc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)nc1 ZINC000821637350 606441761 /nfs/dbraw/zinc/44/17/61/606441761.db2.gz CDWIRBRZPYFXNN-UHFFFAOYSA-N -1 3 378.422 -0.480 20 0 GBADHM CNS(=O)(=O)c1ccc(N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)nc1 ZINC000821637466 606443499 /nfs/dbraw/zinc/44/34/99/606443499.db2.gz HBLBONMGOVKTKG-UHFFFAOYSA-N -1 3 392.449 -0.456 20 0 GBADHM CNS(=O)(=O)c1cc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)c(C)o1 ZINC000821637649 606760049 /nfs/dbraw/zinc/76/00/49/606760049.db2.gz OGKCOLOUNGLGJV-UHFFFAOYSA-N -1 3 396.389 -0.688 20 0 GBADHM CNc1cc2c(nn1)CCN(c1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)C2 ZINC000821637887 599531680 /nfs/dbraw/zinc/53/16/80/599531680.db2.gz XUTBGQQFLLEOER-UHFFFAOYSA-N -1 3 387.429 -0.092 20 0 GBADHM CNc1cc2c(nn1)CCN(c1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)C2 ZINC000821637887 599531678 /nfs/dbraw/zinc/53/16/78/599531678.db2.gz XUTBGQQFLLEOER-UHFFFAOYSA-N -1 3 387.429 -0.092 20 0 GBADHM COC(=O)C(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821638673 606995695 /nfs/dbraw/zinc/99/56/95/606995695.db2.gz FJYIAEBLNSZZNV-SECBINFHSA-N -1 3 396.429 -0.399 20 0 GBADHM COC(=O)C(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821638673 606995694 /nfs/dbraw/zinc/99/56/94/606995694.db2.gz FJYIAEBLNSZZNV-SECBINFHSA-N -1 3 396.429 -0.399 20 0 GBADHM COC(=O)C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821638674 606995790 /nfs/dbraw/zinc/99/57/90/606995790.db2.gz FJYIAEBLNSZZNV-VIFPVBQESA-N -1 3 396.429 -0.399 20 0 GBADHM COC(=O)C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821638674 606995788 /nfs/dbraw/zinc/99/57/88/606995788.db2.gz FJYIAEBLNSZZNV-VIFPVBQESA-N -1 3 396.429 -0.399 20 0 GBADHM COC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821638864 607121500 /nfs/dbraw/zinc/12/15/00/607121500.db2.gz JWWFUPKUMKDVAN-BDAKNGLRSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821638864 607121498 /nfs/dbraw/zinc/12/14/98/607121498.db2.gz JWWFUPKUMKDVAN-BDAKNGLRSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821638865 607121028 /nfs/dbraw/zinc/12/10/28/607121028.db2.gz JWWFUPKUMKDVAN-DTWKUNHWSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821638865 607121027 /nfs/dbraw/zinc/12/10/27/607121027.db2.gz JWWFUPKUMKDVAN-DTWKUNHWSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821638866 607121325 /nfs/dbraw/zinc/12/13/25/607121325.db2.gz JWWFUPKUMKDVAN-IUCAKERBSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821638866 607121323 /nfs/dbraw/zinc/12/13/23/607121323.db2.gz JWWFUPKUMKDVAN-IUCAKERBSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821638867 607121343 /nfs/dbraw/zinc/12/13/43/607121343.db2.gz JWWFUPKUMKDVAN-RKDXNWHRSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821638867 607121342 /nfs/dbraw/zinc/12/13/42/607121342.db2.gz JWWFUPKUMKDVAN-RKDXNWHRSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)/C(C)=C/COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821638965 606226744 /nfs/dbraw/zinc/22/67/44/606226744.db2.gz MAVNEKKSGQEFTR-JXMROGBWSA-N -1 3 395.397 -0.193 20 0 GBADHM COC(=O)/C(C)=C/COC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000821638965 606226743 /nfs/dbraw/zinc/22/67/43/606226743.db2.gz MAVNEKKSGQEFTR-JXMROGBWSA-N -1 3 395.397 -0.193 20 0 GBADHM COC(=O)/C(C)=C\COC(=O)CNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821638966 606226439 /nfs/dbraw/zinc/22/64/39/606226439.db2.gz MAVNEKKSGQEFTR-YFHOEESVSA-N -1 3 395.397 -0.193 20 0 GBADHM COC(=O)/C(C)=C\COC(=O)CNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000821638966 606226437 /nfs/dbraw/zinc/22/64/37/606226437.db2.gz MAVNEKKSGQEFTR-YFHOEESVSA-N -1 3 395.397 -0.193 20 0 GBADHM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000821639046 606841018 /nfs/dbraw/zinc/84/10/18/606841018.db2.gz NWMIMZWPSBQSOS-LLVKDONJSA-N -1 3 395.445 -0.477 20 0 GBADHM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000821639046 606841016 /nfs/dbraw/zinc/84/10/16/606841016.db2.gz NWMIMZWPSBQSOS-LLVKDONJSA-N -1 3 395.445 -0.477 20 0 GBADHM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000821639047 606840957 /nfs/dbraw/zinc/84/09/57/606840957.db2.gz NWMIMZWPSBQSOS-NSHDSACASA-N -1 3 395.445 -0.477 20 0 GBADHM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000821639047 606840956 /nfs/dbraw/zinc/84/09/56/606840956.db2.gz NWMIMZWPSBQSOS-NSHDSACASA-N -1 3 395.445 -0.477 20 0 GBADHM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821639056 606840881 /nfs/dbraw/zinc/84/08/81/606840881.db2.gz OKFZFHMAAWURLE-LLVKDONJSA-N -1 3 395.445 -0.477 20 0 GBADHM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821639056 606840880 /nfs/dbraw/zinc/84/08/80/606840880.db2.gz OKFZFHMAAWURLE-LLVKDONJSA-N -1 3 395.445 -0.477 20 0 GBADHM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000821639057 606840923 /nfs/dbraw/zinc/84/09/23/606840923.db2.gz OKFZFHMAAWURLE-NSHDSACASA-N -1 3 395.445 -0.477 20 0 GBADHM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000821639057 606840922 /nfs/dbraw/zinc/84/09/22/606840922.db2.gz OKFZFHMAAWURLE-NSHDSACASA-N -1 3 395.445 -0.477 20 0 GBADHM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821639136 606842840 /nfs/dbraw/zinc/84/28/40/606842840.db2.gz QLEQXAAUECGQCV-LLVKDONJSA-N -1 3 395.445 -0.477 20 0 GBADHM COC(=O)[C@H](C)CS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821639136 606842839 /nfs/dbraw/zinc/84/28/39/606842839.db2.gz QLEQXAAUECGQCV-LLVKDONJSA-N -1 3 395.445 -0.477 20 0 GBADHM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000821639137 606842536 /nfs/dbraw/zinc/84/25/36/606842536.db2.gz QLEQXAAUECGQCV-NSHDSACASA-N -1 3 395.445 -0.477 20 0 GBADHM COC(=O)[C@@H](C)CS(=O)(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000821639137 606842533 /nfs/dbraw/zinc/84/25/33/606842533.db2.gz QLEQXAAUECGQCV-NSHDSACASA-N -1 3 395.445 -0.477 20 0 GBADHM COC(=O)C(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821639190 606995584 /nfs/dbraw/zinc/99/55/84/606995584.db2.gz RQFGHEGYOQYICP-SECBINFHSA-N -1 3 396.429 -0.399 20 0 GBADHM COC(=O)C(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821639190 606995583 /nfs/dbraw/zinc/99/55/83/606995583.db2.gz RQFGHEGYOQYICP-SECBINFHSA-N -1 3 396.429 -0.399 20 0 GBADHM COC(=O)C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821639191 606995529 /nfs/dbraw/zinc/99/55/29/606995529.db2.gz RQFGHEGYOQYICP-VIFPVBQESA-N -1 3 396.429 -0.399 20 0 GBADHM COC(=O)C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821639191 606995528 /nfs/dbraw/zinc/99/55/28/606995528.db2.gz RQFGHEGYOQYICP-VIFPVBQESA-N -1 3 396.429 -0.399 20 0 GBADHM COC(=O)/C(C)=C/COC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821639228 606227164 /nfs/dbraw/zinc/22/71/64/606227164.db2.gz SMILKLYVUQNQAD-JXMROGBWSA-N -1 3 395.397 -0.193 20 0 GBADHM COC(=O)/C(C)=C/COC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821639228 606227162 /nfs/dbraw/zinc/22/71/62/606227162.db2.gz SMILKLYVUQNQAD-JXMROGBWSA-N -1 3 395.397 -0.193 20 0 GBADHM COC(=O)/C(C)=C\COC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821639229 606227148 /nfs/dbraw/zinc/22/71/48/606227148.db2.gz SMILKLYVUQNQAD-YFHOEESVSA-N -1 3 395.397 -0.193 20 0 GBADHM COC(=O)/C(C)=C\COC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821639229 606227146 /nfs/dbraw/zinc/22/71/46/606227146.db2.gz SMILKLYVUQNQAD-YFHOEESVSA-N -1 3 395.397 -0.193 20 0 GBADHM COC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821639261 607116876 /nfs/dbraw/zinc/11/68/76/607116876.db2.gz UCRXWMVRKGNHSO-BDAKNGLRSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821639261 607116875 /nfs/dbraw/zinc/11/68/75/607116875.db2.gz UCRXWMVRKGNHSO-BDAKNGLRSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821639262 607116897 /nfs/dbraw/zinc/11/68/97/607116897.db2.gz UCRXWMVRKGNHSO-DTWKUNHWSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821639262 607116896 /nfs/dbraw/zinc/11/68/96/607116896.db2.gz UCRXWMVRKGNHSO-DTWKUNHWSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821639263 607116515 /nfs/dbraw/zinc/11/65/15/607116515.db2.gz UCRXWMVRKGNHSO-IUCAKERBSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821639263 607116513 /nfs/dbraw/zinc/11/65/13/607116513.db2.gz UCRXWMVRKGNHSO-IUCAKERBSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821639264 607116459 /nfs/dbraw/zinc/11/64/59/607116459.db2.gz UCRXWMVRKGNHSO-RKDXNWHRSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@@H](C)OC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821639264 607116457 /nfs/dbraw/zinc/11/64/57/607116457.db2.gz UCRXWMVRKGNHSO-RKDXNWHRSA-N -1 3 383.386 -0.362 20 0 GBADHM COC(=O)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821639466 607020285 /nfs/dbraw/zinc/02/02/85/607020285.db2.gz ZKJCSSUPYJJTNH-NXEZZACHSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821639466 607020284 /nfs/dbraw/zinc/02/02/84/607020284.db2.gz ZKJCSSUPYJJTNH-NXEZZACHSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821639467 607020255 /nfs/dbraw/zinc/02/02/55/607020255.db2.gz ZKJCSSUPYJJTNH-UWVGGRQHSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821639467 607020254 /nfs/dbraw/zinc/02/02/54/607020254.db2.gz ZKJCSSUPYJJTNH-UWVGGRQHSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821639468 607020315 /nfs/dbraw/zinc/02/03/15/607020315.db2.gz ZKJCSSUPYJJTNH-VHSXEESVSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821639468 607020313 /nfs/dbraw/zinc/02/03/13/607020313.db2.gz ZKJCSSUPYJJTNH-VHSXEESVSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821639469 607020273 /nfs/dbraw/zinc/02/02/73/607020273.db2.gz ZKJCSSUPYJJTNH-ZJUUUORDSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821639469 607020272 /nfs/dbraw/zinc/02/02/72/607020272.db2.gz ZKJCSSUPYJJTNH-ZJUUUORDSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821639470 607020407 /nfs/dbraw/zinc/02/04/07/607020407.db2.gz ZLFNEBVNALYWHY-NXEZZACHSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821639470 607020405 /nfs/dbraw/zinc/02/04/05/607020405.db2.gz ZLFNEBVNALYWHY-NXEZZACHSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821639471 607020197 /nfs/dbraw/zinc/02/01/97/607020197.db2.gz ZLFNEBVNALYWHY-UWVGGRQHSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821639471 607020195 /nfs/dbraw/zinc/02/01/95/607020195.db2.gz ZLFNEBVNALYWHY-UWVGGRQHSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821639472 607020526 /nfs/dbraw/zinc/02/05/26/607020526.db2.gz ZLFNEBVNALYWHY-VHSXEESVSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821639472 607020524 /nfs/dbraw/zinc/02/05/24/607020524.db2.gz ZLFNEBVNALYWHY-VHSXEESVSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821639473 607020191 /nfs/dbraw/zinc/02/01/91/607020191.db2.gz ZLFNEBVNALYWHY-ZJUUUORDSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821639473 607020189 /nfs/dbraw/zinc/02/01/89/607020189.db2.gz ZLFNEBVNALYWHY-ZJUUUORDSA-N -1 3 396.429 -0.541 20 0 GBADHM COC(=O)[C@H](NCCOCCS(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821642747 606307923 /nfs/dbraw/zinc/30/79/23/606307923.db2.gz OVWHXIQKHSHYOO-CYBMUJFWSA-N -1 3 383.430 -0.268 20 0 GBADHM COC(=O)[C@H](NCCOCCS(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821642747 606307921 /nfs/dbraw/zinc/30/79/21/606307921.db2.gz 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606319457 /nfs/dbraw/zinc/31/94/57/606319457.db2.gz RXHKRZDSPOYCPG-WDEREUQCSA-N -1 3 378.414 -0.093 20 0 GBADHM COC(=O)[C@H]1COCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821656876 606509078 /nfs/dbraw/zinc/50/90/78/606509078.db2.gz BABJOLCRYZCPRV-CYBMUJFWSA-N -1 3 381.414 -0.486 20 0 GBADHM COC(=O)[C@H]1COCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821656876 606509077 /nfs/dbraw/zinc/50/90/77/606509077.db2.gz BABJOLCRYZCPRV-CYBMUJFWSA-N -1 3 381.414 -0.486 20 0 GBADHM COC(=O)[C@@H]1COCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821656877 606508786 /nfs/dbraw/zinc/50/87/86/606508786.db2.gz BABJOLCRYZCPRV-ZDUSSCGKSA-N -1 3 381.414 -0.486 20 0 GBADHM COC(=O)[C@@H]1COCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821656877 606508784 /nfs/dbraw/zinc/50/87/84/606508784.db2.gz BABJOLCRYZCPRV-ZDUSSCGKSA-N -1 3 381.414 -0.486 20 0 GBADHM COC(=O)[C@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821657113 606187898 /nfs/dbraw/zinc/18/78/98/606187898.db2.gz ICCRUMUKKLEATK-CYBMUJFWSA-N -1 3 381.414 -0.486 20 0 GBADHM COC(=O)[C@H]1CN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000821657113 606187897 /nfs/dbraw/zinc/18/78/97/606187897.db2.gz ICCRUMUKKLEATK-CYBMUJFWSA-N -1 3 381.414 -0.486 20 0 GBADHM COC(=O)[C@@H]1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821657114 606187752 /nfs/dbraw/zinc/18/77/52/606187752.db2.gz ICCRUMUKKLEATK-ZDUSSCGKSA-N -1 3 381.414 -0.486 20 0 GBADHM COC(=O)[C@@H]1CN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000821657114 606187749 /nfs/dbraw/zinc/18/77/49/606187749.db2.gz ICCRUMUKKLEATK-ZDUSSCGKSA-N -1 3 381.414 -0.486 20 0 GBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000821657703 606890458 /nfs/dbraw/zinc/89/04/58/606890458.db2.gz UEUJVAIWSCULLI-JTQLQIEISA-N -1 3 389.340 -0.293 20 0 GBADHM COC(=O)[C@@H]1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000821657703 606890457 /nfs/dbraw/zinc/89/04/57/606890457.db2.gz UEUJVAIWSCULLI-JTQLQIEISA-N -1 3 389.340 -0.293 20 0 GBADHM COC(=O)[C@H]1CN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCO1 ZINC000821657704 606890377 /nfs/dbraw/zinc/89/03/77/606890377.db2.gz UEUJVAIWSCULLI-SNVBAGLBSA-N -1 3 389.340 -0.293 20 0 GBADHM COC(=O)[C@H]1CN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CCO1 ZINC000821657704 606890375 /nfs/dbraw/zinc/89/03/75/606890375.db2.gz UEUJVAIWSCULLI-SNVBAGLBSA-N -1 3 389.340 -0.293 20 0 GBADHM COC(=O)[C@H]1COCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821657810 606578089 /nfs/dbraw/zinc/57/80/89/606578089.db2.gz WSDXBNJMTZLJEY-CYBMUJFWSA-N -1 3 398.383 -0.351 20 0 GBADHM COC(=O)[C@H]1COCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821657810 606578088 /nfs/dbraw/zinc/57/80/88/606578088.db2.gz WSDXBNJMTZLJEY-CYBMUJFWSA-N -1 3 398.383 -0.351 20 0 GBADHM COC(=O)[C@@H]1COCCN1C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000821657811 606578160 /nfs/dbraw/zinc/57/81/60/606578160.db2.gz WSDXBNJMTZLJEY-ZDUSSCGKSA-N -1 3 398.383 -0.351 20 0 GBADHM COC(=O)[C@@H]1COCCN1C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000821657811 606578159 /nfs/dbraw/zinc/57/81/59/606578159.db2.gz WSDXBNJMTZLJEY-ZDUSSCGKSA-N -1 3 398.383 -0.351 20 0 GBADHM COC(=O)[C@H]1COCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000821657842 606525608 /nfs/dbraw/zinc/52/56/08/606525608.db2.gz XEXNDTAUZTXUER-LLVKDONJSA-N -1 3 377.357 -0.346 20 0 GBADHM COC(=O)[C@H]1COCCN1C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000821657842 606525606 /nfs/dbraw/zinc/52/56/06/606525606.db2.gz XEXNDTAUZTXUER-LLVKDONJSA-N -1 3 377.357 -0.346 20 0 GBADHM COC(=O)[C@@H]1COCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000821657843 606525649 /nfs/dbraw/zinc/52/56/49/606525649.db2.gz XEXNDTAUZTXUER-NSHDSACASA-N -1 3 377.357 -0.346 20 0 GBADHM COC(=O)[C@@H]1COCCN1C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000821657843 606525648 /nfs/dbraw/zinc/52/56/48/606525648.db2.gz XEXNDTAUZTXUER-NSHDSACASA-N -1 3 377.357 -0.346 20 0 GBADHM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821657881 606894269 /nfs/dbraw/zinc/89/42/69/606894269.db2.gz YDMPNRHDKLDSJB-JTQLQIEISA-N -1 3 389.340 -0.293 20 0 GBADHM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821657881 606894267 /nfs/dbraw/zinc/89/42/67/606894267.db2.gz YDMPNRHDKLDSJB-JTQLQIEISA-N -1 3 389.340 -0.293 20 0 GBADHM COC(=O)[C@H]1COCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821657882 606894177 /nfs/dbraw/zinc/89/41/77/606894177.db2.gz YDMPNRHDKLDSJB-SNVBAGLBSA-N -1 3 389.340 -0.293 20 0 GBADHM COC(=O)[C@H]1COCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821657882 606894175 /nfs/dbraw/zinc/89/41/75/606894175.db2.gz YDMPNRHDKLDSJB-SNVBAGLBSA-N -1 3 389.340 -0.293 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000821658589 606458567 /nfs/dbraw/zinc/45/85/67/606458567.db2.gz BQWBDXDDFRRYQR-JTQLQIEISA-N -1 3 392.347 -0.265 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000821658589 606458566 /nfs/dbraw/zinc/45/85/66/606458566.db2.gz BQWBDXDDFRRYQR-JTQLQIEISA-N -1 3 392.347 -0.265 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000821658590 606458646 /nfs/dbraw/zinc/45/86/46/606458646.db2.gz BQWBDXDDFRRYQR-SNVBAGLBSA-N -1 3 392.347 -0.265 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000821658590 606458644 /nfs/dbraw/zinc/45/86/44/606458644.db2.gz BQWBDXDDFRRYQR-SNVBAGLBSA-N -1 3 392.347 -0.265 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821658639 599559435 /nfs/dbraw/zinc/55/94/35/599559435.db2.gz DDANBDGGCBJJHF-GFCCVEGCSA-N -1 3 398.383 -0.220 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821658639 599559433 /nfs/dbraw/zinc/55/94/33/599559433.db2.gz DDANBDGGCBJJHF-GFCCVEGCSA-N -1 3 398.383 -0.220 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821658640 599559634 /nfs/dbraw/zinc/55/96/34/599559634.db2.gz DDANBDGGCBJJHF-LBPRGKRZSA-N -1 3 398.383 -0.220 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821658640 599559631 /nfs/dbraw/zinc/55/96/31/599559631.db2.gz DDANBDGGCBJJHF-LBPRGKRZSA-N -1 3 398.383 -0.220 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCO1 ZINC000821658800 607278982 /nfs/dbraw/zinc/27/89/82/607278982.db2.gz IYEJZKSEMQPZTL-LLVKDONJSA-N -1 3 388.384 -0.096 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCO1 ZINC000821658800 607278981 /nfs/dbraw/zinc/27/89/81/607278981.db2.gz IYEJZKSEMQPZTL-LLVKDONJSA-N -1 3 388.384 -0.096 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCO1 ZINC000821658801 607279036 /nfs/dbraw/zinc/27/90/36/607279036.db2.gz IYEJZKSEMQPZTL-NSHDSACASA-N -1 3 388.384 -0.096 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCO1 ZINC000821658801 607279035 /nfs/dbraw/zinc/27/90/35/607279035.db2.gz IYEJZKSEMQPZTL-NSHDSACASA-N -1 3 388.384 -0.096 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000821658874 606458486 /nfs/dbraw/zinc/45/84/86/606458486.db2.gz LMHUVRYPZDCHSP-GFCCVEGCSA-N -1 3 388.384 -0.096 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000821658874 606458485 /nfs/dbraw/zinc/45/84/85/606458485.db2.gz LMHUVRYPZDCHSP-GFCCVEGCSA-N -1 3 388.384 -0.096 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CCO1 ZINC000821658875 606458323 /nfs/dbraw/zinc/45/83/23/606458323.db2.gz LMHUVRYPZDCHSP-LBPRGKRZSA-N -1 3 388.384 -0.096 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CCO1 ZINC000821658875 606458321 /nfs/dbraw/zinc/45/83/21/606458321.db2.gz LMHUVRYPZDCHSP-LBPRGKRZSA-N -1 3 388.384 -0.096 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CCO1 ZINC000821658885 606587111 /nfs/dbraw/zinc/58/71/11/606587111.db2.gz LONXDWRMMUXSPH-LLVKDONJSA-N -1 3 390.404 -0.353 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CCO1 ZINC000821658885 606587110 /nfs/dbraw/zinc/58/71/10/606587110.db2.gz LONXDWRMMUXSPH-LLVKDONJSA-N -1 3 390.404 -0.353 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)CCO1 ZINC000821658886 606587065 /nfs/dbraw/zinc/58/70/65/606587065.db2.gz LONXDWRMMUXSPH-NSHDSACASA-N -1 3 390.404 -0.353 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)CCO1 ZINC000821658886 606587064 /nfs/dbraw/zinc/58/70/64/606587064.db2.gz LONXDWRMMUXSPH-NSHDSACASA-N -1 3 390.404 -0.353 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000821658891 606587139 /nfs/dbraw/zinc/58/71/39/606587139.db2.gz LSHZPEHVQHMVPY-GFCCVEGCSA-N -1 3 390.404 -0.353 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000821658891 606587138 /nfs/dbraw/zinc/58/71/38/606587138.db2.gz LSHZPEHVQHMVPY-GFCCVEGCSA-N -1 3 390.404 -0.353 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC000821658892 606586870 /nfs/dbraw/zinc/58/68/70/606586870.db2.gz LSHZPEHVQHMVPY-LBPRGKRZSA-N -1 3 390.404 -0.353 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC000821658892 606586868 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GBADHM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000821659201 606458409 /nfs/dbraw/zinc/45/84/09/606458409.db2.gz VMNKGLXWQYAKIT-JTQLQIEISA-N -1 3 392.347 -0.265 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000821659202 606458310 /nfs/dbraw/zinc/45/83/10/606458310.db2.gz VMNKGLXWQYAKIT-SNVBAGLBSA-N -1 3 392.347 -0.265 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CCO1 ZINC000821659202 606458309 /nfs/dbraw/zinc/45/83/09/606458309.db2.gz VMNKGLXWQYAKIT-SNVBAGLBSA-N -1 3 392.347 -0.265 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000821659248 607343413 /nfs/dbraw/zinc/34/34/13/607343413.db2.gz XBZGIIGCZOLQID-JTQLQIEISA-N -1 3 392.347 -0.265 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC000821659248 607343412 /nfs/dbraw/zinc/34/34/12/607343412.db2.gz XBZGIIGCZOLQID-JTQLQIEISA-N -1 3 392.347 -0.265 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000821659249 607343539 /nfs/dbraw/zinc/34/35/39/607343539.db2.gz XBZGIIGCZOLQID-SNVBAGLBSA-N -1 3 392.347 -0.265 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC000821659249 607343538 /nfs/dbraw/zinc/34/35/38/607343538.db2.gz XBZGIIGCZOLQID-SNVBAGLBSA-N -1 3 392.347 -0.265 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821659260 606585332 /nfs/dbraw/zinc/58/53/32/606585332.db2.gz XNKHGXPFVYJOSL-CYBMUJFWSA-N -1 3 388.384 -0.613 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000821659260 606585331 /nfs/dbraw/zinc/58/53/31/606585331.db2.gz XNKHGXPFVYJOSL-CYBMUJFWSA-N -1 3 388.384 -0.613 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000821659261 606585290 /nfs/dbraw/zinc/58/52/90/606585290.db2.gz XNKHGXPFVYJOSL-ZDUSSCGKSA-N -1 3 388.384 -0.613 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000821659261 606585289 /nfs/dbraw/zinc/58/52/89/606585289.db2.gz XNKHGXPFVYJOSL-ZDUSSCGKSA-N -1 3 388.384 -0.613 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821659262 599559426 /nfs/dbraw/zinc/55/94/26/599559426.db2.gz XOMWAIZGNDZGBB-GFCCVEGCSA-N -1 3 398.383 -0.220 20 0 GBADHM COC(=O)C[C@@H]1C(=O)NCCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821659262 599559423 /nfs/dbraw/zinc/55/94/23/599559423.db2.gz XOMWAIZGNDZGBB-GFCCVEGCSA-N -1 3 398.383 -0.220 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1Cc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821659263 599559148 /nfs/dbraw/zinc/55/91/48/599559148.db2.gz XOMWAIZGNDZGBB-LBPRGKRZSA-N -1 3 398.383 -0.220 20 0 GBADHM COC(=O)C[C@H]1C(=O)NCCN1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821659263 599559146 /nfs/dbraw/zinc/55/91/46/599559146.db2.gz XOMWAIZGNDZGBB-LBPRGKRZSA-N -1 3 398.383 -0.220 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CCO1 ZINC000821659271 606458317 /nfs/dbraw/zinc/45/83/17/606458317.db2.gz XUSVCJPOJGMQCD-LLVKDONJSA-N -1 3 388.384 -0.096 20 0 GBADHM COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CCO1 ZINC000821659271 606458315 /nfs/dbraw/zinc/45/83/15/606458315.db2.gz XUSVCJPOJGMQCD-LLVKDONJSA-N -1 3 388.384 -0.096 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)CCO1 ZINC000821659272 606458607 /nfs/dbraw/zinc/45/86/07/606458607.db2.gz XUSVCJPOJGMQCD-NSHDSACASA-N -1 3 388.384 -0.096 20 0 GBADHM COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)CCO1 ZINC000821659272 606458606 /nfs/dbraw/zinc/45/86/06/606458606.db2.gz XUSVCJPOJGMQCD-NSHDSACASA-N -1 3 388.384 -0.096 20 0 GBADHM COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000821660015 606435283 /nfs/dbraw/zinc/43/52/83/606435283.db2.gz CMIQZGBOGVRGHS-JTQLQIEISA-N -1 3 385.377 -0.042 20 0 GBADHM COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC000821660015 606435282 /nfs/dbraw/zinc/43/52/82/606435282.db2.gz CMIQZGBOGVRGHS-JTQLQIEISA-N -1 3 385.377 -0.042 20 0 GBADHM COC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000821660016 606435404 /nfs/dbraw/zinc/43/54/04/606435404.db2.gz CMIQZGBOGVRGHS-SNVBAGLBSA-N -1 3 385.377 -0.042 20 0 GBADHM COC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC000821660016 606435402 /nfs/dbraw/zinc/43/54/02/606435402.db2.gz CMIQZGBOGVRGHS-SNVBAGLBSA-N -1 3 385.377 -0.042 20 0 GBADHM COC(=O)C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000821660038 606435337 /nfs/dbraw/zinc/43/53/37/606435337.db2.gz DKZXJAHRUMUWEX-SECBINFHSA-N -1 3 385.377 -0.042 20 0 GBADHM COC(=O)C[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC000821660039 606435159 /nfs/dbraw/zinc/43/51/59/606435159.db2.gz DKZXJAHRUMUWEX-VIFPVBQESA-N -1 3 385.377 -0.042 20 0 GBADHM COC(=O)C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CCO1 ZINC000821660086 606428044 /nfs/dbraw/zinc/42/80/44/606428044.db2.gz FJHHRVUTROFCBD-SECBINFHSA-N -1 3 382.402 -0.718 20 0 GBADHM COC(=O)C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CCO1 ZINC000821660086 606428042 /nfs/dbraw/zinc/42/80/42/606428042.db2.gz 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COC(=O)C[C@H]1CN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000821660289 606455121 /nfs/dbraw/zinc/45/51/21/606455121.db2.gz LZQHFHJYVXEAEO-ZDUSSCGKSA-N -1 3 395.441 -0.096 20 0 GBADHM COC(=O)C[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000821660378 606435015 /nfs/dbraw/zinc/43/50/15/606435015.db2.gz PADNNDQJDYCGBV-CYBMUJFWSA-N -1 3 381.414 -0.040 20 0 GBADHM COC(=O)C[C@@H]1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000821660378 606435013 /nfs/dbraw/zinc/43/50/13/606435013.db2.gz PADNNDQJDYCGBV-CYBMUJFWSA-N -1 3 381.414 -0.040 20 0 GBADHM COC(=O)C[C@H]1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000821660379 606435027 /nfs/dbraw/zinc/43/50/27/606435027.db2.gz PADNNDQJDYCGBV-ZDUSSCGKSA-N -1 3 381.414 -0.040 20 0 GBADHM COC(=O)C[C@H]1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000821660379 606435025 /nfs/dbraw/zinc/43/50/25/606435025.db2.gz PADNNDQJDYCGBV-ZDUSSCGKSA-N -1 3 381.414 -0.040 20 0 GBADHM COC(=O)CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821660547 606986065 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GBADHM COC(=O)N1CC(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC000821663832 607302476 /nfs/dbraw/zinc/30/24/76/607302476.db2.gz PYCVKQVITIHNJM-UHFFFAOYSA-N -1 3 387.404 -0.456 20 0 GBADHM COC(=O)N1CC(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000821663832 607302475 /nfs/dbraw/zinc/30/24/75/607302475.db2.gz PYCVKQVITIHNJM-UHFFFAOYSA-N -1 3 387.404 -0.456 20 0 GBADHM COC(=O)Cn1cc(CCOC(=O)COc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000821663848 607446552 /nfs/dbraw/zinc/44/65/52/607446552.db2.gz QOIHCOTYAULBDC-UHFFFAOYSA-N -1 3 387.356 -0.204 20 0 GBADHM COC(=O)Cn1cc(CCN2CCN(c3ncccc3-c3nnn[n-]3)CC2)nn1 ZINC000821663858 607507716 /nfs/dbraw/zinc/50/77/16/607507716.db2.gz RDALSJPAYSRXEY-UHFFFAOYSA-N -1 3 398.431 -0.609 20 0 GBADHM COC(=O)Cn1ncc2c1ncn(C[C@@H](O)c1ccc(-c3nn[n-]n3)cc1)c2=O ZINC000821663920 945784011 /nfs/dbraw/zinc/78/40/11/945784011.db2.gz UANBCNCHPREELP-CYBMUJFWSA-N -1 3 396.367 -0.320 20 0 GBADHM COC(=O)Cn1ncc2c1ncn(C[C@@H](O)c1ccc(-c3nnn[n-]3)cc1)c2=O ZINC000821663920 945784003 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GBADHM COC(=O)Cn1cc(CCOC(=O)COc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000821663932 607446156 /nfs/dbraw/zinc/44/61/56/607446156.db2.gz UNZYTDBZNCEDMA-UHFFFAOYSA-N -1 3 387.356 -0.204 20 0 GBADHM COC(=O)Cn1cc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000821663948 599342866 /nfs/dbraw/zinc/34/28/66/599342866.db2.gz VUPCHESGKLURFZ-UHFFFAOYSA-N -1 3 395.376 -0.146 20 0 GBADHM COC(=O)Cn1cc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000821663948 599342863 /nfs/dbraw/zinc/34/28/63/599342863.db2.gz VUPCHESGKLURFZ-UHFFFAOYSA-N -1 3 395.376 -0.146 20 0 GBADHM COC(=O)Cn1cc(CCOC(=O)CNc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000821664027 607504153 /nfs/dbraw/zinc/50/41/53/607504153.db2.gz ZNOYCJXBMLZLQX-UHFFFAOYSA-N -1 3 386.372 -0.171 20 0 GBADHM COC(=O)Cn1cc(CCOC(=O)COc2ccccc2-c2nn[n-]n2)nn1 ZINC000821664031 607446455 /nfs/dbraw/zinc/44/64/55/607446455.db2.gz ZWMRBSFPNYWLFV-UHFFFAOYSA-N -1 3 387.356 -0.204 20 0 GBADHM COC(=O)Cn1cc(CCOC(=O)COc2ccccc2-c2nnn[n-]2)nn1 ZINC000821664031 607446454 /nfs/dbraw/zinc/44/64/54/607446454.db2.gz ZWMRBSFPNYWLFV-UHFFFAOYSA-N -1 3 387.356 -0.204 20 0 GBADHM COC(=O)NCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821664783 607091260 /nfs/dbraw/zinc/09/12/60/607091260.db2.gz JEMLWPKDENMYFO-SECBINFHSA-N -1 3 398.401 -0.567 20 0 GBADHM COC(=O)NCCOC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821664783 607091259 /nfs/dbraw/zinc/09/12/59/607091259.db2.gz JEMLWPKDENMYFO-SECBINFHSA-N -1 3 398.401 -0.567 20 0 GBADHM COC(=O)NCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821664784 607091368 /nfs/dbraw/zinc/09/13/68/607091368.db2.gz JEMLWPKDENMYFO-VIFPVBQESA-N -1 3 398.401 -0.567 20 0 GBADHM COC(=O)NCCOC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821664784 607091366 /nfs/dbraw/zinc/09/13/66/607091366.db2.gz JEMLWPKDENMYFO-VIFPVBQESA-N -1 3 398.401 -0.567 20 0 GBADHM COC(=O)NCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821664922 607091389 /nfs/dbraw/zinc/09/13/89/607091389.db2.gz NZNXNLKLKNLGDZ-SECBINFHSA-N -1 3 398.401 -0.567 20 0 GBADHM COC(=O)NCCOC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821664922 607091387 /nfs/dbraw/zinc/09/13/87/607091387.db2.gz NZNXNLKLKNLGDZ-SECBINFHSA-N -1 3 398.401 -0.567 20 0 GBADHM COC(=O)NCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821664923 607091521 /nfs/dbraw/zinc/09/15/21/607091521.db2.gz NZNXNLKLKNLGDZ-VIFPVBQESA-N -1 3 398.401 -0.567 20 0 GBADHM COC(=O)NCCOC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821664923 607091520 /nfs/dbraw/zinc/09/15/20/607091520.db2.gz NZNXNLKLKNLGDZ-VIFPVBQESA-N -1 3 398.401 -0.567 20 0 GBADHM COC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000821664976 606397075 /nfs/dbraw/zinc/39/70/75/606397075.db2.gz QNDAXHLAUXWSNR-UHFFFAOYSA-N -1 3 377.336 -0.145 20 0 GBADHM COC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000821664976 606397072 /nfs/dbraw/zinc/39/70/72/606397072.db2.gz QNDAXHLAUXWSNR-UHFFFAOYSA-N -1 3 377.336 -0.145 20 0 GBADHM COC(=O)N1CC(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC000821664989 607325131 /nfs/dbraw/zinc/32/51/31/607325131.db2.gz RCILBMGQLCVROI-UHFFFAOYSA-N -1 3 383.372 -0.185 20 0 GBADHM COC(=O)N1CC(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC000821664989 607325130 /nfs/dbraw/zinc/32/51/30/607325130.db2.gz RCILBMGQLCVROI-UHFFFAOYSA-N -1 3 383.372 -0.185 20 0 GBADHM COC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000821665047 607336321 /nfs/dbraw/zinc/33/63/21/607336321.db2.gz SURPXTPMJFVNAC-UHFFFAOYSA-N -1 3 377.336 -0.145 20 0 GBADHM COC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000821665047 607336319 /nfs/dbraw/zinc/33/63/19/607336319.db2.gz SURPXTPMJFVNAC-UHFFFAOYSA-N -1 3 377.336 -0.145 20 0 GBADHM COC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821665835 606990765 /nfs/dbraw/zinc/99/07/65/606990765.db2.gz DYLNSHZLJKOOKF-BDAKNGLRSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821665835 606990763 /nfs/dbraw/zinc/99/07/63/606990763.db2.gz DYLNSHZLJKOOKF-BDAKNGLRSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821665836 607063841 /nfs/dbraw/zinc/06/38/41/607063841.db2.gz DYLNSHZLJKOOKF-DTWKUNHWSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821665836 607063839 /nfs/dbraw/zinc/06/38/39/607063839.db2.gz DYLNSHZLJKOOKF-DTWKUNHWSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821665837 606990691 /nfs/dbraw/zinc/99/06/91/606990691.db2.gz DYLNSHZLJKOOKF-IUCAKERBSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821665837 606990690 /nfs/dbraw/zinc/99/06/90/606990690.db2.gz DYLNSHZLJKOOKF-IUCAKERBSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821665838 607063862 /nfs/dbraw/zinc/06/38/62/607063862.db2.gz DYLNSHZLJKOOKF-RKDXNWHRSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821665838 607063860 /nfs/dbraw/zinc/06/38/60/607063860.db2.gz DYLNSHZLJKOOKF-RKDXNWHRSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821665889 606990654 /nfs/dbraw/zinc/99/06/54/606990654.db2.gz IWMVPZICFVTTTD-BDAKNGLRSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821665889 606990653 /nfs/dbraw/zinc/99/06/53/606990653.db2.gz IWMVPZICFVTTTD-BDAKNGLRSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821665890 607063942 /nfs/dbraw/zinc/06/39/42/607063942.db2.gz IWMVPZICFVTTTD-DTWKUNHWSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821665890 607063940 /nfs/dbraw/zinc/06/39/40/607063940.db2.gz IWMVPZICFVTTTD-DTWKUNHWSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821665891 606990397 /nfs/dbraw/zinc/99/03/97/606990397.db2.gz IWMVPZICFVTTTD-IUCAKERBSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821665891 606990394 /nfs/dbraw/zinc/99/03/94/606990394.db2.gz IWMVPZICFVTTTD-IUCAKERBSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821665892 607063971 /nfs/dbraw/zinc/06/39/71/607063971.db2.gz IWMVPZICFVTTTD-RKDXNWHRSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821665892 607063969 /nfs/dbraw/zinc/06/39/69/607063969.db2.gz IWMVPZICFVTTTD-RKDXNWHRSA-N -1 3 382.402 -0.789 20 0 GBADHM COC(=O)[C@@H]1C[C@@H](O)CN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821666026 606188198 /nfs/dbraw/zinc/18/81/98/606188198.db2.gz SMSGFFCHSVBVBB-YPMHNXCESA-N -1 3 381.414 -0.751 20 0 GBADHM COC(=O)[C@@H]1C[C@@H](O)CN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821666026 606188196 /nfs/dbraw/zinc/18/81/96/606188196.db2.gz SMSGFFCHSVBVBB-YPMHNXCESA-N -1 3 381.414 -0.751 20 0 GBADHM COC(=O)c1cc(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)c[nH]1 ZINC000821667805 599340638 /nfs/dbraw/zinc/34/06/38/599340638.db2.gz AWCZGDDHXUKZIN-UHFFFAOYSA-N -1 3 392.401 -0.233 20 0 GBADHM COC(=O)c1cc(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)c[nH]1 ZINC000821667805 599340634 /nfs/dbraw/zinc/34/06/34/599340634.db2.gz AWCZGDDHXUKZIN-UHFFFAOYSA-N -1 3 392.401 -0.233 20 0 GBADHM COC(=O)c1cc(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c[nH]1 ZINC000821668020 599338478 /nfs/dbraw/zinc/33/84/78/599338478.db2.gz LMLYJGBMAWPWJO-UHFFFAOYSA-N -1 3 392.401 -0.233 20 0 GBADHM COC(=O)c1cc(S(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c[nH]1 ZINC000821668020 599338476 /nfs/dbraw/zinc/33/84/76/599338476.db2.gz LMLYJGBMAWPWJO-UHFFFAOYSA-N -1 3 392.401 -0.233 20 0 GBADHM COC(=O)c1cn(CC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)nn1 ZINC000821671162 606152285 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COC[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821681024 607051779 /nfs/dbraw/zinc/05/17/79/607051779.db2.gz AABCZNIORSYNAY-BONVTDFDSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821681024 607051777 /nfs/dbraw/zinc/05/17/77/607051777.db2.gz AABCZNIORSYNAY-BONVTDFDSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821681025 607051695 /nfs/dbraw/zinc/05/16/95/607051695.db2.gz AABCZNIORSYNAY-MEBBXXQBSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821681025 607051694 /nfs/dbraw/zinc/05/16/94/607051694.db2.gz AABCZNIORSYNAY-MEBBXXQBSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821681026 607051660 /nfs/dbraw/zinc/05/16/60/607051660.db2.gz AABCZNIORSYNAY-ZUZCIYMTSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821681026 607051658 /nfs/dbraw/zinc/05/16/58/607051658.db2.gz AABCZNIORSYNAY-ZUZCIYMTSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](C)NC(=O)NC(=O)COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821681189 606146257 /nfs/dbraw/zinc/14/62/57/606146257.db2.gz DMGVMGAPZUIUOA-JTQLQIEISA-N -1 3 376.373 -0.187 20 0 GBADHM COC[C@H](C)NC(=O)NC(=O)COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821681189 606146256 /nfs/dbraw/zinc/14/62/56/606146256.db2.gz DMGVMGAPZUIUOA-JTQLQIEISA-N -1 3 376.373 -0.187 20 0 GBADHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821681190 606146643 /nfs/dbraw/zinc/14/66/43/606146643.db2.gz DMGVMGAPZUIUOA-SNVBAGLBSA-N -1 3 376.373 -0.187 20 0 GBADHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821681190 606146641 /nfs/dbraw/zinc/14/66/41/606146641.db2.gz DMGVMGAPZUIUOA-SNVBAGLBSA-N -1 3 376.373 -0.187 20 0 GBADHM COC[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821681410 607051806 /nfs/dbraw/zinc/05/18/06/607051806.db2.gz KBATVOHOCMCSKU-BMIGLBTASA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821681410 607051805 /nfs/dbraw/zinc/05/18/05/607051805.db2.gz KBATVOHOCMCSKU-BMIGLBTASA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821681411 607051648 /nfs/dbraw/zinc/05/16/48/607051648.db2.gz KBATVOHOCMCSKU-BONVTDFDSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@](C)(O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821681411 607051646 /nfs/dbraw/zinc/05/16/46/607051646.db2.gz KBATVOHOCMCSKU-BONVTDFDSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821681412 607051521 /nfs/dbraw/zinc/05/15/21/607051521.db2.gz KBATVOHOCMCSKU-MEBBXXQBSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@](C)(O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821681412 607051518 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381.780 -0.663 20 0 GBADHM COCCNC(=O)c1ccc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)nc1 ZINC000821691511 606441807 /nfs/dbraw/zinc/44/18/07/606441807.db2.gz XAGLYMZPYGNCQQ-UHFFFAOYSA-N -1 3 386.420 -0.012 20 0 GBADHM COCCNC(=O)CN1CCN(Cc2cc(-c3nn[n-]n3)ccc2OC)CC1 ZINC000821691517 607461807 /nfs/dbraw/zinc/46/18/07/607461807.db2.gz XEVULHCFIXISRF-UHFFFAOYSA-N -1 3 389.460 -0.245 20 0 GBADHM COCCOC[C@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821692336 599611758 /nfs/dbraw/zinc/61/17/58/599611758.db2.gz VGCQGLIDCKUKDR-JTQLQIEISA-N -1 3 378.389 -0.019 20 0 GBADHM COCCOC[C@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821692336 599611757 /nfs/dbraw/zinc/61/17/57/599611757.db2.gz VGCQGLIDCKUKDR-JTQLQIEISA-N -1 3 378.389 -0.019 20 0 GBADHM COCCOC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000821692337 599611463 /nfs/dbraw/zinc/61/14/63/599611463.db2.gz VGCQGLIDCKUKDR-SNVBAGLBSA-N -1 3 378.389 -0.019 20 0 GBADHM COCCOC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000821692337 599611461 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COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCCC(=O)NC(N)=O ZINC000821701090 606614746 /nfs/dbraw/zinc/61/47/46/606614746.db2.gz ATBTZYPKRRTUCR-UHFFFAOYSA-N -1 3 391.388 -0.265 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCCC(=O)NC(N)=O ZINC000821701090 606614744 /nfs/dbraw/zinc/61/47/44/606614744.db2.gz ATBTZYPKRRTUCR-UHFFFAOYSA-N -1 3 391.388 -0.265 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCC(=O)NCCO ZINC000821701109 606833405 /nfs/dbraw/zinc/83/34/05/606833405.db2.gz BKMUFZKHHAIAGZ-UHFFFAOYSA-N -1 3 378.389 -0.741 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCC(=O)NCCO ZINC000821701109 606833404 /nfs/dbraw/zinc/83/34/04/606833404.db2.gz BKMUFZKHHAIAGZ-UHFFFAOYSA-N -1 3 378.389 -0.741 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000821701569 607446589 /nfs/dbraw/zinc/44/65/89/607446589.db2.gz TVSBDATVXIDQTB-LLVKDONJSA-N -1 3 388.384 -0.044 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@@H]1CCC(=O)NC1=O ZINC000821701569 607446588 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KDGXQZDUODVBPM-NSHDSACASA-N -1 3 389.416 -0.661 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCn2nc(C)nc2C1 ZINC000821755989 606817237 /nfs/dbraw/zinc/81/72/37/606817237.db2.gz LEXSWQUGMQLIRG-UHFFFAOYSA-N -1 3 383.372 -0.244 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCn2nc(C)nc2C1 ZINC000821755989 606817235 /nfs/dbraw/zinc/81/72/35/606817235.db2.gz LEXSWQUGMQLIRG-UHFFFAOYSA-N -1 3 383.372 -0.244 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000821756017 606612751 /nfs/dbraw/zinc/61/27/51/606612751.db2.gz LSDKNIWAZQTITR-IRUJWGPZSA-N -1 3 399.411 -0.061 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000821756017 606612749 /nfs/dbraw/zinc/61/27/49/606612749.db2.gz LSDKNIWAZQTITR-IRUJWGPZSA-N -1 3 399.411 -0.061 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000821756019 606612872 /nfs/dbraw/zinc/61/28/72/606612872.db2.gz LSDKNIWAZQTITR-NDMJEZRESA-N -1 3 399.411 -0.061 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000821756019 606612871 /nfs/dbraw/zinc/61/28/71/606612871.db2.gz LSDKNIWAZQTITR-NDMJEZRESA-N -1 3 399.411 -0.061 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000821756021 606612798 /nfs/dbraw/zinc/61/27/98/606612798.db2.gz LSDKNIWAZQTITR-UFGOTCBOSA-N -1 3 399.411 -0.061 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000821756021 606612797 /nfs/dbraw/zinc/61/27/97/606612797.db2.gz LSDKNIWAZQTITR-UFGOTCBOSA-N -1 3 399.411 -0.061 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000821756022 606612777 /nfs/dbraw/zinc/61/27/77/606612777.db2.gz LSDKNIWAZQTITR-XWIASGKRSA-N -1 3 399.411 -0.061 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000821756022 606612776 /nfs/dbraw/zinc/61/27/76/606612776.db2.gz LSDKNIWAZQTITR-XWIASGKRSA-N -1 3 399.411 -0.061 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC000821756113 606457302 /nfs/dbraw/zinc/45/73/02/606457302.db2.gz MBCPNTGUMUMCNX-UHFFFAOYSA-N -1 3 399.411 -0.058 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC2(CNC(=O)C2)CC1 ZINC000821756113 606457301 /nfs/dbraw/zinc/45/73/01/606457301.db2.gz MBCPNTGUMUMCNX-UHFFFAOYSA-N -1 3 399.411 -0.058 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000821756243 606966847 /nfs/dbraw/zinc/96/68/47/606966847.db2.gz MLYINIKGAVJZSJ-JTQLQIEISA-N -1 3 387.356 -0.523 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN2C(=O)OC[C@@H]2C1 ZINC000821756243 606966845 /nfs/dbraw/zinc/96/68/45/606966845.db2.gz MLYINIKGAVJZSJ-JTQLQIEISA-N -1 3 387.356 -0.523 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000821756244 606966879 /nfs/dbraw/zinc/96/68/79/606966879.db2.gz MLYINIKGAVJZSJ-SNVBAGLBSA-N -1 3 387.356 -0.523 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC000821756244 606966878 /nfs/dbraw/zinc/96/68/78/606966878.db2.gz MLYINIKGAVJZSJ-SNVBAGLBSA-N -1 3 387.356 -0.523 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCCS(=O)(=O)CC1 ZINC000821756420 606816242 /nfs/dbraw/zinc/81/62/42/606816242.db2.gz OONAIEJNKGLFOZ-UHFFFAOYSA-N -1 3 394.413 -0.539 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCCS(=O)(=O)CC1 ZINC000821756420 606816240 /nfs/dbraw/zinc/81/62/40/606816240.db2.gz OONAIEJNKGLFOZ-UHFFFAOYSA-N -1 3 394.413 -0.539 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1ccc(C(N)=O)nc1 ZINC000821756606 606635993 /nfs/dbraw/zinc/63/59/93/606635993.db2.gz PYXQOPPVWJNILH-UHFFFAOYSA-N -1 3 396.367 -0.376 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC1CCC(C(N)=O)CC1 ZINC000821756759 606609769 /nfs/dbraw/zinc/60/97/69/606609769.db2.gz RMBRZWQEYQDGGT-UHFFFAOYSA-N -1 3 387.400 -0.026 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC1CCC(C(N)=O)CC1 ZINC000821756759 606609767 /nfs/dbraw/zinc/60/97/67/606609767.db2.gz RMBRZWQEYQDGGT-UHFFFAOYSA-N -1 3 387.400 -0.026 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000821756768 607094829 /nfs/dbraw/zinc/09/48/29/607094829.db2.gz RRXMHMLCPVWQBO-JTQLQIEISA-N -1 3 394.413 -0.493 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000821756768 607094827 /nfs/dbraw/zinc/09/48/27/607094827.db2.gz RRXMHMLCPVWQBO-JTQLQIEISA-N -1 3 394.413 -0.493 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000821756769 607095111 /nfs/dbraw/zinc/09/51/11/607095111.db2.gz RRXMHMLCPVWQBO-SNVBAGLBSA-N -1 3 394.413 -0.493 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H]1CCCS1(=O)=O ZINC000821756769 607095110 /nfs/dbraw/zinc/09/51/10/607095110.db2.gz RRXMHMLCPVWQBO-SNVBAGLBSA-N -1 3 394.413 -0.493 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000821756781 606611418 /nfs/dbraw/zinc/61/14/18/606611418.db2.gz RXFMGYVKTZNXAW-JTQLQIEISA-N -1 3 394.413 -0.493 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000821756781 606611416 /nfs/dbraw/zinc/61/14/16/606611416.db2.gz RXFMGYVKTZNXAW-JTQLQIEISA-N -1 3 394.413 -0.493 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000821756783 606611555 /nfs/dbraw/zinc/61/15/55/606611555.db2.gz RXFMGYVKTZNXAW-SNVBAGLBSA-N -1 3 394.413 -0.493 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCCS(=O)(=O)C1 ZINC000821756783 606611553 /nfs/dbraw/zinc/61/15/53/606611553.db2.gz RXFMGYVKTZNXAW-SNVBAGLBSA-N -1 3 394.413 -0.493 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000821756999 607087928 /nfs/dbraw/zinc/08/79/28/607087928.db2.gz SXDWKRJCJMDTBK-UHFFFAOYSA-N -1 3 395.445 -0.609 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)CN1CCN(S(C)(=O)=O)CC1 ZINC000821756999 607087927 /nfs/dbraw/zinc/08/79/27/607087927.db2.gz SXDWKRJCJMDTBK-UHFFFAOYSA-N -1 3 395.445 -0.609 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1nnnn1C1CC1 ZINC000821757050 599616367 /nfs/dbraw/zinc/61/63/67/599616367.db2.gz UHTMHHFAIYPTFD-UHFFFAOYSA-N -1 3 384.360 -0.548 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1nnnn1C1CC1 ZINC000821757050 599616365 /nfs/dbraw/zinc/61/63/65/599616365.db2.gz UHTMHHFAIYPTFD-UHFFFAOYSA-N -1 3 384.360 -0.548 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000821757100 606722127 /nfs/dbraw/zinc/72/21/27/606722127.db2.gz VAQFPEOQCGNCOK-UHFFFAOYSA-N -1 3 392.401 -0.474 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000821757459 606386214 /nfs/dbraw/zinc/38/62/14/606386214.db2.gz XIYRVICUUCCQEQ-UHFFFAOYSA-N -1 3 396.429 -0.247 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC(C)(C)S(C)(=O)=O ZINC000821757459 606386212 /nfs/dbraw/zinc/38/62/12/606386212.db2.gz XIYRVICUUCCQEQ-UHFFFAOYSA-N -1 3 396.429 -0.247 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000821757482 606611363 /nfs/dbraw/zinc/61/13/63/606611363.db2.gz XZKUVMNWVMHORL-JTQLQIEISA-N -1 3 385.384 -0.307 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000821757482 606611361 /nfs/dbraw/zinc/61/13/61/606611361.db2.gz XZKUVMNWVMHORL-JTQLQIEISA-N -1 3 385.384 -0.307 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000821757484 606611386 /nfs/dbraw/zinc/61/13/86/606611386.db2.gz XZKUVMNWVMHORL-SNVBAGLBSA-N -1 3 385.384 -0.307 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000821757484 606611384 /nfs/dbraw/zinc/61/13/84/606611384.db2.gz XZKUVMNWVMHORL-SNVBAGLBSA-N -1 3 385.384 -0.307 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000821757590 606609731 /nfs/dbraw/zinc/60/97/31/606609731.db2.gz YXISIKFIFDOSCB-LLVKDONJSA-N -1 3 387.400 -0.061 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000821757590 606609729 /nfs/dbraw/zinc/60/97/29/606609729.db2.gz YXISIKFIFDOSCB-LLVKDONJSA-N -1 3 387.400 -0.061 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000821757592 606609962 /nfs/dbraw/zinc/60/99/62/606609962.db2.gz YXISIKFIFDOSCB-NSHDSACASA-N -1 3 387.400 -0.061 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000821757592 606609961 /nfs/dbraw/zinc/60/99/61/606609961.db2.gz YXISIKFIFDOSCB-NSHDSACASA-N -1 3 387.400 -0.061 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000821757784 606609973 /nfs/dbraw/zinc/60/99/73/606609973.db2.gz ZLJUSBDNUDMKLC-JTQLQIEISA-N -1 3 383.372 -0.464 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000821757784 606609972 /nfs/dbraw/zinc/60/99/72/606609972.db2.gz ZLJUSBDNUDMKLC-JTQLQIEISA-N -1 3 383.372 -0.464 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000821757785 606609666 /nfs/dbraw/zinc/60/96/66/606609666.db2.gz ZLJUSBDNUDMKLC-SNVBAGLBSA-N -1 3 383.372 -0.464 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000821757785 606609664 /nfs/dbraw/zinc/60/96/64/606609664.db2.gz ZLJUSBDNUDMKLC-SNVBAGLBSA-N -1 3 383.372 -0.464 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NCC(=O)NCCCN(C)S(C)(=O)=O ZINC000821766383 606829051 /nfs/dbraw/zinc/82/90/51/606829051.db2.gz VFMRHKFOAJGACS-UHFFFAOYSA-N -1 3 397.461 -0.315 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NCC(=O)NCCCN(C)S(C)(=O)=O ZINC000821766383 606829049 /nfs/dbraw/zinc/82/90/49/606829049.db2.gz VFMRHKFOAJGACS-UHFFFAOYSA-N -1 3 397.461 -0.315 20 0 GBADHM CS(=O)(=O)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821919425 606753823 /nfs/dbraw/zinc/75/38/23/606753823.db2.gz BGCVJIPWMDLLMX-UHFFFAOYSA-N -1 3 378.458 -0.008 20 0 GBADHM CS(=O)(=O)C1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821919425 606753822 /nfs/dbraw/zinc/75/38/22/606753822.db2.gz BGCVJIPWMDLLMX-UHFFFAOYSA-N -1 3 378.458 -0.008 20 0 GBADHM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821919516 606966548 /nfs/dbraw/zinc/96/65/48/606966548.db2.gz BYWBOQCQRVVHFO-LLVKDONJSA-N -1 3 389.484 -0.025 20 0 GBADHM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821919516 606966546 /nfs/dbraw/zinc/96/65/46/606966546.db2.gz BYWBOQCQRVVHFO-LLVKDONJSA-N -1 3 389.484 -0.025 20 0 GBADHM CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821919519 606966704 /nfs/dbraw/zinc/96/67/04/606966704.db2.gz BYWBOQCQRVVHFO-NSHDSACASA-N -1 3 389.484 -0.025 20 0 GBADHM CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821919519 606966702 /nfs/dbraw/zinc/96/67/02/606966702.db2.gz BYWBOQCQRVVHFO-NSHDSACASA-N -1 3 389.484 -0.025 20 0 GBADHM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821919791 606966494 /nfs/dbraw/zinc/96/64/94/606966494.db2.gz DZLZETJIWPUZTA-LLVKDONJSA-N -1 3 389.484 -0.025 20 0 GBADHM CS(=O)(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821919791 606966492 /nfs/dbraw/zinc/96/64/92/606966492.db2.gz DZLZETJIWPUZTA-LLVKDONJSA-N -1 3 389.484 -0.025 20 0 GBADHM CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821919792 606966609 /nfs/dbraw/zinc/96/66/09/606966609.db2.gz DZLZETJIWPUZTA-NSHDSACASA-N -1 3 389.484 -0.025 20 0 GBADHM CS(=O)(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821919792 606966608 /nfs/dbraw/zinc/96/66/08/606966608.db2.gz DZLZETJIWPUZTA-NSHDSACASA-N -1 3 389.484 -0.025 20 0 GBADHM CS(=O)(=O)CC1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821919838 606458282 /nfs/dbraw/zinc/45/82/82/606458282.db2.gz GJDZDBVMQOSOQF-UHFFFAOYSA-N -1 3 378.414 -0.254 20 0 GBADHM CS(=O)(=O)CC1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821919838 606458279 /nfs/dbraw/zinc/45/82/79/606458279.db2.gz GJDZDBVMQOSOQF-UHFFFAOYSA-N -1 3 378.414 -0.254 20 0 GBADHM COc1ncc(NC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C(N)=O ZINC000821919863 606802868 /nfs/dbraw/zinc/80/28/68/606802868.db2.gz HWWOUFBOOFRHBD-UHFFFAOYSA-N -1 3 396.367 -0.262 20 0 GBADHM COc1ncc(NC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C(N)=O ZINC000821919863 606802867 /nfs/dbraw/zinc/80/28/67/606802867.db2.gz HWWOUFBOOFRHBD-UHFFFAOYSA-N -1 3 396.367 -0.262 20 0 GBADHM COc1ncc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1C(N)=O ZINC000821920035 606814359 /nfs/dbraw/zinc/81/43/59/606814359.db2.gz KRGMDXPRWKDQIG-UHFFFAOYSA-N -1 3 396.367 -0.376 20 0 GBADHM COc1ncc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1C(N)=O ZINC000821920035 606814357 /nfs/dbraw/zinc/81/43/57/606814357.db2.gz KRGMDXPRWKDQIG-UHFFFAOYSA-N -1 3 396.367 -0.376 20 0 GBADHM COc1ncc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1C(N)=O ZINC000821920280 606814216 /nfs/dbraw/zinc/81/42/16/606814216.db2.gz PBVWKQPVVKACNF-UHFFFAOYSA-N -1 3 396.367 -0.376 20 0 GBADHM COc1ncc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1C(N)=O ZINC000821920280 606814214 /nfs/dbraw/zinc/81/42/14/606814214.db2.gz PBVWKQPVVKACNF-UHFFFAOYSA-N -1 3 396.367 -0.376 20 0 GBADHM COc1ncc(NC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1C(N)=O ZINC000821920414 606807678 /nfs/dbraw/zinc/80/76/78/606807678.db2.gz RBUCXQMDDJHRHA-UHFFFAOYSA-N -1 3 398.387 -0.002 20 0 GBADHM COc1ncc(NC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1C(N)=O ZINC000821920414 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ZINC000821943511 606082328 /nfs/dbraw/zinc/08/23/28/606082328.db2.gz VMGIQZSDVGEHDT-RMKBEBRYSA-N -1 3 377.474 -0.611 20 0 GBADHM C[S@@](=O)CCN1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821943511 606082324 /nfs/dbraw/zinc/08/23/24/606082324.db2.gz VMGIQZSDVGEHDT-RMKBEBRYSA-N -1 3 377.474 -0.611 20 0 GBADHM C[S@](=O)CCN1CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821943512 606083040 /nfs/dbraw/zinc/08/30/40/606083040.db2.gz VMGIQZSDVGEHDT-RXBISOJRSA-N -1 3 377.474 -0.611 20 0 GBADHM C[S@](=O)CCN1CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821943512 606083037 /nfs/dbraw/zinc/08/30/37/606083037.db2.gz VMGIQZSDVGEHDT-RXBISOJRSA-N -1 3 377.474 -0.611 20 0 GBADHM C[S@@](=O)CCN1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821943562 606083663 /nfs/dbraw/zinc/08/36/63/606083663.db2.gz WPHQXLVWLNUNRR-KUNJGFBQSA-N -1 3 394.501 -0.398 20 0 GBADHM C[S@](=O)CCN1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821943563 606083605 /nfs/dbraw/zinc/08/36/05/606083605.db2.gz WPHQXLVWLNUNRR-QZXCRCNTSA-N -1 3 394.501 -0.398 20 0 GBADHM C[S@](=O)CCN1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821943565 606082296 /nfs/dbraw/zinc/08/22/96/606082296.db2.gz WPHQXLVWLNUNRR-RXAIFQJESA-N -1 3 394.501 -0.398 20 0 GBADHM C[S@@](=O)CCN1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821943568 606082990 /nfs/dbraw/zinc/08/29/90/606082990.db2.gz WPHQXLVWLNUNRR-YVORESIASA-N -1 3 394.501 -0.398 20 0 GBADHM C[S@](=O)CCN1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821943586 606642348 /nfs/dbraw/zinc/64/23/48/606642348.db2.gz WYBSYOTXKQSRBW-DEOSSOPVSA-N -1 3 384.487 -0.449 20 0 GBADHM C[S@](=O)CCN1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821943586 606642347 /nfs/dbraw/zinc/64/23/47/606642347.db2.gz WYBSYOTXKQSRBW-DEOSSOPVSA-N -1 3 384.487 -0.449 20 0 GBADHM C[S@@](=O)CCN1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821943587 606642124 /nfs/dbraw/zinc/64/21/24/606642124.db2.gz WYBSYOTXKQSRBW-XMMPIXPASA-N -1 3 384.487 -0.449 20 0 GBADHM C[S@@](=O)CCN1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821943587 606642123 /nfs/dbraw/zinc/64/21/23/606642123.db2.gz WYBSYOTXKQSRBW-XMMPIXPASA-N -1 3 384.487 -0.449 20 0 GBADHM CSCCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821970445 606605852 /nfs/dbraw/zinc/60/58/52/606605852.db2.gz OACHLWVNGUFJOL-UHFFFAOYSA-N -1 3 387.429 -0.076 20 0 GBADHM CSCCNC(=O)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821970445 606605851 /nfs/dbraw/zinc/60/58/51/606605851.db2.gz OACHLWVNGUFJOL-UHFFFAOYSA-N -1 3 387.429 -0.076 20 0 GBADHM C[C@@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F)C(=O)N(C)C ZINC000821994737 606458629 /nfs/dbraw/zinc/45/86/29/606458629.db2.gz IYGRDZUVLUFXDA-SSDOTTSWSA-N -1 3 397.342 -0.001 20 0 GBADHM C[C@@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F)C(=O)N(C)C ZINC000821994737 606458627 /nfs/dbraw/zinc/45/86/27/606458627.db2.gz IYGRDZUVLUFXDA-SSDOTTSWSA-N -1 3 397.342 -0.001 20 0 GBADHM C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821995033 607363030 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ZINC000822043477 607278336 /nfs/dbraw/zinc/27/83/36/607278336.db2.gz FJMLGSHOGRIGTM-UHFFFAOYSA-N -1 3 394.395 -0.208 20 0 GBADHM Cc1c(NC(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)cccc1-c1nnn[n-]1 ZINC000822043477 607278335 /nfs/dbraw/zinc/27/83/35/607278335.db2.gz FJMLGSHOGRIGTM-UHFFFAOYSA-N -1 3 394.395 -0.208 20 0 GBADHM Cc1c(NC(=O)C(=O)N2CCO[C@@H](Cn3cncn3)C2)cccc1-c1nn[n-]n1 ZINC000822044240 607276792 /nfs/dbraw/zinc/27/67/92/607276792.db2.gz JNTBVKMEGKENRT-GFCCVEGCSA-N -1 3 397.399 -0.367 20 0 GBADHM Cc1c(NC(=O)C(=O)N2CCO[C@@H](Cn3cncn3)C2)cccc1-c1nnn[n-]1 ZINC000822044240 607276791 /nfs/dbraw/zinc/27/67/91/607276791.db2.gz JNTBVKMEGKENRT-GFCCVEGCSA-N -1 3 397.399 -0.367 20 0 GBADHM Cc1c(NC(=O)C(=O)N2CCO[C@H](Cn3cncn3)C2)cccc1-c1nn[n-]n1 ZINC000822044241 607276735 /nfs/dbraw/zinc/27/67/35/607276735.db2.gz JNTBVKMEGKENRT-LBPRGKRZSA-N -1 3 397.399 -0.367 20 0 GBADHM Cc1c(NC(=O)C(=O)N2CCO[C@H](Cn3cncn3)C2)cccc1-c1nnn[n-]1 ZINC000822044241 607276734 /nfs/dbraw/zinc/27/67/34/607276734.db2.gz 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GBADHM Cc1c(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)cccc1-c1nn[n-]n1 ZINC000822053282 607279941 /nfs/dbraw/zinc/27/99/41/607279941.db2.gz LOAWGODRBBMENT-JTQLQIEISA-N -1 3 378.414 -0.193 20 0 GBADHM Cc1c(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)cccc1-c1nnn[n-]1 ZINC000822053282 607279940 /nfs/dbraw/zinc/27/99/40/607279940.db2.gz LOAWGODRBBMENT-JTQLQIEISA-N -1 3 378.414 -0.193 20 0 GBADHM Cc1c(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)cccc1-c1nn[n-]n1 ZINC000822053283 607279650 /nfs/dbraw/zinc/27/96/50/607279650.db2.gz LOAWGODRBBMENT-SNVBAGLBSA-N -1 3 378.414 -0.193 20 0 GBADHM Cc1c(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)cccc1-c1nnn[n-]1 ZINC000822053283 607279649 /nfs/dbraw/zinc/27/96/49/607279649.db2.gz LOAWGODRBBMENT-SNVBAGLBSA-N -1 3 378.414 -0.193 20 0 GBADHM Cc1c(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)cccc1-c1nn[n-]n1 ZINC000822053344 607276208 /nfs/dbraw/zinc/27/62/08/607276208.db2.gz MMRCIWGTGCWANQ-UHFFFAOYSA-N -1 3 395.445 -0.442 20 0 GBADHM Cc1c(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000822053344 607276207 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GBADHM Cc1c(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822054283 607272628 /nfs/dbraw/zinc/27/26/28/607272628.db2.gz XCHMCFMAUFCVHY-UHFFFAOYSA-N -1 3 387.400 -0.521 20 0 GBADHM Cc1c(NC(=O)C(=O)NCCC(=O)N2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822054283 607272627 /nfs/dbraw/zinc/27/26/27/607272627.db2.gz XCHMCFMAUFCVHY-UHFFFAOYSA-N -1 3 387.400 -0.521 20 0 GBADHM Cc1c(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cccc1-c1nn[n-]n1 ZINC000822054397 607275487 /nfs/dbraw/zinc/27/54/87/607275487.db2.gz YNDPYOFPIQKHFM-UHFFFAOYSA-N -1 3 393.429 -0.735 20 0 GBADHM Cc1c(NC(=O)C(=O)NCCN2CCCS2(=O)=O)cccc1-c1nnn[n-]1 ZINC000822054397 607275486 /nfs/dbraw/zinc/27/54/86/607275486.db2.gz YNDPYOFPIQKHFM-UHFFFAOYSA-N -1 3 393.429 -0.735 20 0 GBADHM Cc1c(NC(=O)C(=O)NCc2ccc(C(N)=O)nc2)cccc1-c1nn[n-]n1 ZINC000822060739 607279590 /nfs/dbraw/zinc/27/95/90/607279590.db2.gz IPSIXRBPYIRAIS-UHFFFAOYSA-N -1 3 380.368 -0.076 20 0 GBADHM Cc1c(NC(=O)C(=O)NCc2ccc(C(N)=O)nc2)cccc1-c1nnn[n-]1 ZINC000822060739 607279589 /nfs/dbraw/zinc/27/95/89/607279589.db2.gz IPSIXRBPYIRAIS-UHFFFAOYSA-N -1 3 380.368 -0.076 20 0 GBADHM Cc1c(NC(=O)CNS(=O)(=O)c2cn(C)cn2)cccc1-c1nn[n-]n1 ZINC000822067346 607362095 /nfs/dbraw/zinc/36/20/95/607362095.db2.gz JEWZJPZEMHJFDJ-UHFFFAOYSA-N -1 3 376.402 -0.174 20 0 GBADHM Cc1c(NC(=O)CNS(=O)(=O)c2cnn(C)c2)cccc1-c1nn[n-]n1 ZINC000822067951 945960014 /nfs/dbraw/zinc/96/00/14/945960014.db2.gz LNEMPQHEUSTVCW-UHFFFAOYSA-N -1 3 376.402 -0.174 20 0 GBADHM Cc1c(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cccc1-c1nn[n-]n1 ZINC000822075857 607268997 /nfs/dbraw/zinc/26/89/97/607268997.db2.gz JZQBSBFXSWELFB-UHFFFAOYSA-N -1 3 395.383 -0.439 20 0 GBADHM Cc1c(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)cccc1-c1nnn[n-]1 ZINC000822075857 607268996 /nfs/dbraw/zinc/26/89/96/607268996.db2.gz JZQBSBFXSWELFB-UHFFFAOYSA-N -1 3 395.383 -0.439 20 0 GBADHM Cc1c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cccc1-c1nn[n-]n1 ZINC000822076690 607268121 /nfs/dbraw/zinc/26/81/21/607268121.db2.gz QRBLZCBJJOHEJB-UHFFFAOYSA-N -1 3 395.383 -0.439 20 0 GBADHM Cc1c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cccc1-c1nnn[n-]1 ZINC000822076690 607268120 /nfs/dbraw/zinc/26/81/20/607268120.db2.gz QRBLZCBJJOHEJB-UHFFFAOYSA-N -1 3 395.383 -0.439 20 0 GBADHM Cc1c(NC(=O)NCCS(=O)(=O)N2CCOCC2)cccc1-c1nn[n-]n1 ZINC000822096071 607284991 /nfs/dbraw/zinc/28/49/91/607284991.db2.gz JSKYCIWRBFHPTE-UHFFFAOYSA-N -1 3 395.445 -0.041 20 0 GBADHM Cc1c(NC(=O)NCCS(=O)(=O)N2CCOCC2)cccc1-c1nnn[n-]1 ZINC000822096071 607284990 /nfs/dbraw/zinc/28/49/90/607284990.db2.gz JSKYCIWRBFHPTE-UHFFFAOYSA-N -1 3 395.445 -0.041 20 0 GBADHM Cc1c(NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cccc1-c1nn[n-]n1 ZINC000822116551 607257538 /nfs/dbraw/zinc/25/75/38/607257538.db2.gz SZAWPINLKYIFTF-JTQLQIEISA-N -1 3 393.429 -0.400 20 0 GBADHM Cc1c(NCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cccc1-c1nnn[n-]1 ZINC000822116551 607257537 /nfs/dbraw/zinc/25/75/37/607257537.db2.gz SZAWPINLKYIFTF-JTQLQIEISA-N -1 3 393.429 -0.400 20 0 GBADHM Cc1c(NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cccc1-c1nn[n-]n1 ZINC000822116555 607257451 /nfs/dbraw/zinc/25/74/51/607257451.db2.gz SZAWPINLKYIFTF-SNVBAGLBSA-N -1 3 393.429 -0.400 20 0 GBADHM Cc1c(NCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cccc1-c1nnn[n-]1 ZINC000822116555 607257450 /nfs/dbraw/zinc/25/74/50/607257450.db2.gz SZAWPINLKYIFTF-SNVBAGLBSA-N -1 3 393.429 -0.400 20 0 GBADHM Cc1c(NCC(=O)NCCCN(C)S(C)(=O)=O)cccc1-c1nn[n-]n1 ZINC000822123016 607256936 /nfs/dbraw/zinc/25/69/36/607256936.db2.gz SNUNMGZBHCNVFG-UHFFFAOYSA-N -1 3 381.462 -0.015 20 0 GBADHM Cc1c(NCC(=O)NCCCN(C)S(C)(=O)=O)cccc1-c1nnn[n-]1 ZINC000822123016 607256935 /nfs/dbraw/zinc/25/69/35/607256935.db2.gz SNUNMGZBHCNVFG-UHFFFAOYSA-N -1 3 381.462 -0.015 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCCCN(C)S(C)(=O)=O ZINC000822136239 606825322 /nfs/dbraw/zinc/82/53/22/606825322.db2.gz JXPUPIYYOSBHRC-UHFFFAOYSA-N -1 3 382.446 -0.048 20 0 GBADHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000822136991 599360086 /nfs/dbraw/zinc/36/00/86/599360086.db2.gz SLZBKLSQWWJBQF-UHFFFAOYSA-N -1 3 392.397 -0.351 20 0 GBADHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000822136991 599360085 /nfs/dbraw/zinc/36/00/85/599360085.db2.gz SLZBKLSQWWJBQF-UHFFFAOYSA-N -1 3 392.397 -0.351 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000822143330 606255067 /nfs/dbraw/zinc/25/50/67/606255067.db2.gz BHIOSUQPXGFOEL-UHFFFAOYSA-N -1 3 380.430 -0.347 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000822143330 606255065 /nfs/dbraw/zinc/25/50/65/606255065.db2.gz BHIOSUQPXGFOEL-UHFFFAOYSA-N -1 3 380.430 -0.347 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000822143874 607125328 /nfs/dbraw/zinc/12/53/28/607125328.db2.gz HSPWSPLCALTRFY-UHFFFAOYSA-N -1 3 393.473 -0.430 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000822143874 607125327 /nfs/dbraw/zinc/12/53/27/607125327.db2.gz HSPWSPLCALTRFY-UHFFFAOYSA-N -1 3 393.473 -0.430 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000822146178 606202511 /nfs/dbraw/zinc/20/25/11/606202511.db2.gz VJRSMQIDNIDQBJ-UHFFFAOYSA-N -1 3 393.473 -0.255 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000822146178 606202509 /nfs/dbraw/zinc/20/25/09/606202509.db2.gz VJRSMQIDNIDQBJ-UHFFFAOYSA-N -1 3 393.473 -0.255 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000822146268 606642202 /nfs/dbraw/zinc/64/22/02/606642202.db2.gz XFEZPBDFKAORTN-RUZDIDTESA-N -1 3 398.514 -0.140 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000822146268 606642201 /nfs/dbraw/zinc/64/22/01/606642201.db2.gz XFEZPBDFKAORTN-RUZDIDTESA-N -1 3 398.514 -0.140 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000822146277 606642373 /nfs/dbraw/zinc/64/23/73/606642373.db2.gz XFEZPBDFKAORTN-VWLOTQADSA-N -1 3 398.514 -0.140 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCN(CC[S@](C)=O)CC1 ZINC000822146277 606642372 /nfs/dbraw/zinc/64/23/72/606642372.db2.gz XFEZPBDFKAORTN-VWLOTQADSA-N -1 3 398.514 -0.140 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000822152662 606472628 /nfs/dbraw/zinc/47/26/28/606472628.db2.gz IKCCZJSRXUPYJI-LLVKDONJSA-N -1 3 378.414 -0.011 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1CC(=O)N(C(C)C)C1=O ZINC000822152662 606472626 /nfs/dbraw/zinc/47/26/26/606472626.db2.gz IKCCZJSRXUPYJI-LLVKDONJSA-N -1 3 378.414 -0.011 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000822152664 606472709 /nfs/dbraw/zinc/47/27/09/606472709.db2.gz IKCCZJSRXUPYJI-NSHDSACASA-N -1 3 378.414 -0.011 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000822152664 606472707 /nfs/dbraw/zinc/47/27/07/606472707.db2.gz IKCCZJSRXUPYJI-NSHDSACASA-N -1 3 378.414 -0.011 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCOCCS(C)(=O)=O ZINC000822153559 599352283 /nfs/dbraw/zinc/35/22/83/599352283.db2.gz MZCXSUAFDLFPTF-UHFFFAOYSA-N -1 3 389.459 -0.485 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCOCCS(C)(=O)=O ZINC000822153559 599352280 /nfs/dbraw/zinc/35/22/80/599352280.db2.gz MZCXSUAFDLFPTF-UHFFFAOYSA-N -1 3 389.459 -0.485 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](O)CN1CCOCC1 ZINC000822153835 607314884 /nfs/dbraw/zinc/31/48/84/607314884.db2.gz PVAKRUPDOABTFD-CYBMUJFWSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](O)CN1CCOCC1 ZINC000822153835 607314883 /nfs/dbraw/zinc/31/48/83/607314883.db2.gz PVAKRUPDOABTFD-CYBMUJFWSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](O)CN1CCOCC1 ZINC000822153839 607314908 /nfs/dbraw/zinc/31/49/08/607314908.db2.gz PVAKRUPDOABTFD-ZDUSSCGKSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](O)CN1CCOCC1 ZINC000822153839 607314907 /nfs/dbraw/zinc/31/49/07/607314907.db2.gz PVAKRUPDOABTFD-ZDUSSCGKSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1cc(COC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nn1C ZINC000822200885 607155151 /nfs/dbraw/zinc/15/51/51/607155151.db2.gz HANNPUORTSTPKU-UHFFFAOYSA-N -1 3 391.413 -0.070 20 0 GBADHM Cc1cc(COC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nn1C ZINC000822200885 607155148 /nfs/dbraw/zinc/15/51/48/607155148.db2.gz HANNPUORTSTPKU-UHFFFAOYSA-N -1 3 391.413 -0.070 20 0 GBADHM Cc1cc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)nn1C ZINC000822201116 607155084 /nfs/dbraw/zinc/15/50/84/607155084.db2.gz RENZUXHMLWUDKC-UHFFFAOYSA-N -1 3 391.413 -0.070 20 0 GBADHM Cc1cc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)nn1C ZINC000822201116 607155082 /nfs/dbraw/zinc/15/50/82/607155082.db2.gz RENZUXHMLWUDKC-UHFFFAOYSA-N -1 3 391.413 -0.070 20 0 GBADHM Cc1cc(N2CC[C@H](N[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822206923 599385623 /nfs/dbraw/zinc/38/56/23/599385623.db2.gz DCGICQQCKRZHDH-DZGCQCFKSA-N -1 3 395.427 -0.170 20 0 GBADHM Cc1cc(N2CC[C@H](N[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822206923 599385620 /nfs/dbraw/zinc/38/56/20/599385620.db2.gz DCGICQQCKRZHDH-DZGCQCFKSA-N -1 3 395.427 -0.170 20 0 GBADHM Cc1cc(N2CC[C@@H](N[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822206924 599385255 /nfs/dbraw/zinc/38/52/55/599385255.db2.gz DCGICQQCKRZHDH-HIFRSBDPSA-N -1 3 395.427 -0.170 20 0 GBADHM Cc1cc(N2CC[C@@H](N[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822206924 599385253 /nfs/dbraw/zinc/38/52/53/599385253.db2.gz DCGICQQCKRZHDH-HIFRSBDPSA-N -1 3 395.427 -0.170 20 0 GBADHM Cc1cc(N2CC[C@@H](N[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822206925 599385819 /nfs/dbraw/zinc/38/58/19/599385819.db2.gz DCGICQQCKRZHDH-UKRRQHHQSA-N -1 3 395.427 -0.170 20 0 GBADHM Cc1cc(N2CC[C@@H](N[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822206925 599385816 /nfs/dbraw/zinc/38/58/16/599385816.db2.gz DCGICQQCKRZHDH-UKRRQHHQSA-N -1 3 395.427 -0.170 20 0 GBADHM Cc1cc(N2CC[C@H](N[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)n(C)n1 ZINC000822206926 599385222 /nfs/dbraw/zinc/38/52/22/599385222.db2.gz DCGICQQCKRZHDH-ZFWWWQNUSA-N -1 3 395.427 -0.170 20 0 GBADHM Cc1cc(N2CC[C@H](N[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)n(C)n1 ZINC000822206926 599385220 /nfs/dbraw/zinc/38/52/20/599385220.db2.gz DCGICQQCKRZHDH-ZFWWWQNUSA-N -1 3 395.427 -0.170 20 0 GBADHM Cc1cc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n2ncnc2n1 ZINC000822206955 606254358 /nfs/dbraw/zinc/25/43/58/606254358.db2.gz FQLYHRNZKYFMRY-UHFFFAOYSA-N -1 3 379.388 -0.097 20 0 GBADHM Cc1cc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n2ncnc2n1 ZINC000822206955 606254356 /nfs/dbraw/zinc/25/43/56/606254356.db2.gz FQLYHRNZKYFMRY-UHFFFAOYSA-N -1 3 379.388 -0.097 20 0 GBADHM Cc1cc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)n2ncnc2n1 ZINC000822206959 606278940 /nfs/dbraw/zinc/27/89/40/606278940.db2.gz FTIGTVCFXMFUCQ-UHFFFAOYSA-N -1 3 393.415 -0.086 20 0 GBADHM Cc1cc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)n2ncnc2n1 ZINC000822206959 606278938 /nfs/dbraw/zinc/27/89/38/606278938.db2.gz FTIGTVCFXMFUCQ-UHFFFAOYSA-N -1 3 393.415 -0.086 20 0 GBADHM Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)no1 ZINC000822206990 606249453 /nfs/dbraw/zinc/24/94/53/606249453.db2.gz HJKHHHWZPXIBQI-UHFFFAOYSA-N -1 3 385.388 -0.112 20 0 GBADHM Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)no1 ZINC000822206990 606249451 /nfs/dbraw/zinc/24/94/51/606249451.db2.gz HJKHHHWZPXIBQI-UHFFFAOYSA-N -1 3 385.388 -0.112 20 0 GBADHM Cc1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nn[n-]n2)c(=O)n(C)c1 ZINC000822207083 945993714 /nfs/dbraw/zinc/99/37/14/945993714.db2.gz KHCWZARVDJWCFP-UHFFFAOYSA-N -1 3 397.399 -0.564 20 0 GBADHM Cc1cc(NC(=O)C(=O)NCCNc2ncccc2-c2nnn[n-]2)c(=O)n(C)c1 ZINC000822207083 945993709 /nfs/dbraw/zinc/99/37/09/945993709.db2.gz KHCWZARVDJWCFP-UHFFFAOYSA-N -1 3 397.399 -0.564 20 0 GBADHM Cc1cc(NC(=O)C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c(=O)n(C)c1 ZINC000822207116 607083336 /nfs/dbraw/zinc/08/33/36/607083336.db2.gz LDZBJFYCOHVGGT-UHFFFAOYSA-N -1 3 397.399 -0.564 20 0 GBADHM Cc1cc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c(=O)n(C)c1 ZINC000822207116 607083334 /nfs/dbraw/zinc/08/33/34/607083334.db2.gz LDZBJFYCOHVGGT-UHFFFAOYSA-N -1 3 397.399 -0.564 20 0 GBADHM Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(-c4nn[n-]n4)cn3C)CC2)no1 ZINC000822207213 606277142 /nfs/dbraw/zinc/27/71/42/606277142.db2.gz OIZGBNARNWEKKZ-UHFFFAOYSA-N -1 3 399.415 -0.102 20 0 GBADHM Cc1cc(NC(=O)CN2CCN(C(=O)c3cc(-c4nnn[n-]4)cn3C)CC2)no1 ZINC000822207213 606277140 /nfs/dbraw/zinc/27/71/40/606277140.db2.gz OIZGBNARNWEKKZ-UHFFFAOYSA-N -1 3 399.415 -0.102 20 0 GBADHM Cc1cc(O)cc(=O)n1CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822210467 607121589 /nfs/dbraw/zinc/12/15/89/607121589.db2.gz CSBDVWYBWCDOGS-UHFFFAOYSA-N -1 3 396.411 -0.214 20 0 GBADHM Cc1cc(O)cc(=O)n1CC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822210467 607121588 /nfs/dbraw/zinc/12/15/88/607121588.db2.gz CSBDVWYBWCDOGS-UHFFFAOYSA-N -1 3 396.411 -0.214 20 0 GBADHM Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000822210528 607133282 /nfs/dbraw/zinc/13/32/82/607133282.db2.gz GBOZPRVLPWVTEC-UHFFFAOYSA-N -1 3 398.379 -0.098 20 0 GBADHM Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000822210528 607133280 /nfs/dbraw/zinc/13/32/80/607133280.db2.gz GBOZPRVLPWVTEC-UHFFFAOYSA-N -1 3 398.379 -0.098 20 0 GBADHM Cc1cc(O)cc(=O)n1CC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822210629 607132815 /nfs/dbraw/zinc/13/28/15/607132815.db2.gz LDPUWMYZXADKFY-HNNXBMFYSA-N -1 3 384.352 -0.188 20 0 GBADHM Cc1cc(O)cc(=O)n1CC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822210629 607132814 /nfs/dbraw/zinc/13/28/14/607132814.db2.gz LDPUWMYZXADKFY-HNNXBMFYSA-N -1 3 384.352 -0.188 20 0 GBADHM Cc1cc(O)cc(=O)n1CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822210630 607133121 /nfs/dbraw/zinc/13/31/21/607133121.db2.gz LDPUWMYZXADKFY-OAHLLOKOSA-N -1 3 384.352 -0.188 20 0 GBADHM Cc1cc(O)cc(=O)n1CC(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822210630 607133119 /nfs/dbraw/zinc/13/31/19/607133119.db2.gz LDPUWMYZXADKFY-OAHLLOKOSA-N -1 3 384.352 -0.188 20 0 GBADHM Cc1cc(O)cc(=O)n1CC(=O)OCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822210660 607133340 /nfs/dbraw/zinc/13/33/40/607133340.db2.gz 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Cc1ccc(-c2nn[n-]n2)c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1 ZINC000822215253 607226762 /nfs/dbraw/zinc/22/67/62/607226762.db2.gz SPQYOXQIMCQWLP-UHFFFAOYSA-N -1 3 386.416 -0.922 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1 ZINC000822215253 607226761 /nfs/dbraw/zinc/22/67/61/607226761.db2.gz SPQYOXQIMCQWLP-UHFFFAOYSA-N -1 3 386.416 -0.922 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1ccc(C(N)=O)nc1 ZINC000822215977 606635913 /nfs/dbraw/zinc/63/59/13/606635913.db2.gz AUEVEKANRIKKTF-UHFFFAOYSA-N -1 3 380.368 -0.076 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1ccc(C(N)=O)nc1 ZINC000822215977 606635912 /nfs/dbraw/zinc/63/59/12/606635912.db2.gz AUEVEKANRIKKTF-UHFFFAOYSA-N -1 3 380.368 -0.076 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000822216372 599693550 /nfs/dbraw/zinc/69/35/50/599693550.db2.gz NBFHZPMIKIFQRV-UHFFFAOYSA-N -1 3 394.395 -0.208 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCc2nn(C)c(=O)cc2C1 ZINC000822216372 599693549 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385.384 -0.234 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000822216665 606819033 /nfs/dbraw/zinc/81/90/33/606819033.db2.gz WCWLWPSAHDIPOC-LBPRGKRZSA-N -1 3 385.384 -0.234 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000822216665 606819031 /nfs/dbraw/zinc/81/90/31/606819031.db2.gz WCWLWPSAHDIPOC-LBPRGKRZSA-N -1 3 385.384 -0.234 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC000822217959 606721770 /nfs/dbraw/zinc/72/17/70/606721770.db2.gz SZTWATWWHUJDEB-UHFFFAOYSA-N -1 3 376.402 -0.174 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NCC(=O)NCCCN(C)S(C)(=O)=O ZINC000822220055 606827384 /nfs/dbraw/zinc/82/73/84/606827384.db2.gz BELDZWOWMPZBSA-UHFFFAOYSA-N -1 3 381.462 -0.015 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NCC(=O)NCCCN(C)S(C)(=O)=O ZINC000822220055 606827382 /nfs/dbraw/zinc/82/73/82/606827382.db2.gz BELDZWOWMPZBSA-UHFFFAOYSA-N -1 3 381.462 -0.015 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1OCC(=O)NCCCN(C)S(C)(=O)=O ZINC000822221488 607042374 /nfs/dbraw/zinc/04/23/74/607042374.db2.gz QLKBLRZYZORZCL-UHFFFAOYSA-N -1 3 382.446 -0.048 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1OCC(=O)NCCCN(C)S(C)(=O)=O ZINC000822221488 607042372 /nfs/dbraw/zinc/04/23/72/607042372.db2.gz QLKBLRZYZORZCL-UHFFFAOYSA-N -1 3 382.446 -0.048 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000822222478 607125336 /nfs/dbraw/zinc/12/53/36/607125336.db2.gz IVIXSHVSGKZGTQ-UHFFFAOYSA-N -1 3 393.473 -0.430 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000822222478 607125335 /nfs/dbraw/zinc/12/53/35/607125335.db2.gz IVIXSHVSGKZGTQ-UHFFFAOYSA-N -1 3 393.473 -0.430 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000822222509 607049480 /nfs/dbraw/zinc/04/94/80/607049480.db2.gz JQOPUQQSCBETJB-UHFFFAOYSA-N -1 3 378.370 -0.660 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000822222509 607049478 /nfs/dbraw/zinc/04/94/78/607049478.db2.gz JQOPUQQSCBETJB-UHFFFAOYSA-N -1 3 378.370 -0.660 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000822222540 606337288 /nfs/dbraw/zinc/33/72/88/606337288.db2.gz KWTMKYYWHDFMGB-UHFFFAOYSA-N -1 3 393.473 -0.255 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000822222540 606337287 /nfs/dbraw/zinc/33/72/87/606337287.db2.gz KWTMKYYWHDFMGB-UHFFFAOYSA-N -1 3 393.473 -0.255 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000822222766 606639726 /nfs/dbraw/zinc/63/97/26/606639726.db2.gz SIMHIAUOXLNNSG-UHFFFAOYSA-N -1 3 380.430 -0.347 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000822222766 606639725 /nfs/dbraw/zinc/63/97/25/606639725.db2.gz SIMHIAUOXLNNSG-UHFFFAOYSA-N -1 3 380.430 -0.347 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(CC[S@@](C)=O)CC1 ZINC000822222813 606642363 /nfs/dbraw/zinc/64/23/63/606642363.db2.gz UNBCPVYYXNEHMV-RUZDIDTESA-N -1 3 398.514 -0.140 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(CC[S@@](C)=O)CC1 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DEMOBJUBKNQQNM-NSHDSACASA-N -1 3 378.414 -0.011 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC000822223613 606337590 /nfs/dbraw/zinc/33/75/90/606337590.db2.gz DEMOBJUBKNQQNM-NSHDSACASA-N -1 3 378.414 -0.011 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@@H](O)CN1CCOCC1 ZINC000822223680 607315125 /nfs/dbraw/zinc/31/51/25/607315125.db2.gz GPAGOVQCHIKRSF-CYBMUJFWSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@@H](O)CN1CCOCC1 ZINC000822223680 607315124 /nfs/dbraw/zinc/31/51/24/607315124.db2.gz GPAGOVQCHIKRSF-CYBMUJFWSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NC[C@H](O)CN1CCOCC1 ZINC000822223681 607315292 /nfs/dbraw/zinc/31/52/92/607315292.db2.gz GPAGOVQCHIKRSF-ZDUSSCGKSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NC[C@H](O)CN1CCOCC1 ZINC000822223681 607315291 /nfs/dbraw/zinc/31/52/91/607315291.db2.gz GPAGOVQCHIKRSF-ZDUSSCGKSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCOCCS(C)(=O)=O ZINC000822223925 599352641 /nfs/dbraw/zinc/35/26/41/599352641.db2.gz PLDAMSAHAMKEPY-UHFFFAOYSA-N -1 3 389.459 -0.485 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCOCCS(C)(=O)=O ZINC000822223925 599352639 /nfs/dbraw/zinc/35/26/39/599352639.db2.gz PLDAMSAHAMKEPY-UHFFFAOYSA-N -1 3 389.459 -0.485 20 0 GBADHM Cc1ccc(-n2nc(CCCNC(=O)CC(N)=O)c(-c3nn[n-]n3)c2N)cc1 ZINC000822224903 599697594 /nfs/dbraw/zinc/69/75/94/599697594.db2.gz FMBVNYQOKJDQGK-UHFFFAOYSA-N -1 3 383.416 -0.133 20 0 GBADHM Cc1ccc(-n2nc(CCCNC(=O)CC(N)=O)c(-c3nnn[n-]3)c2N)cc1 ZINC000822224903 599697593 /nfs/dbraw/zinc/69/75/93/599697593.db2.gz FMBVNYQOKJDQGK-UHFFFAOYSA-N -1 3 383.416 -0.133 20 0 GBADHM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000822266545 607324247 /nfs/dbraw/zinc/32/42/47/607324247.db2.gz CIUNKOQDQRGXQH-VIFPVBQESA-N -1 3 376.402 -0.039 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000822308563 599607125 /nfs/dbraw/zinc/60/71/25/599607125.db2.gz HLQNCRXRBGDCBK-JTQLQIEISA-N -1 3 393.429 -0.736 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000822308563 599607124 /nfs/dbraw/zinc/60/71/24/599607124.db2.gz HLQNCRXRBGDCBK-JTQLQIEISA-N -1 3 393.429 -0.736 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000822308564 599606782 /nfs/dbraw/zinc/60/67/82/599606782.db2.gz HLQNCRXRBGDCBK-SNVBAGLBSA-N -1 3 393.429 -0.736 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000822308564 599606781 /nfs/dbraw/zinc/60/67/81/599606781.db2.gz HLQNCRXRBGDCBK-SNVBAGLBSA-N -1 3 393.429 -0.736 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000822309215 599599927 /nfs/dbraw/zinc/59/99/27/599599927.db2.gz QBGFRPJXEDJJCF-JTQLQIEISA-N -1 3 378.414 -0.241 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000822309215 599599925 /nfs/dbraw/zinc/59/99/25/599599925.db2.gz QBGFRPJXEDJJCF-JTQLQIEISA-N -1 3 378.414 -0.241 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000822309216 599599768 /nfs/dbraw/zinc/59/97/68/599599768.db2.gz QBGFRPJXEDJJCF-SNVBAGLBSA-N -1 3 378.414 -0.241 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000822309216 599599766 /nfs/dbraw/zinc/59/97/66/599599766.db2.gz QBGFRPJXEDJJCF-SNVBAGLBSA-N -1 3 378.414 -0.241 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cncn3)C2)c1-c1nn[n-]n1 ZINC000822312321 599607661 /nfs/dbraw/zinc/60/76/61/599607661.db2.gz DKHFRWLEAVJTPW-GFCCVEGCSA-N -1 3 397.399 -0.367 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@@H](Cn3cncn3)C2)c1-c1nnn[n-]1 ZINC000822312321 599607659 /nfs/dbraw/zinc/60/76/59/599607659.db2.gz DKHFRWLEAVJTPW-GFCCVEGCSA-N -1 3 397.399 -0.367 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3cncn3)C2)c1-c1nn[n-]n1 ZINC000822312322 599607592 /nfs/dbraw/zinc/60/75/92/599607592.db2.gz DKHFRWLEAVJTPW-LBPRGKRZSA-N -1 3 397.399 -0.367 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCO[C@H](Cn3cncn3)C2)c1-c1nnn[n-]1 ZINC000822312322 599607590 /nfs/dbraw/zinc/60/75/90/599607590.db2.gz DKHFRWLEAVJTPW-LBPRGKRZSA-N -1 3 397.399 -0.367 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)c1-c1nn[n-]n1 ZINC000822312867 599693647 /nfs/dbraw/zinc/69/36/47/599693647.db2.gz JGYIWNTURRIJJZ-UHFFFAOYSA-N -1 3 394.395 -0.208 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)c1-c1nnn[n-]1 ZINC000822312867 599693646 /nfs/dbraw/zinc/69/36/46/599693646.db2.gz JGYIWNTURRIJJZ-UHFFFAOYSA-N -1 3 394.395 -0.208 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1nn[n-]n1 ZINC000822312952 599599737 /nfs/dbraw/zinc/59/97/37/599599737.db2.gz KBSHUOWBEBEKGG-UHFFFAOYSA-N -1 3 393.429 -0.783 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1nnn[n-]1 ZINC000822312952 599599735 /nfs/dbraw/zinc/59/97/35/599599735.db2.gz KBSHUOWBEBEKGG-UHFFFAOYSA-N -1 3 393.429 -0.783 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000822313202 606612060 /nfs/dbraw/zinc/61/20/60/606612060.db2.gz KZDPNKXMISBTHP-JTQLQIEISA-N -1 3 378.414 -0.193 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CCCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000822313202 606612057 /nfs/dbraw/zinc/61/20/57/606612057.db2.gz KZDPNKXMISBTHP-JTQLQIEISA-N -1 3 378.414 -0.193 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000822313205 606612340 /nfs/dbraw/zinc/61/23/40/606612340.db2.gz KZDPNKXMISBTHP-SNVBAGLBSA-N -1 3 378.414 -0.193 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000822313205 606612339 /nfs/dbraw/zinc/61/23/39/606612339.db2.gz KZDPNKXMISBTHP-SNVBAGLBSA-N -1 3 378.414 -0.193 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)c1-c1nn[n-]n1 ZINC000822313298 599600022 /nfs/dbraw/zinc/60/00/22/599600022.db2.gz LPZJECZHNIRFOE-UHFFFAOYSA-N -1 3 385.306 -0.092 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)c1-c1nnn[n-]1 ZINC000822313298 599600020 /nfs/dbraw/zinc/60/00/20/599600020.db2.gz LPZJECZHNIRFOE-UHFFFAOYSA-N -1 3 385.306 -0.092 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000822314407 599609098 /nfs/dbraw/zinc/60/90/98/599609098.db2.gz SQAXWAWDUHXTRK-JTQLQIEISA-N -1 3 378.414 -0.241 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC000822314407 599609096 /nfs/dbraw/zinc/60/90/96/599609096.db2.gz SQAXWAWDUHXTRK-JTQLQIEISA-N -1 3 378.414 -0.241 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C)C2)c1-c1nn[n-]n1 ZINC000822314410 599609212 /nfs/dbraw/zinc/60/92/12/599609212.db2.gz SQAXWAWDUHXTRK-SNVBAGLBSA-N -1 3 378.414 -0.241 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCS(=O)(=O)[C@H](C)C2)c1-c1nnn[n-]1 ZINC000822314410 599609210 /nfs/dbraw/zinc/60/92/10/599609210.db2.gz SQAXWAWDUHXTRK-SNVBAGLBSA-N -1 3 378.414 -0.241 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822314536 599605925 /nfs/dbraw/zinc/60/59/25/599605925.db2.gz UYSMRBMPRXECQG-UHFFFAOYSA-N -1 3 395.445 -0.442 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822314536 599605923 /nfs/dbraw/zinc/60/59/23/599605923.db2.gz UYSMRBMPRXECQG-UHFFFAOYSA-N -1 3 395.445 -0.442 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)c1-c1nn[n-]n1 ZINC000822315059 599601657 /nfs/dbraw/zinc/60/16/57/599601657.db2.gz YPIWJWRYLHTWIF-UHFFFAOYSA-N -1 3 386.416 -0.061 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)N(C)C)CC2)c1-c1nnn[n-]1 ZINC000822315059 599601656 /nfs/dbraw/zinc/60/16/56/599601656.db2.gz YPIWJWRYLHTWIF-UHFFFAOYSA-N -1 3 386.416 -0.061 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)c1-c1nn[n-]n1 ZINC000822315129 606816320 /nfs/dbraw/zinc/81/63/20/606816320.db2.gz ZRKWIMYXDDAJKC-UHFFFAOYSA-N -1 3 378.414 -0.239 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCCS(=O)(=O)CC2)c1-c1nnn[n-]1 ZINC000822315129 606816318 /nfs/dbraw/zinc/81/63/18/606816318.db2.gz ZRKWIMYXDDAJKC-UHFFFAOYSA-N -1 3 378.414 -0.239 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c1-c1nn[n-]n1 ZINC000822318933 599606355 /nfs/dbraw/zinc/60/63/55/599606355.db2.gz CGHOPBVDMKHYQK-UHFFFAOYSA-N -1 3 386.372 -0.828 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCCN2C(=O)CNC2=O)c1-c1nnn[n-]1 ZINC000822318933 599606353 /nfs/dbraw/zinc/60/63/53/599606353.db2.gz CGHOPBVDMKHYQK-UHFFFAOYSA-N -1 3 386.372 -0.828 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCc2ccc(C(N)=O)nc2)c1-c1nn[n-]n1 ZINC000822319004 606636150 /nfs/dbraw/zinc/63/61/50/606636150.db2.gz FRNFVECNADBQCP-UHFFFAOYSA-N -1 3 380.368 -0.076 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCc2ccc(C(N)=O)nc2)c1-c1nnn[n-]1 ZINC000822319004 606636149 /nfs/dbraw/zinc/63/61/49/606636149.db2.gz FRNFVECNADBQCP-UHFFFAOYSA-N -1 3 380.368 -0.076 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1-c1nn[n-]n1 ZINC000822319018 599603199 /nfs/dbraw/zinc/60/31/99/599603199.db2.gz GGDMEUYTDVLUAY-UHFFFAOYSA-N -1 3 393.429 -0.735 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCN2CCCS2(=O)=O)c1-c1nnn[n-]1 ZINC000822319018 599603197 /nfs/dbraw/zinc/60/31/97/599603197.db2.gz GGDMEUYTDVLUAY-UHFFFAOYSA-N -1 3 393.429 -0.735 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)C)c1-c1nn[n-]n1 ZINC000822319057 599603600 /nfs/dbraw/zinc/60/36/00/599603600.db2.gz HYUYNUOYNPFTAD-UHFFFAOYSA-N -1 3 395.445 -0.442 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCS(=O)(=O)NC(C)C)c1-c1nnn[n-]1 ZINC000822319057 599603599 /nfs/dbraw/zinc/60/35/99/599603599.db2.gz HYUYNUOYNPFTAD-UHFFFAOYSA-N -1 3 395.445 -0.442 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822319078 599598493 /nfs/dbraw/zinc/59/84/93/599598493.db2.gz IIGGHJAGSMEYEZ-UHFFFAOYSA-N -1 3 381.418 -0.831 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822319078 599598492 /nfs/dbraw/zinc/59/84/92/599598492.db2.gz IIGGHJAGSMEYEZ-UHFFFAOYSA-N -1 3 381.418 -0.831 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)c1-c1nn[n-]n1 ZINC000822319153 599607708 /nfs/dbraw/zinc/60/77/08/599607708.db2.gz KTPBHALDMSCRFN-UHFFFAOYSA-N -1 3 385.384 -0.231 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCCN2C(=O)CCC2=O)c1-c1nnn[n-]1 ZINC000822319153 599607707 /nfs/dbraw/zinc/60/77/07/599607707.db2.gz KTPBHALDMSCRFN-UHFFFAOYSA-N -1 3 385.384 -0.231 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCOCCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822319205 599610510 /nfs/dbraw/zinc/61/05/10/599610510.db2.gz MSXGBAFIRUDKCZ-UHFFFAOYSA-N -1 3 396.429 -0.709 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCOCCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822319205 599610508 /nfs/dbraw/zinc/61/05/08/599610508.db2.gz MSXGBAFIRUDKCZ-UHFFFAOYSA-N -1 3 396.429 -0.709 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000822319426 599600723 /nfs/dbraw/zinc/60/07/23/599600723.db2.gz RJNCOCUWRMUKAI-UHFFFAOYSA-N -1 3 395.445 -0.489 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000822319426 599600721 /nfs/dbraw/zinc/60/07/21/599600721.db2.gz RJNCOCUWRMUKAI-UHFFFAOYSA-N -1 3 395.445 -0.489 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)c1-c1nn[n-]n1 ZINC000822319644 599598623 /nfs/dbraw/zinc/59/86/23/599598623.db2.gz VWCIAVKRNYMOAT-UHFFFAOYSA-N -1 3 387.400 -0.521 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCC(=O)N2CCOCC2)c1-c1nnn[n-]1 ZINC000822319644 599598621 /nfs/dbraw/zinc/59/86/21/599598621.db2.gz VWCIAVKRNYMOAT-UHFFFAOYSA-N -1 3 387.400 -0.521 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)c1-c1nn[n-]n1 ZINC000822319647 607095621 /nfs/dbraw/zinc/09/56/21/607095621.db2.gz VYIHJZBTOAEUJO-JTQLQIEISA-N -1 3 378.414 -0.193 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCS2(=O)=O)c1-c1nnn[n-]1 ZINC000822319647 607095619 /nfs/dbraw/zinc/09/56/19/607095619.db2.gz VYIHJZBTOAEUJO-JTQLQIEISA-N -1 3 378.414 -0.193 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)c1-c1nn[n-]n1 ZINC000822319649 607095820 /nfs/dbraw/zinc/09/58/20/607095820.db2.gz VYIHJZBTOAEUJO-SNVBAGLBSA-N -1 3 378.414 -0.193 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCS2(=O)=O)c1-c1nnn[n-]1 ZINC000822319649 607095818 /nfs/dbraw/zinc/09/58/18/607095818.db2.gz VYIHJZBTOAEUJO-SNVBAGLBSA-N -1 3 378.414 -0.193 20 0 GBADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000822335741 607174120 /nfs/dbraw/zinc/17/41/20/607174120.db2.gz LIJBNLBYIBYPKW-LLVKDONJSA-N -1 3 378.396 -0.130 20 0 GBADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000822335741 607174119 /nfs/dbraw/zinc/17/41/19/607174119.db2.gz LIJBNLBYIBYPKW-LLVKDONJSA-N -1 3 378.396 -0.130 20 0 GBADHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000822335744 607174044 /nfs/dbraw/zinc/17/40/44/607174044.db2.gz LIJBNLBYIBYPKW-NSHDSACASA-N -1 3 378.396 -0.130 20 0 GBADHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000822335744 607174043 /nfs/dbraw/zinc/17/40/43/607174043.db2.gz LIJBNLBYIBYPKW-NSHDSACASA-N -1 3 378.396 -0.130 20 0 GBADHM Cc1cn(C[C@@H](O)CN2CCOCC2)c(=O)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822384869 607380936 /nfs/dbraw/zinc/38/09/36/607380936.db2.gz SFKKEOVKRZQJBY-INIZCTEOSA-N -1 3 385.428 -0.179 20 0 GBADHM Cc1cn(C[C@@H](O)CN2CCOCC2)c(=O)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822384869 607380934 /nfs/dbraw/zinc/38/09/34/607380934.db2.gz SFKKEOVKRZQJBY-INIZCTEOSA-N -1 3 385.428 -0.179 20 0 GBADHM Cc1cn(C[C@H](O)CN2CCOCC2)c(=O)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822384870 607380908 /nfs/dbraw/zinc/38/09/08/607380908.db2.gz SFKKEOVKRZQJBY-MRXNPFEDSA-N -1 3 385.428 -0.179 20 0 GBADHM Cc1cn(C[C@H](O)CN2CCOCC2)c(=O)n1-c1ccc(-c2nnn[n-]2)cc1 ZINC000822384870 607380906 /nfs/dbraw/zinc/38/09/06/607380906.db2.gz SFKKEOVKRZQJBY-MRXNPFEDSA-N -1 3 385.428 -0.179 20 0 GBADHM Cc1conc1NC(=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000822402504 607437141 /nfs/dbraw/zinc/43/71/41/607437141.db2.gz BUPORSQLTNLGHL-UHFFFAOYSA-N -1 3 383.372 -0.155 20 0 GBADHM Cc1conc1NC(=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000822402504 607437140 /nfs/dbraw/zinc/43/71/40/607437140.db2.gz BUPORSQLTNLGHL-UHFFFAOYSA-N -1 3 383.372 -0.155 20 0 GBADHM Cc1conc1NC(=O)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000822402792 607437238 /nfs/dbraw/zinc/43/72/38/607437238.db2.gz GVRJAPWOUMYEEB-UHFFFAOYSA-N -1 3 383.372 -0.155 20 0 GBADHM Cc1conc1NC(=O)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000822402792 607437236 /nfs/dbraw/zinc/43/72/36/607437236.db2.gz GVRJAPWOUMYEEB-UHFFFAOYSA-N -1 3 383.372 -0.155 20 0 GBADHM Cc1conc1NC(=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000822403143 607437052 /nfs/dbraw/zinc/43/70/52/607437052.db2.gz LJADJCWDNURMFF-UHFFFAOYSA-N -1 3 383.372 -0.155 20 0 GBADHM Cc1conc1NC(=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000822403143 607437050 /nfs/dbraw/zinc/43/70/50/607437050.db2.gz LJADJCWDNURMFF-UHFFFAOYSA-N -1 3 383.372 -0.155 20 0 GBADHM Cc1n[nH]cc1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822419359 607002554 /nfs/dbraw/zinc/00/25/54/607002554.db2.gz PYGONIBAPHBWCG-JTQLQIEISA-N -1 3 390.429 -0.119 20 0 GBADHM Cc1n[nH]cc1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822419360 607002769 /nfs/dbraw/zinc/00/27/69/607002769.db2.gz PYGONIBAPHBWCG-SNVBAGLBSA-N -1 3 390.429 -0.119 20 0 GBADHM Cc1n[nH]cc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822419792 607003446 /nfs/dbraw/zinc/00/34/46/607003446.db2.gz WAXDARAMWUDKCJ-JTQLQIEISA-N -1 3 390.429 -0.119 20 0 GBADHM Cc1n[nH]cc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822419793 607002978 /nfs/dbraw/zinc/00/29/78/607002978.db2.gz WAXDARAMWUDKCJ-SNVBAGLBSA-N -1 3 390.429 -0.119 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCC[C@@H](CO)C3)CC2)o1 ZINC000822422834 606374659 /nfs/dbraw/zinc/37/46/59/606374659.db2.gz DIWAVQCLWXRJFW-CYBMUJFWSA-N -1 3 390.448 -0.484 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCC[C@H](CO)C3)CC2)o1 ZINC000822422836 606374232 /nfs/dbraw/zinc/37/42/32/606374232.db2.gz DIWAVQCLWXRJFW-ZDUSSCGKSA-N -1 3 390.448 -0.484 20 0 GBADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCC(C)(O)CC3)CC2)o1 ZINC000822423527 607124175 /nfs/dbraw/zinc/12/41/75/607124175.db2.gz LOLAQNJNBBXGDX-UHFFFAOYSA-N -1 3 390.448 -0.341 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCC(C)(O)CC3)CC2)o1 ZINC000822423527 607124173 /nfs/dbraw/zinc/12/41/73/607124173.db2.gz LOLAQNJNBBXGDX-UHFFFAOYSA-N -1 3 390.448 -0.341 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CSc3cn[nH]n3)CC2)o1 ZINC000822424079 606874821 /nfs/dbraw/zinc/87/48/21/606874821.db2.gz QTJSQNKUZMQLFQ-UHFFFAOYSA-N -1 3 376.406 -0.278 20 0 GBADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)CC[C@@H](C)O)CC2)o1 ZINC000822424241 599640613 /nfs/dbraw/zinc/64/06/13/599640613.db2.gz UVPBPDMRBOUBAO-LLVKDONJSA-N -1 3 378.437 -0.486 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN(C)CC[C@@H](C)O)CC2)o1 ZINC000822424241 599640612 /nfs/dbraw/zinc/64/06/12/599640612.db2.gz UVPBPDMRBOUBAO-LLVKDONJSA-N -1 3 378.437 -0.486 20 0 GBADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN(C)CC[C@H](C)O)CC2)o1 ZINC000822424245 599640539 /nfs/dbraw/zinc/64/05/39/599640539.db2.gz UVPBPDMRBOUBAO-NSHDSACASA-N -1 3 378.437 -0.486 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN(C)CC[C@H](C)O)CC2)o1 ZINC000822424245 599640538 /nfs/dbraw/zinc/64/05/38/599640538.db2.gz UVPBPDMRBOUBAO-NSHDSACASA-N -1 3 378.437 -0.486 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CC[C@](C)(O)C3)CC2)o1 ZINC000822424256 946085094 /nfs/dbraw/zinc/08/50/94/946085094.db2.gz VBIUALZLPOTHGS-INIZCTEOSA-N -1 3 376.421 -0.732 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CC[C@@](C)(O)C3)CC2)o1 ZINC000822424260 946086569 /nfs/dbraw/zinc/08/65/69/946086569.db2.gz VBIUALZLPOTHGS-MRXNPFEDSA-N -1 3 376.421 -0.732 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN(CCO)C(C)C)CC2)o1 ZINC000822424665 946084948 /nfs/dbraw/zinc/08/49/48/946084948.db2.gz YOTSINDXPUOSIR-UHFFFAOYSA-N -1 3 378.437 -0.486 20 0 GBADHM Cc1nc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000822441067 607037352 /nfs/dbraw/zinc/03/73/52/607037352.db2.gz RMLYJGUAGXFMTG-MRVPVSSYSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000822441067 607037350 /nfs/dbraw/zinc/03/73/50/607037350.db2.gz RMLYJGUAGXFMTG-MRVPVSSYSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000822441068 607037133 /nfs/dbraw/zinc/03/71/33/607037133.db2.gz RMLYJGUAGXFMTG-QMMMGPOBSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000822441068 607037132 /nfs/dbraw/zinc/03/71/32/607037132.db2.gz RMLYJGUAGXFMTG-QMMMGPOBSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822441112 607037424 /nfs/dbraw/zinc/03/74/24/607037424.db2.gz UFPMJHZEOZGNIC-MRVPVSSYSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822441112 607037422 /nfs/dbraw/zinc/03/74/22/607037422.db2.gz UFPMJHZEOZGNIC-MRVPVSSYSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822441113 607037218 /nfs/dbraw/zinc/03/72/18/607037218.db2.gz UFPMJHZEOZGNIC-QMMMGPOBSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822441113 607037216 /nfs/dbraw/zinc/03/72/16/607037216.db2.gz UFPMJHZEOZGNIC-QMMMGPOBSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000822444162 607083139 /nfs/dbraw/zinc/08/31/39/607083139.db2.gz DTTSSZXKLJRIFV-MRVPVSSYSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000822444162 607083138 /nfs/dbraw/zinc/08/31/38/607083138.db2.gz DTTSSZXKLJRIFV-MRVPVSSYSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000822444163 607083242 /nfs/dbraw/zinc/08/32/42/607083242.db2.gz DTTSSZXKLJRIFV-QMMMGPOBSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000822444163 607083240 /nfs/dbraw/zinc/08/32/40/607083240.db2.gz DTTSSZXKLJRIFV-QMMMGPOBSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822444281 607083317 /nfs/dbraw/zinc/08/33/17/607083317.db2.gz KCJNEZXQXZRSNF-MRVPVSSYSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822444281 607083315 /nfs/dbraw/zinc/08/33/15/607083315.db2.gz KCJNEZXQXZRSNF-MRVPVSSYSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822444282 607083466 /nfs/dbraw/zinc/08/34/66/607083466.db2.gz KCJNEZXQXZRSNF-QMMMGPOBSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822444282 607083464 /nfs/dbraw/zinc/08/34/64/607083464.db2.gz KCJNEZXQXZRSNF-QMMMGPOBSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nc(NC(=O)Cn2nnnc2C(C)C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822449665 606103696 /nfs/dbraw/zinc/10/36/96/606103696.db2.gz JKJHXKZNOPBVJC-UHFFFAOYSA-N -1 3 394.403 -0.074 20 0 GBADHM Cc1nc(NC(=O)c2cc(C(N)=O)cn2C)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822449834 607501654 /nfs/dbraw/zinc/50/16/54/607501654.db2.gz RFTFHCGRAVIRKV-UHFFFAOYSA-N -1 3 392.383 -0.133 20 0 GBADHM Cc1nc(NC(=O)[C@H](C)CS(C)(=O)=O)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822450010 606149799 /nfs/dbraw/zinc/14/97/99/606149799.db2.gz YVIHSHZHEZQEPO-SECBINFHSA-N -1 3 390.429 -0.203 20 0 GBADHM Cc1nc(NC(=O)[C@@H](C)CS(C)(=O)=O)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822450011 606149942 /nfs/dbraw/zinc/14/99/42/606149942.db2.gz YVIHSHZHEZQEPO-VIFPVBQESA-N -1 3 390.429 -0.203 20 0 GBADHM Cc1nc(S(=O)(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cn1C ZINC000822453164 607042037 /nfs/dbraw/zinc/04/20/37/607042037.db2.gz DLXYVINOTOYUJW-UHFFFAOYSA-N -1 3 389.445 -0.185 20 0 GBADHM Cc1nc(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cn1C ZINC000822453164 607042035 /nfs/dbraw/zinc/04/20/35/607042035.db2.gz DLXYVINOTOYUJW-UHFFFAOYSA-N -1 3 389.445 -0.185 20 0 GBADHM Cc1nc(SCC(=O)NCCC(=O)NC(N)=O)c(-c2nn[n-]n2)c(C)c1C ZINC000822453981 606953967 /nfs/dbraw/zinc/95/39/67/606953967.db2.gz QQZSDSOMXXGNAZ-UHFFFAOYSA-N -1 3 392.445 -0.020 20 0 GBADHM Cc1nc(SCC(=O)NCCC(=O)NC(N)=O)c(-c2nnn[n-]2)c(C)c1C ZINC000822453981 606953966 /nfs/dbraw/zinc/95/39/66/606953966.db2.gz QQZSDSOMXXGNAZ-UHFFFAOYSA-N -1 3 392.445 -0.020 20 0 GBADHM Cc1nc(NC(=O)c2ccc3nnnn3c2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822454147 607018627 /nfs/dbraw/zinc/01/86/27/607018627.db2.gz UQQWPNZHAVEDHE-UHFFFAOYSA-N -1 3 388.355 -0.132 20 0 GBADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000822462365 607337695 /nfs/dbraw/zinc/33/76/95/607337695.db2.gz IDFQBNVVXSFARQ-JTQLQIEISA-N -1 3 385.363 -0.025 20 0 GBADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000822462365 607337694 /nfs/dbraw/zinc/33/76/94/607337694.db2.gz IDFQBNVVXSFARQ-JTQLQIEISA-N -1 3 385.363 -0.025 20 0 GBADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000822462366 607337199 /nfs/dbraw/zinc/33/71/99/607337199.db2.gz IDFQBNVVXSFARQ-SNVBAGLBSA-N -1 3 385.363 -0.025 20 0 GBADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000822462366 607337197 /nfs/dbraw/zinc/33/71/97/607337197.db2.gz IDFQBNVVXSFARQ-SNVBAGLBSA-N -1 3 385.363 -0.025 20 0 GBADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000822463070 606400112 /nfs/dbraw/zinc/40/01/12/606400112.db2.gz OYWRPOAVNGHFIH-JTQLQIEISA-N -1 3 385.363 -0.025 20 0 GBADHM Cc1nc2n(n1)C[C@@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000822463070 606400111 /nfs/dbraw/zinc/40/01/11/606400111.db2.gz OYWRPOAVNGHFIH-JTQLQIEISA-N -1 3 385.363 -0.025 20 0 GBADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC000822463071 606400173 /nfs/dbraw/zinc/40/01/73/606400173.db2.gz OYWRPOAVNGHFIH-SNVBAGLBSA-N -1 3 385.363 -0.025 20 0 GBADHM Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC000822463071 606400172 /nfs/dbraw/zinc/40/01/72/606400172.db2.gz OYWRPOAVNGHFIH-SNVBAGLBSA-N -1 3 385.363 -0.025 20 0 GBADHM Cc1nc2n(n1)C[C@H](Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC2 ZINC000822463419 599518976 /nfs/dbraw/zinc/51/89/76/599518976.db2.gz QVIVBPMUCMBVKT-SECBINFHSA-N -1 3 375.418 -0.159 20 0 GBADHM Cc1nc2n(n1)C[C@H](Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC2 ZINC000822463419 599518975 /nfs/dbraw/zinc/51/89/75/599518975.db2.gz QVIVBPMUCMBVKT-SECBINFHSA-N -1 3 375.418 -0.159 20 0 GBADHM Cc1nc2n(n1)C[C@@H](Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC2 ZINC000822463420 599518961 /nfs/dbraw/zinc/51/89/61/599518961.db2.gz QVIVBPMUCMBVKT-VIFPVBQESA-N -1 3 375.418 -0.159 20 0 GBADHM Cc1nc2n(n1)C[C@@H](Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC2 ZINC000822463420 599518960 /nfs/dbraw/zinc/51/89/60/599518960.db2.gz QVIVBPMUCMBVKT-VIFPVBQESA-N -1 3 375.418 -0.159 20 0 GBADHM Cc1nn(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)c(N)c1-c1nnn[n-]1 ZINC000822496225 607160019 /nfs/dbraw/zinc/16/00/19/607160019.db2.gz FRDLMBILHZCPEH-GFCCVEGCSA-N -1 3 377.453 -0.573 20 0 GBADHM Cc1nn(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)c(N)c1-c1nnn[n-]1 ZINC000822496226 607160347 /nfs/dbraw/zinc/16/03/47/607160347.db2.gz FRDLMBILHZCPEH-LBPRGKRZSA-N -1 3 377.453 -0.573 20 0 GBADHM Cc1nn(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)c(N)c1-c1nn[n-]n1 ZINC000822496301 606827467 /nfs/dbraw/zinc/82/74/67/606827467.db2.gz IRCYJVMQZGVPSD-UHFFFAOYSA-N -1 3 399.481 -0.870 20 0 GBADHM Cc1nn(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)c(N)c1-c1nnn[n-]1 ZINC000822496301 606827465 /nfs/dbraw/zinc/82/74/65/606827465.db2.gz IRCYJVMQZGVPSD-UHFFFAOYSA-N -1 3 399.481 -0.870 20 0 GBADHM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000822496320 599319655 /nfs/dbraw/zinc/31/96/55/599319655.db2.gz JHDJCFKBKKASGT-SSDOTTSWSA-N -1 3 394.421 -0.997 20 0 GBADHM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC000822496321 599319061 /nfs/dbraw/zinc/31/90/61/599319061.db2.gz JHDJCFKBKKASGT-ZETCQYMHSA-N -1 3 394.421 -0.997 20 0 GBADHM Cc1nn(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c(N)c1-c1nn[n-]n1 ZINC000822496521 607159110 /nfs/dbraw/zinc/15/91/10/607159110.db2.gz PADJWBSXVZGKSZ-LLVKDONJSA-N -1 3 396.477 -0.374 20 0 GBADHM Cc1nn(CC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c(N)c1-c1nnn[n-]1 ZINC000822496521 607159108 /nfs/dbraw/zinc/15/91/08/607159108.db2.gz PADJWBSXVZGKSZ-LLVKDONJSA-N -1 3 396.477 -0.374 20 0 GBADHM Cc1nn(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(N)c1-c1nn[n-]n1 ZINC000822496522 607159210 /nfs/dbraw/zinc/15/92/10/607159210.db2.gz PADJWBSXVZGKSZ-NSHDSACASA-N -1 3 396.477 -0.374 20 0 GBADHM Cc1nn(CC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c(N)c1-c1nnn[n-]1 ZINC000822496522 607159209 /nfs/dbraw/zinc/15/92/09/607159209.db2.gz PADJWBSXVZGKSZ-NSHDSACASA-N -1 3 396.477 -0.374 20 0 GBADHM Cc1nn(CC(=O)NCCOc2ccc3c(c2)OCO3)c(N)c1-c1nn[n-]n1 ZINC000822500701 606825564 /nfs/dbraw/zinc/82/55/64/606825564.db2.gz CIKCDSLODHHZND-UHFFFAOYSA-N -1 3 386.372 -0.122 20 0 GBADHM Cc1nn(CC(=O)NCCOc2ccc3c(c2)OCO3)c(N)c1-c1nnn[n-]1 ZINC000822500701 606825563 /nfs/dbraw/zinc/82/55/63/606825563.db2.gz CIKCDSLODHHZND-UHFFFAOYSA-N -1 3 386.372 -0.122 20 0 GBADHM Cc1nn(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(N)c1-c1nn[n-]n1 ZINC000822500956 607160417 /nfs/dbraw/zinc/16/04/17/607160417.db2.gz ONGPZAGCJHTGCO-UHFFFAOYSA-N -1 3 376.402 -0.004 20 0 GBADHM Cc1nn(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(N)c1-c1nnn[n-]1 ZINC000822500956 607160415 /nfs/dbraw/zinc/16/04/15/607160415.db2.gz ONGPZAGCJHTGCO-UHFFFAOYSA-N -1 3 376.402 -0.004 20 0 GBADHM Cc1nnc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822509540 606998842 /nfs/dbraw/zinc/99/88/42/606998842.db2.gz ACWFYYKMONLHSE-MRVPVSSYSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nnc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822509540 606998841 /nfs/dbraw/zinc/99/88/41/606998841.db2.gz ACWFYYKMONLHSE-MRVPVSSYSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nnc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822509541 606998759 /nfs/dbraw/zinc/99/87/59/606998759.db2.gz ACWFYYKMONLHSE-QMMMGPOBSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nnc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822509541 606998758 /nfs/dbraw/zinc/99/87/58/606998758.db2.gz ACWFYYKMONLHSE-QMMMGPOBSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nnc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000822509919 607328954 /nfs/dbraw/zinc/32/89/54/607328954.db2.gz HIBAMGVGOIGDPP-JTQLQIEISA-N -1 3 380.434 -0.987 20 0 GBADHM Cc1nnc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000822509919 607328953 /nfs/dbraw/zinc/32/89/53/607328953.db2.gz HIBAMGVGOIGDPP-JTQLQIEISA-N -1 3 380.434 -0.987 20 0 GBADHM Cc1nnc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(-c2nn[n-]n2)c1C ZINC000822509920 607328883 /nfs/dbraw/zinc/32/88/83/607328883.db2.gz HIBAMGVGOIGDPP-SNVBAGLBSA-N -1 3 380.434 -0.987 20 0 GBADHM Cc1nnc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(-c2nnn[n-]2)c1C ZINC000822509920 607328882 /nfs/dbraw/zinc/32/88/82/607328882.db2.gz HIBAMGVGOIGDPP-SNVBAGLBSA-N -1 3 380.434 -0.987 20 0 GBADHM Cc1nnc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822510281 606998657 /nfs/dbraw/zinc/99/86/57/606998657.db2.gz LKSUJQQLBFPDQP-MRVPVSSYSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nnc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822510281 606998656 /nfs/dbraw/zinc/99/86/56/606998656.db2.gz LKSUJQQLBFPDQP-MRVPVSSYSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nnc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822510283 606998897 /nfs/dbraw/zinc/99/88/97/606998897.db2.gz LKSUJQQLBFPDQP-QMMMGPOBSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nnc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822510283 606998896 /nfs/dbraw/zinc/99/88/96/606998896.db2.gz LKSUJQQLBFPDQP-QMMMGPOBSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nnc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822510334 607121414 /nfs/dbraw/zinc/12/14/14/607121414.db2.gz LZNGRKMYCDRQCS-MRVPVSSYSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nnc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822510334 607121412 /nfs/dbraw/zinc/12/14/12/607121412.db2.gz LZNGRKMYCDRQCS-MRVPVSSYSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nnc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822510336 607120997 /nfs/dbraw/zinc/12/09/97/607120997.db2.gz LZNGRKMYCDRQCS-QMMMGPOBSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nnc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822510336 607120996 /nfs/dbraw/zinc/12/09/96/607120996.db2.gz LZNGRKMYCDRQCS-QMMMGPOBSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nnc(CN(C)CC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)n1C ZINC000822510411 606022156 /nfs/dbraw/zinc/02/21/56/606022156.db2.gz MTMVLLZLZRFMJG-UHFFFAOYSA-N -1 3 385.432 -0.069 20 0 GBADHM Cc1nnc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822510614 607116681 /nfs/dbraw/zinc/11/66/81/607116681.db2.gz RVRBBRZBVYUFMS-MRVPVSSYSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nnc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822510614 607116679 /nfs/dbraw/zinc/11/66/79/607116679.db2.gz RVRBBRZBVYUFMS-MRVPVSSYSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nnc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822510615 607116418 /nfs/dbraw/zinc/11/64/18/607116418.db2.gz RVRBBRZBVYUFMS-QMMMGPOBSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nnc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822510615 607116416 /nfs/dbraw/zinc/11/64/16/607116416.db2.gz RVRBBRZBVYUFMS-QMMMGPOBSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nnc2n1C[C@H](Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC2 ZINC000822514735 599512058 /nfs/dbraw/zinc/51/20/58/599512058.db2.gz HHZLCUPJDAZYGM-SECBINFHSA-N -1 3 375.418 -0.159 20 0 GBADHM Cc1nnc2n1C[C@H](Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC2 ZINC000822514735 599512056 /nfs/dbraw/zinc/51/20/56/599512056.db2.gz HHZLCUPJDAZYGM-SECBINFHSA-N -1 3 375.418 -0.159 20 0 GBADHM Cc1nnc2n1C[C@@H](Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)CC2 ZINC000822514736 599512530 /nfs/dbraw/zinc/51/25/30/599512530.db2.gz HHZLCUPJDAZYGM-VIFPVBQESA-N -1 3 375.418 -0.159 20 0 GBADHM Cc1nnc2n1C[C@@H](Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)CC2 ZINC000822514736 599512528 /nfs/dbraw/zinc/51/25/28/599512528.db2.gz HHZLCUPJDAZYGM-VIFPVBQESA-N -1 3 375.418 -0.159 20 0 GBADHM CC1N=NC(=S)N1CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822515478 599397577 /nfs/dbraw/zinc/39/75/77/599397577.db2.gz MYBBDLHVCDUXSE-UHFFFAOYSA-N -1 3 387.429 -0.398 20 0 GBADHM CC1N=NC(=S)N1CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822515478 599397574 /nfs/dbraw/zinc/39/75/74/599397574.db2.gz MYBBDLHVCDUXSE-UHFFFAOYSA-N -1 3 387.429 -0.398 20 0 GBADHM Cc1nnc(S[C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n(N)c1=O ZINC000822516365 606311127 /nfs/dbraw/zinc/31/11/27/606311127.db2.gz XDZGSGNQCIDKOX-MRVPVSSYSA-N -1 3 391.442 -0.200 20 0 GBADHM Cc1nnc(S[C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)n(N)c1=O ZINC000822516365 606311126 /nfs/dbraw/zinc/31/11/26/606311126.db2.gz XDZGSGNQCIDKOX-MRVPVSSYSA-N -1 3 391.442 -0.200 20 0 GBADHM Cc1nnc(S[C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)n(N)c1=O ZINC000822516366 606311248 /nfs/dbraw/zinc/31/12/48/606311248.db2.gz XDZGSGNQCIDKOX-QMMMGPOBSA-N -1 3 391.442 -0.200 20 0 GBADHM Cc1nnc(S[C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)n(N)c1=O ZINC000822516366 606311247 /nfs/dbraw/zinc/31/12/47/606311247.db2.gz XDZGSGNQCIDKOX-QMMMGPOBSA-N -1 3 391.442 -0.200 20 0 GBADHM Cc1noc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822527853 946112959 /nfs/dbraw/zinc/11/29/59/946112959.db2.gz HCIWXSHVARSHIZ-MRVPVSSYSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1noc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822527853 946112950 /nfs/dbraw/zinc/11/29/50/946112950.db2.gz HCIWXSHVARSHIZ-MRVPVSSYSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1noc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822527854 946113685 /nfs/dbraw/zinc/11/36/85/946113685.db2.gz HCIWXSHVARSHIZ-QMMMGPOBSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1noc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822527854 946113680 /nfs/dbraw/zinc/11/36/80/946113680.db2.gz HCIWXSHVARSHIZ-QMMMGPOBSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1noc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822528017 946113285 /nfs/dbraw/zinc/11/32/85/946113285.db2.gz PFLPNULSVWWDDB-MRVPVSSYSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1noc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822528017 946113269 /nfs/dbraw/zinc/11/32/69/946113269.db2.gz PFLPNULSVWWDDB-MRVPVSSYSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1noc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822528018 946113848 /nfs/dbraw/zinc/11/38/48/946113848.db2.gz PFLPNULSVWWDDB-QMMMGPOBSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1noc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822528018 946113842 /nfs/dbraw/zinc/11/38/42/946113842.db2.gz PFLPNULSVWWDDB-QMMMGPOBSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1noc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822528099 607083399 /nfs/dbraw/zinc/08/33/99/607083399.db2.gz SEHSNJHRLDOZGE-MRVPVSSYSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1noc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822528099 607083397 /nfs/dbraw/zinc/08/33/97/607083397.db2.gz SEHSNJHRLDOZGE-MRVPVSSYSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1noc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822528100 607083083 /nfs/dbraw/zinc/08/30/83/607083083.db2.gz SEHSNJHRLDOZGE-QMMMGPOBSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1noc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822528100 607083081 /nfs/dbraw/zinc/08/30/81/607083081.db2.gz SEHSNJHRLDOZGE-QMMMGPOBSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1noc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822528134 607083153 /nfs/dbraw/zinc/08/31/53/607083153.db2.gz UMBZXBSRUVGVRJ-MRVPVSSYSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1noc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822528134 607083152 /nfs/dbraw/zinc/08/31/52/607083152.db2.gz UMBZXBSRUVGVRJ-MRVPVSSYSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1noc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822528135 607083076 /nfs/dbraw/zinc/08/30/76/607083076.db2.gz UMBZXBSRUVGVRJ-QMMMGPOBSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1noc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822528135 607083075 /nfs/dbraw/zinc/08/30/75/607083075.db2.gz UMBZXBSRUVGVRJ-QMMMGPOBSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nonc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822530581 607037329 /nfs/dbraw/zinc/03/73/29/607037329.db2.gz ILJIULFBWTUXOI-SECBINFHSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nonc1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822530581 607037327 /nfs/dbraw/zinc/03/73/27/607037327.db2.gz ILJIULFBWTUXOI-SECBINFHSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nonc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822530582 607037229 /nfs/dbraw/zinc/03/72/29/607037229.db2.gz ILJIULFBWTUXOI-VIFPVBQESA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nonc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822530582 607037228 /nfs/dbraw/zinc/03/72/28/607037228.db2.gz ILJIULFBWTUXOI-VIFPVBQESA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nonc1COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822530756 607090139 /nfs/dbraw/zinc/09/01/39/607090139.db2.gz NXGHWIAOQRQGLZ-SECBINFHSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nonc1COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822530756 607090138 /nfs/dbraw/zinc/09/01/38/607090138.db2.gz NXGHWIAOQRQGLZ-SECBINFHSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nonc1COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822530758 607090148 /nfs/dbraw/zinc/09/01/48/607090148.db2.gz NXGHWIAOQRQGLZ-VIFPVBQESA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nonc1COC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822530758 607090147 /nfs/dbraw/zinc/09/01/47/607090147.db2.gz NXGHWIAOQRQGLZ-VIFPVBQESA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nonc1COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822530790 607090413 /nfs/dbraw/zinc/09/04/13/607090413.db2.gz OQCXWKYKROTKPN-SECBINFHSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nonc1COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822530790 607090412 /nfs/dbraw/zinc/09/04/12/607090412.db2.gz OQCXWKYKROTKPN-SECBINFHSA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nonc1COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822530791 607090489 /nfs/dbraw/zinc/09/04/89/607090489.db2.gz OQCXWKYKROTKPN-VIFPVBQESA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1nonc1COC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822530791 607090488 /nfs/dbraw/zinc/09/04/88/607090488.db2.gz OQCXWKYKROTKPN-VIFPVBQESA-N -1 3 393.385 -0.032 20 0 GBADHM Cc1noc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822530887 946116762 /nfs/dbraw/zinc/11/67/62/946116762.db2.gz RRCPAEDUMUVKRX-SSDOTTSWSA-N -1 3 378.374 -0.136 20 0 GBADHM Cc1noc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822530887 946116753 /nfs/dbraw/zinc/11/67/53/946116753.db2.gz RRCPAEDUMUVKRX-SSDOTTSWSA-N -1 3 378.374 -0.136 20 0 GBADHM Cc1noc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822530888 946116734 /nfs/dbraw/zinc/11/67/34/946116734.db2.gz RRCPAEDUMUVKRX-ZETCQYMHSA-N -1 3 378.374 -0.136 20 0 GBADHM Cc1noc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822530888 946116718 /nfs/dbraw/zinc/11/67/18/946116718.db2.gz RRCPAEDUMUVKRX-ZETCQYMHSA-N -1 3 378.374 -0.136 20 0 GBADHM Cc1noc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822530902 946115781 /nfs/dbraw/zinc/11/57/81/946115781.db2.gz SDJQVHKQGFKPHC-SSDOTTSWSA-N -1 3 378.374 -0.136 20 0 GBADHM Cc1noc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822530902 946115777 /nfs/dbraw/zinc/11/57/77/946115777.db2.gz SDJQVHKQGFKPHC-SSDOTTSWSA-N -1 3 378.374 -0.136 20 0 GBADHM Cc1noc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822530903 946116240 /nfs/dbraw/zinc/11/62/40/946116240.db2.gz SDJQVHKQGFKPHC-ZETCQYMHSA-N -1 3 378.374 -0.136 20 0 GBADHM Cc1noc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822530903 946116236 /nfs/dbraw/zinc/11/62/36/946116236.db2.gz SDJQVHKQGFKPHC-ZETCQYMHSA-N -1 3 378.374 -0.136 20 0 GBADHM Cc1nonc1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822531327 607037120 /nfs/dbraw/zinc/03/71/20/607037120.db2.gz YOPBIGICTXIYRC-SECBINFHSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nonc1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822531327 607037119 /nfs/dbraw/zinc/03/71/19/607037119.db2.gz YOPBIGICTXIYRC-SECBINFHSA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nonc1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822531329 607037162 /nfs/dbraw/zinc/03/71/62/607037162.db2.gz YOPBIGICTXIYRC-VIFPVBQESA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1nonc1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822531329 607037161 /nfs/dbraw/zinc/03/71/61/607037161.db2.gz YOPBIGICTXIYRC-VIFPVBQESA-N -1 3 392.401 -0.459 20 0 GBADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000822535529 607229261 /nfs/dbraw/zinc/22/92/61/607229261.db2.gz VPNARIQVFCTTHG-JTQLQIEISA-N -1 3 396.367 -0.065 20 0 GBADHM Cc1oc(-n2cccc2)c(-c2nnn[n-]2)c1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000822535530 607229062 /nfs/dbraw/zinc/22/90/62/607229062.db2.gz VPNARIQVFCTTHG-SNVBAGLBSA-N -1 3 396.367 -0.065 20 0 GBADHM Cc1oc(NC(=O)CN(C)C[C@@H](O)CN2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000822540486 606336212 /nfs/dbraw/zinc/33/62/12/606336212.db2.gz BOZNPABZPFYDIA-CYBMUJFWSA-N -1 3 393.448 -0.360 20 0 GBADHM Cc1oc(NC(=O)CN(C)C[C@@H](O)CN2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000822540486 606336210 /nfs/dbraw/zinc/33/62/10/606336210.db2.gz BOZNPABZPFYDIA-CYBMUJFWSA-N -1 3 393.448 -0.360 20 0 GBADHM Cc1oc(NC(=O)CN(C)C[C@H](O)CN2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000822540487 606336493 /nfs/dbraw/zinc/33/64/93/606336493.db2.gz BOZNPABZPFYDIA-ZDUSSCGKSA-N -1 3 393.448 -0.360 20 0 GBADHM Cc1oc(NC(=O)CN(C)C[C@H](O)CN2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000822540487 606336491 /nfs/dbraw/zinc/33/64/91/606336491.db2.gz BOZNPABZPFYDIA-ZDUSSCGKSA-N -1 3 393.448 -0.360 20 0 GBADHM Cc1oc(C(=O)NCCNc2ncccc2-c2nn[n-]n2)cc1S(N)(=O)=O ZINC000822541636 606722110 /nfs/dbraw/zinc/72/21/10/606722110.db2.gz PBFHJJBJKIAHIT-UHFFFAOYSA-N -1 3 392.401 -0.348 20 0 GBADHM Cc1oc(C(=O)NCCNc2ncccc2-c2nnn[n-]2)cc1S(N)(=O)=O ZINC000822541636 606722109 /nfs/dbraw/zinc/72/21/09/606722109.db2.gz PBFHJJBJKIAHIT-UHFFFAOYSA-N -1 3 392.401 -0.348 20 0 GBADHM Cc1oc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cc1S(N)(=O)=O ZINC000822541743 606719842 /nfs/dbraw/zinc/71/98/42/606719842.db2.gz PUYWCTVWHQAKIX-UHFFFAOYSA-N -1 3 392.401 -0.348 20 0 GBADHM Cc1oc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cc1S(N)(=O)=O ZINC000822541743 606719840 /nfs/dbraw/zinc/71/98/40/606719840.db2.gz PUYWCTVWHQAKIX-UHFFFAOYSA-N -1 3 392.401 -0.348 20 0 GBADHM Cc1oc(NC(=O)CN(C)CCN2CCCS2(=O)=O)c(-c2nnn[n-]2)c1C ZINC000822548516 606506580 /nfs/dbraw/zinc/50/65/80/606506580.db2.gz LLOWYCLZVRTUPH-UHFFFAOYSA-N -1 3 397.461 -0.018 20 0 GBADHM Cc1oc(NC(=O)CN2CCN(C(C)(C)C(N)=O)CC2)c(-c2nnn[n-]2)c1C ZINC000822548755 606095002 /nfs/dbraw/zinc/09/50/02/606095002.db2.gz NDMZNKNTYDVPPQ-UHFFFAOYSA-N -1 3 390.448 -0.103 20 0 GBADHM Cc1oc(NC(=O)CN(CCO)CCN2CCOCC2)c(-c2nn[n-]n2)c1C ZINC000822549006 607454500 /nfs/dbraw/zinc/45/45/00/607454500.db2.gz RKIGPUIFYOMAKC-UHFFFAOYSA-N -1 3 393.448 -0.358 20 0 GBADHM Cc1oc(NC(=O)CN(CCO)CCN2CCOCC2)c(-c2nnn[n-]2)c1C ZINC000822549006 607454498 /nfs/dbraw/zinc/45/44/98/607454498.db2.gz RKIGPUIFYOMAKC-UHFFFAOYSA-N -1 3 393.448 -0.358 20 0 GBADHM Cc1oc(NC(=O)CN2CCC[C@H](S(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000822549169 606073527 /nfs/dbraw/zinc/07/35/27/606073527.db2.gz UPZREHIWVROHGR-JTQLQIEISA-N -1 3 383.434 -0.232 20 0 GBADHM Cc1oc(NC(=O)CN2CCC[C@@H](S(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000822549170 606072897 /nfs/dbraw/zinc/07/28/97/606072897.db2.gz UPZREHIWVROHGR-SNVBAGLBSA-N -1 3 383.434 -0.232 20 0 GBADHM Cc1oc(NC(=O)CN2CCN(C(=O)CN(C)C)CC2)c(-c2nnn[n-]2)c1C ZINC000822549202 607362723 /nfs/dbraw/zinc/36/27/23/607362723.db2.gz VOLYCQDNEQZECV-UHFFFAOYSA-N -1 3 390.448 -0.279 20 0 GBADHM Cc1sc(NC(=O)CN2CC[C@@]3(C2)NC(=O)NC3=O)c(-c2nn[n-]n2)c1C ZINC000822558199 606114620 /nfs/dbraw/zinc/11/46/20/606114620.db2.gz MUDDDUFEDXRRJA-HNNXBMFYSA-N -1 3 390.429 -0.233 20 0 GBADHM Cc1sc(NC(=O)CN2CC[C@@]3(C2)NC(=O)NC3=O)c(-c2nnn[n-]2)c1C ZINC000822558199 606114618 /nfs/dbraw/zinc/11/46/18/606114618.db2.gz MUDDDUFEDXRRJA-HNNXBMFYSA-N -1 3 390.429 -0.233 20 0 GBADHM Cc1sc(NC(=O)CN2CC[C@]3(C2)NC(=O)NC3=O)c(-c2nn[n-]n2)c1C ZINC000822558200 606114761 /nfs/dbraw/zinc/11/47/61/606114761.db2.gz 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ZINC000822674389 606228746 /nfs/dbraw/zinc/22/87/46/606228746.db2.gz RSGVLQWWNCXBOJ-CQSZACIVSA-N -1 3 390.429 -0.175 20 0 GBADHM Cn1cc(N2CCN(C(=O)NCCNc3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000822679370 606058401 /nfs/dbraw/zinc/05/84/01/606058401.db2.gz CPEPPLZMAWAHLT-UHFFFAOYSA-N -1 3 397.447 -0.061 20 0 GBADHM Cn1cc(N2CCN(C(=O)NCCNc3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000822679370 606058395 /nfs/dbraw/zinc/05/83/95/606058395.db2.gz CPEPPLZMAWAHLT-UHFFFAOYSA-N -1 3 397.447 -0.061 20 0 GBADHM Cn1cc(N2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000822679532 606119298 /nfs/dbraw/zinc/11/92/98/606119298.db2.gz FNPNMHNCYIDEHK-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1cc(N2CCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000822679532 606119297 /nfs/dbraw/zinc/11/92/97/606119297.db2.gz FNPNMHNCYIDEHK-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1cc(N2CCN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000822679567 946156038 /nfs/dbraw/zinc/15/60/38/946156038.db2.gz GRDKFGGHYHYAED-UHFFFAOYSA-N -1 3 395.427 -0.321 20 0 GBADHM Cn1cc(N2CCN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)CC2)cn1 ZINC000822679567 946156027 /nfs/dbraw/zinc/15/60/27/946156027.db2.gz GRDKFGGHYHYAED-UHFFFAOYSA-N -1 3 395.427 -0.321 20 0 GBADHM Cn1cc(N2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2=O)cn1 ZINC000822679887 606117553 /nfs/dbraw/zinc/11/75/53/606117553.db2.gz JTNIMJJVCQANEY-UHFFFAOYSA-N -1 3 382.384 -0.146 20 0 GBADHM Cn1cc(N2CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2=O)cn1 ZINC000822679887 606117551 /nfs/dbraw/zinc/11/75/51/606117551.db2.gz JTNIMJJVCQANEY-UHFFFAOYSA-N -1 3 382.384 -0.146 20 0 GBADHM Cn1cc(N2CCN(C(=O)C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822679940 606129065 /nfs/dbraw/zinc/12/90/65/606129065.db2.gz KKHLAKRJHJNZAF-UHFFFAOYSA-N -1 3 395.383 -0.586 20 0 GBADHM Cn1cc(N2CCN(C(=O)C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2=O)cn1 ZINC000822679940 606129064 /nfs/dbraw/zinc/12/90/64/606129064.db2.gz KKHLAKRJHJNZAF-UHFFFAOYSA-N -1 3 395.383 -0.586 20 0 GBADHM Cn1cc(N2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2=O)cn1 ZINC000822680383 606117341 /nfs/dbraw/zinc/11/73/41/606117341.db2.gz NCPMOCOQMCOGGT-UHFFFAOYSA-N -1 3 382.384 -0.146 20 0 GBADHM Cn1cc(N2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2=O)cn1 ZINC000822680383 606117340 /nfs/dbraw/zinc/11/73/40/606117340.db2.gz NCPMOCOQMCOGGT-UHFFFAOYSA-N -1 3 382.384 -0.146 20 0 GBADHM Cn1cc(N2CCN(C(=O)NCCNc3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000822680397 606058797 /nfs/dbraw/zinc/05/87/97/606058797.db2.gz NQVMYBMODWKZBQ-UHFFFAOYSA-N -1 3 397.447 -0.061 20 0 GBADHM Cn1cc(N2CCN(C(=O)NCCNc3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000822680397 606058792 /nfs/dbraw/zinc/05/87/92/606058792.db2.gz NQVMYBMODWKZBQ-UHFFFAOYSA-N -1 3 397.447 -0.061 20 0 GBADHM Cn1cc(N2CCC[C@@H](N[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822680489 599381521 /nfs/dbraw/zinc/38/15/21/599381521.db2.gz PAXYMVMBXUPECA-CABCVRRESA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1cc(N2CCC[C@@H](N[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822680489 599381518 /nfs/dbraw/zinc/38/15/18/599381518.db2.gz PAXYMVMBXUPECA-CABCVRRESA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1cc(N2CCC[C@H](N[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822680494 599381106 /nfs/dbraw/zinc/38/11/06/599381106.db2.gz PAXYMVMBXUPECA-GJZGRUSLSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1cc(N2CCC[C@H](N[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822680494 599381103 /nfs/dbraw/zinc/38/11/03/599381103.db2.gz PAXYMVMBXUPECA-GJZGRUSLSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1cc(N2CCC[C@@H](N[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822680497 599381436 /nfs/dbraw/zinc/38/14/36/599381436.db2.gz PAXYMVMBXUPECA-HUUCEWRRSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1cc(N2CCC[C@@H](N[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822680497 599381433 /nfs/dbraw/zinc/38/14/33/599381433.db2.gz PAXYMVMBXUPECA-HUUCEWRRSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1cc(N2CCC[C@H](N[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000822680498 599381446 /nfs/dbraw/zinc/38/14/46/599381446.db2.gz PAXYMVMBXUPECA-LSDHHAIUSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1cc(N2CCC[C@H](N[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000822680498 599381444 /nfs/dbraw/zinc/38/14/44/599381444.db2.gz PAXYMVMBXUPECA-LSDHHAIUSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1cc(N2CCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)cn1 ZINC000822680907 606119699 /nfs/dbraw/zinc/11/96/99/606119699.db2.gz QXNUPIGZFUMNFA-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1cc(N2CCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)cn1 ZINC000822680907 606119698 /nfs/dbraw/zinc/11/96/98/606119698.db2.gz QXNUPIGZFUMNFA-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1cc(N2CCN(C(=O)C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2=O)cn1 ZINC000822681170 606128945 /nfs/dbraw/zinc/12/89/45/606128945.db2.gz VCYXLPHTSCKGBB-UHFFFAOYSA-N -1 3 395.383 -0.586 20 0 GBADHM Cn1cc(N2CCN(C(=O)C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2=O)cn1 ZINC000822681170 606128944 /nfs/dbraw/zinc/12/89/44/606128944.db2.gz VCYXLPHTSCKGBB-UHFFFAOYSA-N -1 3 395.383 -0.586 20 0 GBADHM Cn1cc(N2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822681270 606117774 /nfs/dbraw/zinc/11/77/74/606117774.db2.gz WDHQYFYNYYKGST-UHFFFAOYSA-N -1 3 382.384 -0.146 20 0 GBADHM Cn1cc(N2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822681614 606117844 /nfs/dbraw/zinc/11/78/44/606117844.db2.gz YXPMSMUIFMNMRJ-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1cc(NC(=O)C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)cn1 ZINC000822684548 606814475 /nfs/dbraw/zinc/81/44/75/606814475.db2.gz AUACBASMPAFWNJ-UHFFFAOYSA-N -1 3 382.388 -0.718 20 0 GBADHM Cn1cc(NC(=O)C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)cn1 ZINC000822684548 606814473 /nfs/dbraw/zinc/81/44/73/606814473.db2.gz AUACBASMPAFWNJ-UHFFFAOYSA-N -1 3 382.388 -0.718 20 0 GBADHM Cn1cc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)cn1 ZINC000822684551 946156399 /nfs/dbraw/zinc/15/63/99/946156399.db2.gz BAGBDSLLKCUYQT-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1cc(NC(=O)C(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)cn1 ZINC000822684551 946156393 /nfs/dbraw/zinc/15/63/93/946156393.db2.gz BAGBDSLLKCUYQT-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822684566 599648425 /nfs/dbraw/zinc/64/84/25/599648425.db2.gz BMQFTQUBHZRPLY-UHFFFAOYSA-N -1 3 377.386 -0.265 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822684566 599648424 /nfs/dbraw/zinc/64/84/24/599648424.db2.gz BMQFTQUBHZRPLY-UHFFFAOYSA-N -1 3 377.386 -0.265 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)c2cc(-c3nn[n-]n3)cs2)cn1 ZINC000822684608 606566143 /nfs/dbraw/zinc/56/61/43/606566143.db2.gz DUAIQWYGZXSTEQ-UHFFFAOYSA-N -1 3 383.415 -0.203 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)c2cc(-c3nnn[n-]3)cs2)cn1 ZINC000822684608 606566141 /nfs/dbraw/zinc/56/61/41/606566141.db2.gz DUAIQWYGZXSTEQ-UHFFFAOYSA-N -1 3 383.415 -0.203 20 0 GBADHM Cn1cc(N2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2=O)cn1 ZINC000822684629 606123469 /nfs/dbraw/zinc/12/34/69/606123469.db2.gz FMHQECPGTTTZSN-UHFFFAOYSA-N -1 3 388.413 -0.362 20 0 GBADHM Cn1cc(N2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2=O)cn1 ZINC000822684629 606123468 /nfs/dbraw/zinc/12/34/68/606123468.db2.gz FMHQECPGTTTZSN-UHFFFAOYSA-N -1 3 388.413 -0.362 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822684636 599648963 /nfs/dbraw/zinc/64/89/63/599648963.db2.gz FQIKYZVVPNTLCI-UHFFFAOYSA-N -1 3 377.386 -0.265 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000822684636 599648962 /nfs/dbraw/zinc/64/89/62/599648962.db2.gz FQIKYZVVPNTLCI-UHFFFAOYSA-N -1 3 377.386 -0.265 20 0 GBADHM Cn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2Cl)c(=O)n(C)c1=O ZINC000822684731 606378620 /nfs/dbraw/zinc/37/86/20/606378620.db2.gz GEBMAHMTMMORBB-UHFFFAOYSA-N -1 3 398.788 -0.315 20 0 GBADHM Cn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2Cl)c(=O)n(C)c1=O ZINC000822684731 606378618 /nfs/dbraw/zinc/37/86/18/606378618.db2.gz GEBMAHMTMMORBB-UHFFFAOYSA-N -1 3 398.788 -0.315 20 0 GBADHM Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822684760 599491047 /nfs/dbraw/zinc/49/10/47/599491047.db2.gz GYQZVRNNWTYOJB-UHFFFAOYSA-N -1 3 379.377 -0.078 20 0 GBADHM Cn1cc(S(N)(=O)=O)cc1C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822684760 599491045 /nfs/dbraw/zinc/49/10/45/599491045.db2.gz GYQZVRNNWTYOJB-UHFFFAOYSA-N -1 3 379.377 -0.078 20 0 GBADHM Cn1cc(N2CCN(CC(=O)Nc3sccc3-c3nn[n-]n3)CC2=O)cn1 ZINC000822684764 606116483 /nfs/dbraw/zinc/11/64/83/606116483.db2.gz HBTUSGFAUDBGDX-UHFFFAOYSA-N -1 3 387.429 -0.051 20 0 GBADHM Cn1cc(N2CCN(CC(=O)Nc3sccc3-c3nnn[n-]3)CC2=O)cn1 ZINC000822684764 606116482 /nfs/dbraw/zinc/11/64/82/606116482.db2.gz HBTUSGFAUDBGDX-UHFFFAOYSA-N -1 3 387.429 -0.051 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cn1 ZINC000822684769 599172203 /nfs/dbraw/zinc/17/22/03/599172203.db2.gz HMCAEQZDLNVZHJ-UHFFFAOYSA-N -1 3 394.392 -0.666 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)cc1C(N)=O ZINC000822684770 599357044 /nfs/dbraw/zinc/35/70/44/599357044.db2.gz HMLOEOSDZYAEDQ-UHFFFAOYSA-N -1 3 391.413 -0.339 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)c2cc(-c3nn[n-]n3)cn2C)cn1 ZINC000822684820 606383665 /nfs/dbraw/zinc/38/36/65/606383665.db2.gz KJUKQUFWJXWANN-UHFFFAOYSA-N -1 3 380.390 -0.926 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)c2cc(-c3nnn[n-]3)cn2C)cn1 ZINC000822684820 606383664 /nfs/dbraw/zinc/38/36/64/606383664.db2.gz KJUKQUFWJXWANN-UHFFFAOYSA-N -1 3 380.390 -0.926 20 0 GBADHM Cn1cc(N2CCN(S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)CC2=O)cn1 ZINC000822684825 606123472 /nfs/dbraw/zinc/12/34/72/606123472.db2.gz KUXJDBPPSNWNMP-UHFFFAOYSA-N -1 3 388.413 -0.362 20 0 GBADHM Cn1cc(N2CCN(S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)CC2=O)cn1 ZINC000822684825 606123471 /nfs/dbraw/zinc/12/34/71/606123471.db2.gz KUXJDBPPSNWNMP-UHFFFAOYSA-N -1 3 388.413 -0.362 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822684826 606146590 /nfs/dbraw/zinc/14/65/90/606146590.db2.gz KYLVBUSPJIYAHU-UHFFFAOYSA-N -1 3 391.413 -0.336 20 0 GBADHM Cn1cc(N2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822684827 606123419 /nfs/dbraw/zinc/12/34/19/606123419.db2.gz KZXIHELKLYHLFY-UHFFFAOYSA-N -1 3 388.413 -0.362 20 0 GBADHM Cn1cc(N2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)CC2=O)cn1 ZINC000822684827 606123418 /nfs/dbraw/zinc/12/34/18/606123418.db2.gz KZXIHELKLYHLFY-UHFFFAOYSA-N -1 3 388.413 -0.362 20 0 GBADHM Cn1cc(N2CCN(c3ccc(S(N)(=O)=O)cc3-c3nn[n-]n3)CC2)cn1 ZINC000822684832 606042882 /nfs/dbraw/zinc/04/28/82/606042882.db2.gz LGDHKWJDNRDTGZ-UHFFFAOYSA-N -1 3 389.445 -0.426 20 0 GBADHM Cn1cc(N2CCN(c3ccc(S(N)(=O)=O)cc3-c3nnn[n-]3)CC2)cn1 ZINC000822684832 606042877 /nfs/dbraw/zinc/04/28/77/606042877.db2.gz LGDHKWJDNRDTGZ-UHFFFAOYSA-N -1 3 389.445 -0.426 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)cn1 ZINC000822684833 607079641 /nfs/dbraw/zinc/07/96/41/607079641.db2.gz LGICZAODMNKTJU-UHFFFAOYSA-N -1 3 395.376 -0.239 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)cn1 ZINC000822684833 607079640 /nfs/dbraw/zinc/07/96/40/607079640.db2.gz LGICZAODMNKTJU-UHFFFAOYSA-N -1 3 395.376 -0.239 20 0 GBADHM Cn1cc(N2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2=O)cn1 ZINC000822684909 606116441 /nfs/dbraw/zinc/11/64/41/606116441.db2.gz LOFIKEUXBRGDET-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1cc(N2CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2=O)cn1 ZINC000822684909 606116440 /nfs/dbraw/zinc/11/64/40/606116440.db2.gz LOFIKEUXBRGDET-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1cc(N2CCN(CC(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2=O)cn1 ZINC000822684914 606116479 /nfs/dbraw/zinc/11/64/79/606116479.db2.gz LVORSJHCFCVJRX-UHFFFAOYSA-N -1 3 395.427 -0.435 20 0 GBADHM Cn1cc(N2CCN(CC(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2=O)cn1 ZINC000822684914 606116478 /nfs/dbraw/zinc/11/64/78/606116478.db2.gz LVORSJHCFCVJRX-UHFFFAOYSA-N -1 3 395.427 -0.435 20 0 GBADHM Cn1cc(NC(=O)C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cn1 ZINC000822684937 606814030 /nfs/dbraw/zinc/81/40/30/606814030.db2.gz MSMNFFBKCJMRTP-UHFFFAOYSA-N -1 3 382.388 -0.718 20 0 GBADHM Cn1cc(NC(=O)C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cn1 ZINC000822684937 606814027 /nfs/dbraw/zinc/81/40/27/606814027.db2.gz MSMNFFBKCJMRTP-UHFFFAOYSA-N -1 3 382.388 -0.718 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000822685007 599660795 /nfs/dbraw/zinc/66/07/95/599660795.db2.gz OYSYYFFPNMGICT-UHFFFAOYSA-N -1 3 378.374 -0.870 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(-c3nnn[n-]3)cn2)cn1 ZINC000822685007 599660794 /nfs/dbraw/zinc/66/07/94/599660794.db2.gz OYSYYFFPNMGICT-UHFFFAOYSA-N -1 3 378.374 -0.870 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000822685016 606995742 /nfs/dbraw/zinc/99/57/42/606995742.db2.gz PUOBKUKRDDCELD-UHFFFAOYSA-N -1 3 395.376 -0.239 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000822685016 606995740 /nfs/dbraw/zinc/99/57/40/606995740.db2.gz PUOBKUKRDDCELD-UHFFFAOYSA-N -1 3 395.376 -0.239 20 0 GBADHM Cn1cc(N2CCN(CC(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822685035 606116499 /nfs/dbraw/zinc/11/64/99/606116499.db2.gz QOMYPOKDHJIHAZ-UHFFFAOYSA-N -1 3 395.427 -0.435 20 0 GBADHM Cn1cc(N2CCN(CC(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2=O)cn1 ZINC000822685035 606116497 /nfs/dbraw/zinc/11/64/97/606116497.db2.gz QOMYPOKDHJIHAZ-UHFFFAOYSA-N -1 3 395.427 -0.435 20 0 GBADHM Cn1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822685048 606793551 /nfs/dbraw/zinc/79/35/51/606793551.db2.gz QVPWDULTSKFEHY-UHFFFAOYSA-N -1 3 398.788 -0.315 20 0 GBADHM Cn1cc(S(=O)(=O)Oc2cc(Cl)ccc2-c2nnn[n-]2)c(=O)n(C)c1=O ZINC000822685048 606793549 /nfs/dbraw/zinc/79/35/49/606793549.db2.gz QVPWDULTSKFEHY-UHFFFAOYSA-N -1 3 398.788 -0.315 20 0 GBADHM Cn1cc(N2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822685057 606116684 /nfs/dbraw/zinc/11/66/84/606116684.db2.gz QYFAJEMYVNKRFN-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1cc(N2CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2=O)cn1 ZINC000822685057 606116683 /nfs/dbraw/zinc/11/66/83/606116683.db2.gz QYFAJEMYVNKRFN-UHFFFAOYSA-N -1 3 381.400 -0.113 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)c2sccc2-c2nn[n-]n2)cn1 ZINC000822685062 599659650 /nfs/dbraw/zinc/65/96/50/599659650.db2.gz RBAMZNCBBCNWBX-UHFFFAOYSA-N -1 3 383.415 -0.203 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)c2sccc2-c2nnn[n-]2)cn1 ZINC000822685062 599659649 /nfs/dbraw/zinc/65/96/49/599659649.db2.gz RBAMZNCBBCNWBX-UHFFFAOYSA-N -1 3 383.415 -0.203 20 0 GBADHM Cn1cc(S(=O)(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1C(N)=O ZINC000822685087 599365588 /nfs/dbraw/zinc/36/55/88/599365588.db2.gz RURJVBPGWKGWMU-UHFFFAOYSA-N -1 3 379.377 -0.078 20 0 GBADHM Cn1cc(S(=O)(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1C(N)=O ZINC000822685087 599365585 /nfs/dbraw/zinc/36/55/85/599365585.db2.gz RURJVBPGWKGWMU-UHFFFAOYSA-N -1 3 379.377 -0.078 20 0 GBADHM Cn1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2F)c(=O)n(C)c1=O ZINC000822685152 607143047 /nfs/dbraw/zinc/14/30/47/607143047.db2.gz TUKLHGJEWIPPTR-UHFFFAOYSA-N -1 3 382.333 -0.829 20 0 GBADHM Cn1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2F)c(=O)n(C)c1=O ZINC000822685152 607143046 /nfs/dbraw/zinc/14/30/46/607143046.db2.gz TUKLHGJEWIPPTR-UHFFFAOYSA-N -1 3 382.333 -0.829 20 0 GBADHM Cn1cc(S(=O)(=O)NCCOC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822685242 599659503 /nfs/dbraw/zinc/65/95/03/599659503.db2.gz VSSZWKTYEFZKSD-UHFFFAOYSA-N -1 3 391.413 -0.336 20 0 GBADHM Cn1cc(N2CCN(C[C@H](O)COc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822685277 606627198 /nfs/dbraw/zinc/62/71/98/606627198.db2.gz WQLKGUUORQAFDN-HNNXBMFYSA-N -1 3 398.427 -0.311 20 0 GBADHM Cn1cc(N2CCN(C[C@@H](O)COc3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822685279 606627166 /nfs/dbraw/zinc/62/71/66/606627166.db2.gz WQLKGUUORQAFDN-OAHLLOKOSA-N -1 3 398.427 -0.311 20 0 GBADHM Cn1cc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822685303 606116649 /nfs/dbraw/zinc/11/66/49/606116649.db2.gz WZIDCKISVRXWCG-HNNXBMFYSA-N -1 3 381.400 -0.525 20 0 GBADHM Cn1cc(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2=O)cn1 ZINC000822685303 606116648 /nfs/dbraw/zinc/11/66/48/606116648.db2.gz WZIDCKISVRXWCG-HNNXBMFYSA-N -1 3 381.400 -0.525 20 0 GBADHM Cn1cc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2=O)cn1 ZINC000822685305 606116244 /nfs/dbraw/zinc/11/62/44/606116244.db2.gz WZIDCKISVRXWCG-OAHLLOKOSA-N -1 3 381.400 -0.525 20 0 GBADHM Cn1cc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2=O)cn1 ZINC000822685305 606116242 /nfs/dbraw/zinc/11/62/42/606116242.db2.gz WZIDCKISVRXWCG-OAHLLOKOSA-N -1 3 381.400 -0.525 20 0 GBADHM Cn1cc(S(N)(=O)=O)cc1C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822685393 599469639 /nfs/dbraw/zinc/46/96/39/599469639.db2.gz YTWWQRFYZMKMFU-UHFFFAOYSA-N -1 3 391.413 -0.339 20 0 GBADHM Cn1cc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cn1 ZINC000822685425 606814080 /nfs/dbraw/zinc/81/40/80/606814080.db2.gz ZKXFHXRULIQJNU-UHFFFAOYSA-N -1 3 382.388 -0.718 20 0 GBADHM Cn1cc(NC(=O)C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cn1 ZINC000822685425 606814078 /nfs/dbraw/zinc/81/40/78/606814078.db2.gz ZKXFHXRULIQJNU-UHFFFAOYSA-N -1 3 382.388 -0.718 20 0 GBADHM Cn1cc(NC(=O)C(=O)N2CCN(Cc3ccc(-c4nn[n-]n4)cc3)CC2)cn1 ZINC000822685431 606814402 /nfs/dbraw/zinc/81/44/02/606814402.db2.gz ZSFJUCOUQJLINW-UHFFFAOYSA-N -1 3 395.427 -0.117 20 0 GBADHM Cn1cccc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000822688866 606659258 /nfs/dbraw/zinc/65/92/58/606659258.db2.gz BIOJEPUGRSZGPD-UHFFFAOYSA-N -1 3 383.368 -0.301 20 0 GBADHM Cn1ccc(N2CCC[C@H](N[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822690112 599383951 /nfs/dbraw/zinc/38/39/51/599383951.db2.gz SLUJRULYTNWGBW-DZGCQCFKSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1ccc(N2CCC[C@H](N[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000822690112 599383946 /nfs/dbraw/zinc/38/39/46/599383946.db2.gz SLUJRULYTNWGBW-DZGCQCFKSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1ccc(N2CCC[C@@H](N[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822690114 599383557 /nfs/dbraw/zinc/38/35/57/599383557.db2.gz SLUJRULYTNWGBW-HIFRSBDPSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1ccc(N2CCC[C@@H](N[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000822690114 599383556 /nfs/dbraw/zinc/38/35/56/599383556.db2.gz SLUJRULYTNWGBW-HIFRSBDPSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1ccc(N2CCC[C@@H](N[C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822690117 599384018 /nfs/dbraw/zinc/38/40/18/599384018.db2.gz SLUJRULYTNWGBW-UKRRQHHQSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1ccc(N2CCC[C@@H](N[C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000822690117 599384016 /nfs/dbraw/zinc/38/40/16/599384016.db2.gz SLUJRULYTNWGBW-UKRRQHHQSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1ccc(N2CCC[C@H](N[C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC000822690119 599384031 /nfs/dbraw/zinc/38/40/31/599384031.db2.gz SLUJRULYTNWGBW-ZFWWWQNUSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1ccc(N2CCC[C@H](N[C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC000822690119 599384028 /nfs/dbraw/zinc/38/40/28/599384028.db2.gz SLUJRULYTNWGBW-ZFWWWQNUSA-N -1 3 395.427 -0.088 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000822693292 599668547 /nfs/dbraw/zinc/66/85/47/599668547.db2.gz ANQSCODONAXSHX-UHFFFAOYSA-N -1 3 395.427 -0.008 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)CC2)c1=O ZINC000822693292 599668546 /nfs/dbraw/zinc/66/85/46/599668546.db2.gz ANQSCODONAXSHX-UHFFFAOYSA-N -1 3 395.427 -0.008 20 0 GBADHM Cn1ccnc(N2CCN(C[C@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000822693443 606862462 /nfs/dbraw/zinc/86/24/62/606862462.db2.gz DXMKKRIWDKFGAG-HNNXBMFYSA-N -1 3 382.428 -0.184 20 0 GBADHM Cn1ccnc(N2CCN(C[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000822693444 606862798 /nfs/dbraw/zinc/86/27/98/606862798.db2.gz DXMKKRIWDKFGAG-OAHLLOKOSA-N -1 3 382.428 -0.184 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)COc3cccc(-c4nn[n-]n4)c3)CC2)c1=O ZINC000822693569 599653969 /nfs/dbraw/zinc/65/39/69/599653969.db2.gz FTDNRHRHYAPFEH-UHFFFAOYSA-N -1 3 396.411 -0.312 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)COc3cccc(-c4nnn[n-]4)c3)CC2)c1=O ZINC000822693569 599653968 /nfs/dbraw/zinc/65/39/68/599653968.db2.gz FTDNRHRHYAPFEH-UHFFFAOYSA-N -1 3 396.411 -0.312 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)CNc3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000822693596 599653971 /nfs/dbraw/zinc/65/39/71/599653971.db2.gz GQYBPFFMGPPFEB-UHFFFAOYSA-N -1 3 395.427 -0.279 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)NCc3cccc(-c4nn[n-]n4)c3)CC2)c1=O ZINC000822693609 946158543 /nfs/dbraw/zinc/15/85/43/946158543.db2.gz HBLACTALFGLILW-UHFFFAOYSA-N -1 3 395.427 -0.008 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)NCc3cccc(-c4nnn[n-]4)c3)CC2)c1=O ZINC000822693609 946158535 /nfs/dbraw/zinc/15/85/35/946158535.db2.gz HBLACTALFGLILW-UHFFFAOYSA-N -1 3 395.427 -0.008 20 0 GBADHM Cn1ccnc(N2CCN(CC(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1=O ZINC000822693840 599691327 /nfs/dbraw/zinc/69/13/27/599691327.db2.gz LHOWTIWDNIMCJG-UHFFFAOYSA-N -1 3 395.427 -0.279 20 0 GBADHM Cn1ccnc(N2CCN(CC(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1=O ZINC000822693840 599691326 /nfs/dbraw/zinc/69/13/26/599691326.db2.gz LHOWTIWDNIMCJG-UHFFFAOYSA-N -1 3 395.427 -0.279 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CC2)c1=O ZINC000822693996 606581336 /nfs/dbraw/zinc/58/13/36/606581336.db2.gz QRCSWRUZXUPTQQ-UHFFFAOYSA-N -1 3 380.412 -0.148 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)CC2)c1=O ZINC000822693996 606581335 /nfs/dbraw/zinc/58/13/35/606581335.db2.gz QRCSWRUZXUPTQQ-UHFFFAOYSA-N -1 3 380.412 -0.148 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)COc3ccccc3-c3nn[n-]n3)CC2)c1=O ZINC000822694013 599654139 /nfs/dbraw/zinc/65/41/39/599654139.db2.gz RFWNTHOXRAFILE-UHFFFAOYSA-N -1 3 396.411 -0.312 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)COc3ccccc3-c3nnn[n-]3)CC2)c1=O ZINC000822694013 599654138 /nfs/dbraw/zinc/65/41/38/599654138.db2.gz RFWNTHOXRAFILE-UHFFFAOYSA-N -1 3 396.411 -0.312 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000822694053 599654081 /nfs/dbraw/zinc/65/40/81/599654081.db2.gz SQUITJWLYWTUQI-UHFFFAOYSA-N -1 3 380.412 -0.148 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CC2)c1=O ZINC000822694053 599654080 /nfs/dbraw/zinc/65/40/80/599654080.db2.gz SQUITJWLYWTUQI-UHFFFAOYSA-N -1 3 380.412 -0.148 20 0 GBADHM Cn1ccnc(N2CCN(CC(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000822694073 599691229 /nfs/dbraw/zinc/69/12/29/599691229.db2.gz UFRDQYJCCPLENB-UHFFFAOYSA-N -1 3 395.427 -0.279 20 0 GBADHM Cn1ccnc(N2CCN(CC(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)c1=O ZINC000822694073 599691228 /nfs/dbraw/zinc/69/12/28/599691228.db2.gz UFRDQYJCCPLENB-UHFFFAOYSA-N -1 3 395.427 -0.279 20 0 GBADHM Cn1ccnc(N2CCN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000822694162 599691465 /nfs/dbraw/zinc/69/14/65/599691465.db2.gz XQGXUPVXJXWOCA-AWEZNQCLSA-N -1 3 395.427 -0.691 20 0 GBADHM Cn1ccnc(N2CCN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1=O ZINC000822694162 599691464 /nfs/dbraw/zinc/69/14/64/599691464.db2.gz XQGXUPVXJXWOCA-AWEZNQCLSA-N -1 3 395.427 -0.691 20 0 GBADHM Cn1ccnc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000822694163 599691436 /nfs/dbraw/zinc/69/14/36/599691436.db2.gz XQGXUPVXJXWOCA-CQSZACIVSA-N -1 3 395.427 -0.691 20 0 GBADHM Cn1ccnc(N2CCN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)CC2)c1=O ZINC000822694163 599691435 /nfs/dbraw/zinc/69/14/35/599691435.db2.gz XQGXUPVXJXWOCA-CQSZACIVSA-N -1 3 395.427 -0.691 20 0 GBADHM Cn1ccnc(N2CCN(C(=O)COc3ccc(-c4nn[n-]n4)cc3)CC2)c1=O ZINC000822694186 599654091 /nfs/dbraw/zinc/65/40/91/599654091.db2.gz YFHNBSYVQIIHES-UHFFFAOYSA-N -1 3 396.411 -0.312 20 0 GBADHM Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822698675 606722122 /nfs/dbraw/zinc/72/21/22/606722122.db2.gz AOLNUQUIADBVDS-UHFFFAOYSA-N -1 3 380.365 -0.344 20 0 GBADHM Cn1cnc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822698675 606722121 /nfs/dbraw/zinc/72/21/21/606722121.db2.gz AOLNUQUIADBVDS-UHFFFAOYSA-N -1 3 380.365 -0.344 20 0 GBADHM Cn1cnc(S(=O)(=O)NCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822698678 607003889 /nfs/dbraw/zinc/00/38/89/607003889.db2.gz AXVFIDWOVACYLJ-UHFFFAOYSA-N -1 3 395.376 -0.239 20 0 GBADHM Cn1cnc(S(=O)(=O)NCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822698678 607003887 /nfs/dbraw/zinc/00/38/87/607003887.db2.gz AXVFIDWOVACYLJ-UHFFFAOYSA-N -1 3 395.376 -0.239 20 0 GBADHM Cn1cnc(S(=O)(=O)NCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 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NS(=O)(=O)[C@@H]1CCCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000822889683 606073658 /nfs/dbraw/zinc/07/36/58/606073658.db2.gz AZVQRVNOFFKGFG-ZIAGYGMSSA-N -1 3 391.457 -0.275 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000822889683 606073654 /nfs/dbraw/zinc/07/36/54/606073654.db2.gz AZVQRVNOFFKGFG-ZIAGYGMSSA-N -1 3 391.457 -0.275 20 0 GBADHM NC(=O)c1nccnc1C(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822889701 599696093 /nfs/dbraw/zinc/69/60/93/599696093.db2.gz BUMIZAVEQGUKON-UHFFFAOYSA-N -1 3 393.411 -0.286 20 0 GBADHM NC(=O)c1nccnc1C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822889701 599696092 /nfs/dbraw/zinc/69/60/92/599696092.db2.gz BUMIZAVEQGUKON-UHFFFAOYSA-N -1 3 393.411 -0.286 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822890162 606073136 /nfs/dbraw/zinc/07/31/36/606073136.db2.gz NLWHGFMOJPUVEY-CYBMUJFWSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000822890162 606073129 /nfs/dbraw/zinc/07/31/29/606073129.db2.gz NLWHGFMOJPUVEY-CYBMUJFWSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)[C@H]1CCCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000822890163 606073032 /nfs/dbraw/zinc/07/30/32/606073032.db2.gz NLWHGFMOJPUVEY-ZDUSSCGKSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)[C@H]1CCCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000822890163 606073026 /nfs/dbraw/zinc/07/30/26/606073026.db2.gz NLWHGFMOJPUVEY-ZDUSSCGKSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822890175 606066823 /nfs/dbraw/zinc/06/68/23/606066823.db2.gz OFKDMGSBAMUBIK-CYBMUJFWSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822890175 606066817 /nfs/dbraw/zinc/06/68/17/606066817.db2.gz OFKDMGSBAMUBIK-CYBMUJFWSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)[C@H]1CCCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822890176 606067202 /nfs/dbraw/zinc/06/72/02/606067202.db2.gz OFKDMGSBAMUBIK-ZDUSSCGKSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)[C@H]1CCCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822890176 606067197 /nfs/dbraw/zinc/06/71/97/606067197.db2.gz OFKDMGSBAMUBIK-ZDUSSCGKSA-N -1 3 379.446 -0.764 20 0 GBADHM NC(=O)c1nccnc1C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822890189 599699638 /nfs/dbraw/zinc/69/96/38/599699638.db2.gz OVLZRKRHDKGDGD-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NC(=O)c1nccnc1C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822890189 599699637 /nfs/dbraw/zinc/69/96/37/599699637.db2.gz OVLZRKRHDKGDGD-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@H](Cn3cncn3)C2)c(-c2nn[n-]n2)c1 ZINC000822894600 599537780 /nfs/dbraw/zinc/53/77/80/599537780.db2.gz CSKSSOFAKHPODY-JTQLQIEISA-N -1 3 391.417 -0.989 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@H](Cn3cncn3)C2)c(-c2nnn[n-]2)c1 ZINC000822894600 599537778 /nfs/dbraw/zinc/53/77/78/599537778.db2.gz CSKSSOFAKHPODY-JTQLQIEISA-N -1 3 391.417 -0.989 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@@H](Cn3cncn3)C2)c(-c2nn[n-]n2)c1 ZINC000822894601 599538047 /nfs/dbraw/zinc/53/80/47/599538047.db2.gz CSKSSOFAKHPODY-SNVBAGLBSA-N -1 3 391.417 -0.989 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@@H](Cn3cncn3)C2)c(-c2nnn[n-]2)c1 ZINC000822894601 599538044 /nfs/dbraw/zinc/53/80/44/599538044.db2.gz CSKSSOFAKHPODY-SNVBAGLBSA-N -1 3 391.417 -0.989 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000822894605 607236953 /nfs/dbraw/zinc/23/69/53/607236953.db2.gz CXIYSVZWZVHDMF-SECBINFHSA-N -1 3 385.837 -0.179 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000822894605 607236952 /nfs/dbraw/zinc/23/69/52/607236952.db2.gz CXIYSVZWZVHDMF-SECBINFHSA-N -1 3 385.837 -0.179 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC000822894606 607236805 /nfs/dbraw/zinc/23/68/05/607236805.db2.gz CXIYSVZWZVHDMF-VIFPVBQESA-N -1 3 385.837 -0.179 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)C1 ZINC000822894606 607236804 /nfs/dbraw/zinc/23/68/04/607236804.db2.gz CXIYSVZWZVHDMF-VIFPVBQESA-N -1 3 385.837 -0.179 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000822894698 946213479 /nfs/dbraw/zinc/21/34/79/946213479.db2.gz FGXFYHJMUNEYBA-GFCCVEGCSA-N -1 3 380.430 -0.085 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000822894698 946213473 /nfs/dbraw/zinc/21/34/73/946213473.db2.gz FGXFYHJMUNEYBA-GFCCVEGCSA-N -1 3 380.430 -0.085 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000822894700 607235113 /nfs/dbraw/zinc/23/51/13/607235113.db2.gz FGXFYHJMUNEYBA-LBPRGKRZSA-N -1 3 380.430 -0.085 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000822894700 607235112 /nfs/dbraw/zinc/23/51/12/607235112.db2.gz FGXFYHJMUNEYBA-LBPRGKRZSA-N -1 3 380.430 -0.085 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCOC3(CCOCC3)C2)c(-c2nn[n-]n2)c1 ZINC000822894778 607131627 /nfs/dbraw/zinc/13/16/27/607131627.db2.gz GBIGJJPMJOOLER-UHFFFAOYSA-N -1 3 380.430 -0.100 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCOC3(CCOCC3)C2)c(-c2nnn[n-]2)c1 ZINC000822894778 607131626 /nfs/dbraw/zinc/13/16/26/607131626.db2.gz GBIGJJPMJOOLER-UHFFFAOYSA-N -1 3 380.430 -0.100 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC[C@H](N3CCNC3=O)C2)c(-c2nn[n-]n2)c1 ZINC000822894785 599496823 /nfs/dbraw/zinc/49/68/23/599496823.db2.gz GDOXCVLOLSJUDI-JTQLQIEISA-N -1 3 392.445 -0.492 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC[C@H](N3CCNC3=O)C2)c(-c2nnn[n-]2)c1 ZINC000822894785 599496821 /nfs/dbraw/zinc/49/68/21/599496821.db2.gz GDOXCVLOLSJUDI-JTQLQIEISA-N -1 3 392.445 -0.492 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC[C@@H](N3CCNC3=O)C2)c(-c2nn[n-]n2)c1 ZINC000822894786 599497048 /nfs/dbraw/zinc/49/70/48/599497048.db2.gz GDOXCVLOLSJUDI-SNVBAGLBSA-N -1 3 392.445 -0.492 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC[C@@H](N3CCNC3=O)C2)c(-c2nnn[n-]2)c1 ZINC000822894786 599497046 /nfs/dbraw/zinc/49/70/46/599497046.db2.gz GDOXCVLOLSJUDI-SNVBAGLBSA-N -1 3 392.445 -0.492 20 0 GBADHM NS(=O)(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)CC1 ZINC000822894800 606482343 /nfs/dbraw/zinc/48/23/43/606482343.db2.gz GMYVQPSKSAQFKH-UHFFFAOYSA-N -1 3 389.388 -0.211 20 0 GBADHM NS(=O)(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)CC1 ZINC000822894800 606482341 /nfs/dbraw/zinc/48/23/41/606482341.db2.gz GMYVQPSKSAQFKH-UHFFFAOYSA-N -1 3 389.388 -0.211 20 0 GBADHM NS(=O)(=O)CCN1CCN(CCOc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822894822 606090259 /nfs/dbraw/zinc/09/02/59/606090259.db2.gz HEQKSFVIORGUFF-UHFFFAOYSA-N -1 3 381.462 -0.848 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC(N3CCNC3=O)CC2)c(-c2nn[n-]n2)c1 ZINC000822894936 599487032 /nfs/dbraw/zinc/48/70/32/599487032.db2.gz HYMDSFJFRUEXDN-UHFFFAOYSA-N -1 3 392.445 -0.492 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC(N3CCNC3=O)CC2)c(-c2nnn[n-]2)c1 ZINC000822894936 599487031 /nfs/dbraw/zinc/48/70/31/599487031.db2.gz HYMDSFJFRUEXDN-UHFFFAOYSA-N -1 3 392.445 -0.492 20 0 GBADHM NS(=O)(=O)N1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000822894938 946213058 /nfs/dbraw/zinc/21/30/58/946213058.db2.gz IDCIVADWVPPWTF-UHFFFAOYSA-N -1 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ZINC000822894984 607236996 /nfs/dbraw/zinc/23/69/96/607236996.db2.gz JSTDSHNYSJSWQL-CHWSQXEVSA-N -1 3 377.430 -0.665 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000822894984 607236995 /nfs/dbraw/zinc/23/69/95/607236995.db2.gz JSTDSHNYSJSWQL-CHWSQXEVSA-N -1 3 377.430 -0.665 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000822894985 607236672 /nfs/dbraw/zinc/23/66/72/607236672.db2.gz JSTDSHNYSJSWQL-OLZOCXBDSA-N -1 3 377.430 -0.665 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000822894985 607236671 /nfs/dbraw/zinc/23/66/71/607236671.db2.gz JSTDSHNYSJSWQL-OLZOCXBDSA-N -1 3 377.430 -0.665 20 0 GBADHM NS(=O)(=O)[C@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000822894986 607236945 /nfs/dbraw/zinc/23/69/45/607236945.db2.gz JSTDSHNYSJSWQL-QWHCGFSZSA-N -1 3 377.430 -0.665 20 0 GBADHM NS(=O)(=O)[C@H]1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000822894986 607236944 /nfs/dbraw/zinc/23/69/44/607236944.db2.gz JSTDSHNYSJSWQL-QWHCGFSZSA-N -1 3 377.430 -0.665 20 0 GBADHM NS(=O)(=O)[C@H]1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000822894987 607236756 /nfs/dbraw/zinc/23/67/56/607236756.db2.gz JSTDSHNYSJSWQL-STQMWFEESA-N -1 3 377.430 -0.665 20 0 GBADHM NS(=O)(=O)[C@H]1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000822894987 607236755 /nfs/dbraw/zinc/23/67/55/607236755.db2.gz JSTDSHNYSJSWQL-STQMWFEESA-N -1 3 377.430 -0.665 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822895002 606235790 /nfs/dbraw/zinc/23/57/90/606235790.db2.gz KFENDUITDMCPPP-UHFFFAOYSA-N -1 3 376.354 -0.118 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822895002 606235788 /nfs/dbraw/zinc/23/57/88/606235788.db2.gz KFENDUITDMCPPP-UHFFFAOYSA-N -1 3 376.354 -0.118 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822895005 607235131 /nfs/dbraw/zinc/23/51/31/607235131.db2.gz KIADTQZQFCEMJN-LLVKDONJSA-N -1 3 380.430 -0.085 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822895005 607235130 /nfs/dbraw/zinc/23/51/30/607235130.db2.gz KIADTQZQFCEMJN-LLVKDONJSA-N -1 3 380.430 -0.085 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822895006 607235134 /nfs/dbraw/zinc/23/51/34/607235134.db2.gz KIADTQZQFCEMJN-NSHDSACASA-N -1 3 380.430 -0.085 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822895006 607235133 /nfs/dbraw/zinc/23/51/33/607235133.db2.gz KIADTQZQFCEMJN-NSHDSACASA-N -1 3 380.430 -0.085 20 0 GBADHM NS(=O)(=O)N1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000822895025 946213944 /nfs/dbraw/zinc/21/39/44/946213944.db2.gz KWINOSWAYRAGSW-UHFFFAOYSA-N -1 3 391.417 -0.762 20 0 GBADHM NS(=O)(=O)N1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000822895025 946213934 /nfs/dbraw/zinc/21/39/34/946213934.db2.gz KWINOSWAYRAGSW-UHFFFAOYSA-N -1 3 391.417 -0.762 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822895145 606527086 /nfs/dbraw/zinc/52/70/86/606527086.db2.gz LNTGADBNBNHKQC-GFCCVEGCSA-N -1 3 379.446 -0.559 20 0 GBADHM NS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822895145 606527084 /nfs/dbraw/zinc/52/70/84/606527084.db2.gz LNTGADBNBNHKQC-GFCCVEGCSA-N -1 3 379.446 -0.559 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000822895146 606526740 /nfs/dbraw/zinc/52/67/40/606526740.db2.gz LNTGADBNBNHKQC-LBPRGKRZSA-N -1 3 379.446 -0.559 20 0 GBADHM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000822895146 606526738 /nfs/dbraw/zinc/52/67/38/606526738.db2.gz LNTGADBNBNHKQC-LBPRGKRZSA-N -1 3 379.446 -0.559 20 0 GBADHM NS(=O)(=O)CCN1CCN(CCOc2ccccc2-c2nn[n-]n2)CC1 ZINC000822895151 606090473 /nfs/dbraw/zinc/09/04/73/606090473.db2.gz LPIZASYRFWXCFC-UHFFFAOYSA-N -1 3 381.462 -0.848 20 0 GBADHM NS(=O)(=O)CCN1CCN(CCOc2ccccc2-c2nnn[n-]2)CC1 ZINC000822895151 606090468 /nfs/dbraw/zinc/09/04/68/606090468.db2.gz LPIZASYRFWXCFC-UHFFFAOYSA-N -1 3 381.462 -0.848 20 0 GBADHM NS(=O)(=O)CCN1CCN(CCCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822895153 606929054 /nfs/dbraw/zinc/92/90/54/606929054.db2.gz LQQYDNMHMHNOJR-UHFFFAOYSA-N -1 3 395.489 -0.458 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822895161 606994104 /nfs/dbraw/zinc/99/41/04/606994104.db2.gz MEAZHNBOPBNMGR-UHFFFAOYSA-N -1 3 384.393 -0.036 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000822895161 606994102 /nfs/dbraw/zinc/99/41/02/606994102.db2.gz MEAZHNBOPBNMGR-UHFFFAOYSA-N -1 3 384.393 -0.036 20 0 GBADHM NS(=O)(=O)CCN1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822895201 946213719 /nfs/dbraw/zinc/21/37/19/946213719.db2.gz NNPNOFCRNULYNL-UHFFFAOYSA-N -1 3 393.473 -0.768 20 0 GBADHM NS(=O)(=O)CCN1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822895201 946213710 /nfs/dbraw/zinc/21/37/10/946213710.db2.gz NNPNOFCRNULYNL-UHFFFAOYSA-N -1 3 393.473 -0.768 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2nn[n-]n2)c1 ZINC000822895214 606802702 /nfs/dbraw/zinc/80/27/02/606802702.db2.gz OFFNIRQHXKQDCD-KBPBESRZSA-N -1 3 380.430 -0.102 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2nnn[n-]2)c1 ZINC000822895214 606802700 /nfs/dbraw/zinc/80/27/00/606802700.db2.gz OFFNIRQHXKQDCD-KBPBESRZSA-N -1 3 380.430 -0.102 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@H]([C@H]3CCCO3)C2)c(-c2nn[n-]n2)c1 ZINC000822895215 606802469 /nfs/dbraw/zinc/80/24/69/606802469.db2.gz OFFNIRQHXKQDCD-KGLIPLIRSA-N -1 3 380.430 -0.102 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@H]([C@H]3CCCO3)C2)c(-c2nnn[n-]2)c1 ZINC000822895215 606802467 /nfs/dbraw/zinc/80/24/67/606802467.db2.gz OFFNIRQHXKQDCD-KGLIPLIRSA-N -1 3 380.430 -0.102 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@@H]([C@@H]3CCCO3)C2)c(-c2nn[n-]n2)c1 ZINC000822895216 606803078 /nfs/dbraw/zinc/80/30/78/606803078.db2.gz OFFNIRQHXKQDCD-UONOGXRCSA-N -1 3 380.430 -0.102 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@@H]([C@@H]3CCCO3)C2)c(-c2nnn[n-]2)c1 ZINC000822895216 606803076 /nfs/dbraw/zinc/80/30/76/606803076.db2.gz OFFNIRQHXKQDCD-UONOGXRCSA-N -1 3 380.430 -0.102 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@@H]([C@H]3CCCO3)C2)c(-c2nn[n-]n2)c1 ZINC000822895217 606803022 /nfs/dbraw/zinc/80/30/22/606803022.db2.gz OFFNIRQHXKQDCD-ZIAGYGMSSA-N -1 3 380.430 -0.102 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@@H]([C@H]3CCCO3)C2)c(-c2nnn[n-]2)c1 ZINC000822895217 606803020 /nfs/dbraw/zinc/80/30/20/606803020.db2.gz OFFNIRQHXKQDCD-ZIAGYGMSSA-N -1 3 380.430 -0.102 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC[C@H]2Cn2cncn2)c(-c2nn[n-]n2)c1 ZINC000822895333 599538398 /nfs/dbraw/zinc/53/83/98/599538398.db2.gz OUBOVYYPWQCCHW-JTQLQIEISA-N -1 3 375.418 -0.225 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC[C@H]2Cn2cncn2)c(-c2nnn[n-]2)c1 ZINC000822895333 599538396 /nfs/dbraw/zinc/53/83/96/599538396.db2.gz OUBOVYYPWQCCHW-JTQLQIEISA-N -1 3 375.418 -0.225 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC[C@@H]2Cn2cncn2)c(-c2nn[n-]n2)c1 ZINC000822895334 599537685 /nfs/dbraw/zinc/53/76/85/599537685.db2.gz OUBOVYYPWQCCHW-SNVBAGLBSA-N -1 3 375.418 -0.225 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC[C@@H]2Cn2cncn2)c(-c2nnn[n-]2)c1 ZINC000822895334 599537683 /nfs/dbraw/zinc/53/76/83/599537683.db2.gz OUBOVYYPWQCCHW-SNVBAGLBSA-N -1 3 375.418 -0.225 20 0 GBADHM NS(=O)(=O)CCN1CCN(Cc2cn3ccccc3c2-c2nn[n-]n2)CC1 ZINC000822895350 606090341 /nfs/dbraw/zinc/09/03/41/606090341.db2.gz PFQVEPJGRAHNSF-UHFFFAOYSA-N -1 3 390.473 -0.475 20 0 GBADHM NS(=O)(=O)CCN1CCN(Cc2cn3ccccc3c2-c2nnn[n-]2)CC1 ZINC000822895350 606090336 /nfs/dbraw/zinc/09/03/36/606090336.db2.gz PFQVEPJGRAHNSF-UHFFFAOYSA-N -1 3 390.473 -0.475 20 0 GBADHM NS(=O)(=O)CCN1CCN(CCOc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000822895357 606090284 /nfs/dbraw/zinc/09/02/84/606090284.db2.gz PMOCXBFDYOPLFK-UHFFFAOYSA-N -1 3 381.462 -0.848 20 0 GBADHM NS(=O)(=O)CCN1CCN(CCOc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000822895357 606090280 /nfs/dbraw/zinc/09/02/80/606090280.db2.gz PMOCXBFDYOPLFK-UHFFFAOYSA-N -1 3 381.462 -0.848 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCc2cc(F)ccc2-c2nn[n-]n2)CC1 ZINC000822895359 607077718 /nfs/dbraw/zinc/07/77/18/607077718.db2.gz PNDKAYKHWXBDHQ-UHFFFAOYSA-N -1 3 384.393 -0.036 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCc2cc(F)ccc2-c2nnn[n-]2)CC1 ZINC000822895359 607077717 /nfs/dbraw/zinc/07/77/17/607077717.db2.gz PNDKAYKHWXBDHQ-UHFFFAOYSA-N -1 3 384.393 -0.036 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822895577 607235233 /nfs/dbraw/zinc/23/52/33/607235233.db2.gz UIALTNHFCVZJRO-CYBMUJFWSA-N -1 3 379.446 -0.052 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822895578 607235347 /nfs/dbraw/zinc/23/53/47/607235347.db2.gz UIALTNHFCVZJRO-ZDUSSCGKSA-N -1 3 379.446 -0.052 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822895594 607235253 /nfs/dbraw/zinc/23/52/53/607235253.db2.gz UTOQFOCQZDFABV-GFCCVEGCSA-N -1 3 380.430 -0.085 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822895595 607235323 /nfs/dbraw/zinc/23/53/23/607235323.db2.gz UTOQFOCQZDFABV-LBPRGKRZSA-N -1 3 380.430 -0.085 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC3(CNC(=O)C3)CC2)c(-c2nn[n-]n2)c1 ZINC000822895624 606421541 /nfs/dbraw/zinc/42/15/41/606421541.db2.gz VSUQWSCMRSKBBN-UHFFFAOYSA-N -1 3 377.430 -0.379 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC3(CNC(=O)C3)CC2)c(-c2nnn[n-]2)c1 ZINC000822895624 606421540 /nfs/dbraw/zinc/42/15/40/606421540.db2.gz VSUQWSCMRSKBBN-UHFFFAOYSA-N -1 3 377.430 -0.379 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822895711 607237061 /nfs/dbraw/zinc/23/70/61/607237061.db2.gz WLWGDXVMBSPWOB-SECBINFHSA-N -1 3 385.837 -0.179 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822895711 607237060 /nfs/dbraw/zinc/23/70/60/607237060.db2.gz WLWGDXVMBSPWOB-SECBINFHSA-N -1 3 385.837 -0.179 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000822895712 607237088 /nfs/dbraw/zinc/23/70/88/607237088.db2.gz WLWGDXVMBSPWOB-VIFPVBQESA-N -1 3 385.837 -0.179 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000822895712 607237087 /nfs/dbraw/zinc/23/70/87/607237087.db2.gz WLWGDXVMBSPWOB-VIFPVBQESA-N -1 3 385.837 -0.179 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@@H](Cn3cccn3)C2)c(-c2nn[n-]n2)c1 ZINC000822895714 599538414 /nfs/dbraw/zinc/53/84/14/599538414.db2.gz WMPFBXHNKFIDDQ-LLVKDONJSA-N -1 3 390.429 -0.384 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@@H](Cn3cccn3)C2)c(-c2nnn[n-]2)c1 ZINC000822895714 599538412 /nfs/dbraw/zinc/53/84/12/599538412.db2.gz WMPFBXHNKFIDDQ-LLVKDONJSA-N -1 3 390.429 -0.384 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@H](Cn3cccn3)C2)c(-c2nn[n-]n2)c1 ZINC000822895717 599537861 /nfs/dbraw/zinc/53/78/61/599537861.db2.gz WMPFBXHNKFIDDQ-NSHDSACASA-N -1 3 390.429 -0.384 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCO[C@H](Cn3cccn3)C2)c(-c2nnn[n-]2)c1 ZINC000822895717 599537859 /nfs/dbraw/zinc/53/78/59/599537859.db2.gz WMPFBXHNKFIDDQ-NSHDSACASA-N -1 3 390.429 -0.384 20 0 GBADHM NS(=O)(=O)CCN1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000822895723 606133335 /nfs/dbraw/zinc/13/33/35/606133335.db2.gz WNGZGPWGCPBGRE-UHFFFAOYSA-N -1 3 398.424 -0.556 20 0 GBADHM NS(=O)(=O)CCN1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000822895723 606133334 /nfs/dbraw/zinc/13/33/34/606133334.db2.gz WNGZGPWGCPBGRE-UHFFFAOYSA-N -1 3 398.424 -0.556 20 0 GBADHM NS(=O)(=O)CCN1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000822895728 599555463 /nfs/dbraw/zinc/55/54/63/599555463.db2.gz WNVRZFYEICGLGM-UHFFFAOYSA-N -1 3 380.434 -0.695 20 0 GBADHM NS(=O)(=O)CCN1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000822895728 599555461 /nfs/dbraw/zinc/55/54/61/599555461.db2.gz WNVRZFYEICGLGM-UHFFFAOYSA-N -1 3 380.434 -0.695 20 0 GBADHM NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822895847 606232133 /nfs/dbraw/zinc/23/21/33/606232133.db2.gz ZHDWBUMUAYBOLQ-UHFFFAOYSA-N -1 3 391.369 -0.362 20 0 GBADHM NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822895847 606232131 /nfs/dbraw/zinc/23/21/31/606232131.db2.gz ZHDWBUMUAYBOLQ-UHFFFAOYSA-N -1 3 391.369 -0.362 20 0 GBADHM NS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822895850 607182753 /nfs/dbraw/zinc/18/27/53/607182753.db2.gz ZHVVIMYEHDLIMA-UHFFFAOYSA-N -1 3 387.809 -0.747 20 0 GBADHM NS(=O)(=O)CCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822895850 607182752 /nfs/dbraw/zinc/18/27/52/607182752.db2.gz ZHVVIMYEHDLIMA-UHFFFAOYSA-N -1 3 387.809 -0.747 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000822895887 599184452 /nfs/dbraw/zinc/18/44/52/599184452.db2.gz ZRMUUFKFRWMOEI-UHFFFAOYSA-N -1 3 383.409 -0.463 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000822895887 599184449 /nfs/dbraw/zinc/18/44/49/599184449.db2.gz ZRMUUFKFRWMOEI-UHFFFAOYSA-N -1 3 383.409 -0.463 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000822898856 607448575 /nfs/dbraw/zinc/44/85/75/607448575.db2.gz ASXIUMXFPAUBSZ-LLVKDONJSA-N -1 3 381.356 -0.830 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1 ZINC000822898856 607448574 /nfs/dbraw/zinc/44/85/74/607448574.db2.gz ASXIUMXFPAUBSZ-LLVKDONJSA-N -1 3 381.356 -0.830 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000822898860 607448803 /nfs/dbraw/zinc/44/88/03/607448803.db2.gz ASXIUMXFPAUBSZ-NSHDSACASA-N -1 3 381.356 -0.830 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1 ZINC000822898860 607448802 /nfs/dbraw/zinc/44/88/02/607448802.db2.gz ASXIUMXFPAUBSZ-NSHDSACASA-N -1 3 381.356 -0.830 20 0 GBADHM NS(=O)(=O)c1cnn(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822899276 599490694 /nfs/dbraw/zinc/49/06/94/599490694.db2.gz FPDMXVCJOYKHOX-UHFFFAOYSA-N -1 3 380.365 -0.834 20 0 GBADHM NS(=O)(=O)c1cnn(CCC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822899347 599167245 /nfs/dbraw/zinc/16/72/45/599167245.db2.gz GXQKEPLDSAGULD-UHFFFAOYSA-N -1 3 394.392 -0.444 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000822899372 606582913 /nfs/dbraw/zinc/58/29/13/606582913.db2.gz HQPZPLLNGNLREE-GFCCVEGCSA-N -1 3 394.399 -0.516 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1 ZINC000822899372 606582912 /nfs/dbraw/zinc/58/29/12/606582912.db2.gz HQPZPLLNGNLREE-GFCCVEGCSA-N -1 3 394.399 -0.516 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000822899373 606582643 /nfs/dbraw/zinc/58/26/43/606582643.db2.gz HQPZPLLNGNLREE-LBPRGKRZSA-N -1 3 394.399 -0.516 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1 ZINC000822899373 606582641 /nfs/dbraw/zinc/58/26/41/606582641.db2.gz HQPZPLLNGNLREE-LBPRGKRZSA-N -1 3 394.399 -0.516 20 0 GBADHM NS(=O)(=O)c1cnn(CC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000822899524 607081794 /nfs/dbraw/zinc/08/17/94/607081794.db2.gz JTHHCFOQNDYEMB-UHFFFAOYSA-N -1 3 381.349 -0.407 20 0 GBADHM NS(=O)(=O)c1cnn(CC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000822899524 607081791 /nfs/dbraw/zinc/08/17/91/607081791.db2.gz JTHHCFOQNDYEMB-UHFFFAOYSA-N -1 3 381.349 -0.407 20 0 GBADHM NS(=O)(=O)c1ccccc1NC(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822899592 606233083 /nfs/dbraw/zinc/23/30/83/606233083.db2.gz LIXDBXPQJHMQIK-UHFFFAOYSA-N -1 3 391.369 -0.362 20 0 GBADHM NS(=O)(=O)c1ccccc1NC(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822899592 606233081 /nfs/dbraw/zinc/23/30/81/606233081.db2.gz LIXDBXPQJHMQIK-UHFFFAOYSA-N -1 3 391.369 -0.362 20 0 GBADHM NS(=O)(=O)c1ccc(NCCS(=O)(=O)CC2CC2)c(-c2nn[n-]n2)c1 ZINC000822899634 607040922 /nfs/dbraw/zinc/04/09/22/607040922.db2.gz MNAUOTRVDGSZCC-UHFFFAOYSA-N -1 3 386.459 -0.249 20 0 GBADHM NS(=O)(=O)c1ccc(NCCS(=O)(=O)CC2CC2)c(-c2nnn[n-]2)c1 ZINC000822899634 607040920 /nfs/dbraw/zinc/04/09/20/607040920.db2.gz MNAUOTRVDGSZCC-UHFFFAOYSA-N -1 3 386.459 -0.249 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCN(CCO)CC2)cc1 ZINC000822899635 606437732 /nfs/dbraw/zinc/43/77/32/606437732.db2.gz MNFUHRAZEGDLMD-UHFFFAOYSA-N -1 3 383.416 -0.615 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCN(CCO)CC2)cc1 ZINC000822899635 606437730 /nfs/dbraw/zinc/43/77/30/606437730.db2.gz MNFUHRAZEGDLMD-UHFFFAOYSA-N -1 3 383.416 -0.615 20 0 GBADHM NS(=O)(=O)c1cnn(CCC(=O)OCc2cc(F)ccc2-c2nn[n-]n2)c1 ZINC000822899666 607081537 /nfs/dbraw/zinc/08/15/37/607081537.db2.gz NZOBFQKHIKATFR-UHFFFAOYSA-N -1 3 395.376 -0.017 20 0 GBADHM NS(=O)(=O)c1cnn(CCC(=O)OCc2cc(F)ccc2-c2nnn[n-]2)c1 ZINC000822899666 607081535 /nfs/dbraw/zinc/08/15/35/607081535.db2.gz NZOBFQKHIKATFR-UHFFFAOYSA-N -1 3 395.376 -0.017 20 0 GBADHM Nc1n[nH]c(CCCNc2cc(N3CCC[C@H]3CO)ncn2)c1-c1nn[n-]n1 ZINC000822899679 606442129 /nfs/dbraw/zinc/44/21/29/606442129.db2.gz OQXAGCBBSPBBCZ-JTQLQIEISA-N -1 3 385.436 -0.032 20 0 GBADHM Nc1n[nH]c(CCCNc2cc(N3CCC[C@H]3CO)ncn2)c1-c1nnn[n-]1 ZINC000822899679 606442128 /nfs/dbraw/zinc/44/21/28/606442128.db2.gz OQXAGCBBSPBBCZ-JTQLQIEISA-N -1 3 385.436 -0.032 20 0 GBADHM Nc1n[nH]c(CCCNc2cc(N3CCC[C@@H]3CO)ncn2)c1-c1nn[n-]n1 ZINC000822899680 606442312 /nfs/dbraw/zinc/44/23/12/606442312.db2.gz OQXAGCBBSPBBCZ-SNVBAGLBSA-N -1 3 385.436 -0.032 20 0 GBADHM Nc1n[nH]c(CCCNc2cc(N3CCC[C@@H]3CO)ncn2)c1-c1nnn[n-]1 ZINC000822899680 606442310 /nfs/dbraw/zinc/44/23/10/606442310.db2.gz OQXAGCBBSPBBCZ-SNVBAGLBSA-N -1 3 385.436 -0.032 20 0 GBADHM NS(=O)(=O)c1cnn(CCC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822899700 606999138 /nfs/dbraw/zinc/99/91/38/606999138.db2.gz PHVVIQNPSRJZDN-UHFFFAOYSA-N -1 3 395.376 -0.017 20 0 GBADHM NS(=O)(=O)c1cnn(CCC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822899700 606999136 /nfs/dbraw/zinc/99/91/36/606999136.db2.gz PHVVIQNPSRJZDN-UHFFFAOYSA-N -1 3 395.376 -0.017 20 0 GBADHM NS(=O)(=O)c1ccc(NCCNC(=O)c2cccnc2)c(-c2nn[n-]n2)c1 ZINC000822899722 599475561 /nfs/dbraw/zinc/47/55/61/599475561.db2.gz PZODFRBMDLIVAI-UHFFFAOYSA-N -1 3 388.413 -0.249 20 0 GBADHM NS(=O)(=O)c1ccc(NCCNC(=O)c2cccnc2)c(-c2nnn[n-]2)c1 ZINC000822899722 599475560 /nfs/dbraw/zinc/47/55/60/599475560.db2.gz PZODFRBMDLIVAI-UHFFFAOYSA-N -1 3 388.413 -0.249 20 0 GBADHM NS(=O)(=O)c1ccc(NCC(=O)NCC(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000822899799 599498934 /nfs/dbraw/zinc/49/89/34/599498934.db2.gz SUBVSFKQPKNTRF-UHFFFAOYSA-N -1 3 379.324 -0.396 20 0 GBADHM NS(=O)(=O)c1ccc(NCC(=O)NCC(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000822899799 599498931 /nfs/dbraw/zinc/49/89/31/599498931.db2.gz SUBVSFKQPKNTRF-UHFFFAOYSA-N -1 3 379.324 -0.396 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000822899835 606954230 /nfs/dbraw/zinc/95/42/30/606954230.db2.gz VGQSVWYJYULHBP-GFCCVEGCSA-N -1 3 395.383 -0.089 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000822899835 606954228 /nfs/dbraw/zinc/95/42/28/606954228.db2.gz VGQSVWYJYULHBP-GFCCVEGCSA-N -1 3 395.383 -0.089 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000822899836 606954054 /nfs/dbraw/zinc/95/40/54/606954054.db2.gz VGQSVWYJYULHBP-LBPRGKRZSA-N -1 3 395.383 -0.089 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000822899836 606954052 /nfs/dbraw/zinc/95/40/52/606954052.db2.gz VGQSVWYJYULHBP-LBPRGKRZSA-N -1 3 395.383 -0.089 20 0 GBADHM NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822899892 606235692 /nfs/dbraw/zinc/23/56/92/606235692.db2.gz XOUXXAWOSMLZCG-UHFFFAOYSA-N -1 3 391.369 -0.362 20 0 GBADHM NS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822899892 606235691 /nfs/dbraw/zinc/23/56/91/606235691.db2.gz XOUXXAWOSMLZCG-UHFFFAOYSA-N -1 3 391.369 -0.362 20 0 GBADHM NS(=O)(=O)c1cnn(CC(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822899909 606998988 /nfs/dbraw/zinc/99/89/88/606998988.db2.gz YAKHDQJNXKNWEC-UHFFFAOYSA-N -1 3 381.349 -0.407 20 0 GBADHM NS(=O)(=O)c1cnn(CC(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822899909 606998987 /nfs/dbraw/zinc/99/89/87/606998987.db2.gz YAKHDQJNXKNWEC-UHFFFAOYSA-N -1 3 381.349 -0.407 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCc2nnnn2C2CC2)cc1 ZINC000822902384 599203000 /nfs/dbraw/zinc/20/30/00/599203000.db2.gz AHWSQVVCMBHUNW-UHFFFAOYSA-N -1 3 392.387 -0.114 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCc2nnnn2C2CC2)cc1 ZINC000822902384 599202998 /nfs/dbraw/zinc/20/29/98/599202998.db2.gz AHWSQVVCMBHUNW-UHFFFAOYSA-N -1 3 392.387 -0.114 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000822902669 607146957 /nfs/dbraw/zinc/14/69/57/607146957.db2.gz DJWODCGWHJVYTI-UHFFFAOYSA-N -1 3 397.403 -0.795 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cn(Cc2ccccn2)nn1 ZINC000822902928 599622581 /nfs/dbraw/zinc/62/25/81/599622581.db2.gz FIVXIUHKHXOTHJ-UHFFFAOYSA-N -1 3 381.360 -0.463 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cn(Cc2ccccn2)nn1 ZINC000822902928 599622580 /nfs/dbraw/zinc/62/25/80/599622580.db2.gz FIVXIUHKHXOTHJ-UHFFFAOYSA-N -1 3 381.360 -0.463 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)CCCNC(=O)c1cccnc1 ZINC000822902960 607445282 /nfs/dbraw/zinc/44/52/82/607445282.db2.gz FTHWPXSPTFJVTR-UHFFFAOYSA-N -1 3 385.388 -0.206 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)CCCNC(=O)c1cccnc1 ZINC000822902960 607445280 /nfs/dbraw/zinc/44/52/80/607445280.db2.gz FTHWPXSPTFJVTR-UHFFFAOYSA-N -1 3 385.388 -0.206 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000822903786 946212970 /nfs/dbraw/zinc/21/29/70/946212970.db2.gz OMRYNTCZUBOWHC-UHFFFAOYSA-N -1 3 384.404 -0.021 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)OCCCS(N)(=O)=O)cc1 ZINC000822903944 599658241 /nfs/dbraw/zinc/65/82/41/599658241.db2.gz QNCLHLGHLKSKJF-UHFFFAOYSA-N -1 3 392.401 -0.530 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)OCCCS(N)(=O)=O)cc1 ZINC000822903944 599658240 /nfs/dbraw/zinc/65/82/40/599658240.db2.gz QNCLHLGHLKSKJF-UHFFFAOYSA-N -1 3 392.401 -0.530 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000822904170 607147265 /nfs/dbraw/zinc/14/72/65/607147265.db2.gz TVYHBNGREVMBPG-UHFFFAOYSA-N -1 3 396.415 -0.190 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000822904170 607147263 /nfs/dbraw/zinc/14/72/63/607147263.db2.gz TVYHBNGREVMBPG-UHFFFAOYSA-N -1 3 396.415 -0.190 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)C1CCN(c2cnccn2)CC1 ZINC000822904209 946216593 /nfs/dbraw/zinc/21/65/93/946216593.db2.gz UGLLKDJHAKSBRL-UHFFFAOYSA-N -1 3 384.404 -0.105 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)C1CCN(c2cnccn2)CC1 ZINC000822904209 946216584 /nfs/dbraw/zinc/21/65/84/946216584.db2.gz UGLLKDJHAKSBRL-UHFFFAOYSA-N -1 3 384.404 -0.105 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCC2(O)CCOCC2)cc1 ZINC000822904388 946216133 /nfs/dbraw/zinc/21/61/33/946216133.db2.gz XEXFYSGSSYUOQQ-UHFFFAOYSA-N -1 3 384.400 -0.094 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCC2(O)CCOCC2)cc1 ZINC000822904388 946216122 /nfs/dbraw/zinc/21/61/22/946216122.db2.gz XEXFYSGSSYUOQQ-UHFFFAOYSA-N -1 3 384.400 -0.094 20 0 GBADHM Nc1ncnc2c1ncn2CC(=O)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822907243 606149356 /nfs/dbraw/zinc/14/93/56/606149356.db2.gz DAKDZRRDIQQPEW-UHFFFAOYSA-N -1 3 394.355 -0.230 20 0 GBADHM Nc1ncnc2c1ncn2CC(=O)OCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822907243 606149355 /nfs/dbraw/zinc/14/93/55/606149355.db2.gz DAKDZRRDIQQPEW-UHFFFAOYSA-N -1 3 394.355 -0.230 20 0 GBADHM Nc1ncnc2c1ncn2CC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822907372 606149391 /nfs/dbraw/zinc/14/93/91/606149391.db2.gz JSRTXAOBVICCRS-UHFFFAOYSA-N -1 3 394.355 -0.230 20 0 GBADHM Nc1ncnc2c1ncn2CC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822907372 606149389 /nfs/dbraw/zinc/14/93/89/606149389.db2.gz JSRTXAOBVICCRS-UHFFFAOYSA-N -1 3 394.355 -0.230 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCc2nccc(N)n2)cc1 ZINC000822907453 607324862 /nfs/dbraw/zinc/32/48/62/607324862.db2.gz NLEONVDPVOJXLC-UHFFFAOYSA-N -1 3 377.372 -0.063 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCc2nccc(N)n2)cc1 ZINC000822907453 607324861 /nfs/dbraw/zinc/32/48/61/607324861.db2.gz NLEONVDPVOJXLC-UHFFFAOYSA-N -1 3 377.372 -0.063 20 0 GBADHM Nc1nc(N)nc(SCCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822907488 606308023 /nfs/dbraw/zinc/30/80/23/606308023.db2.gz OZEWZPSFSOFOAD-UHFFFAOYSA-N -1 3 379.431 -0.218 20 0 GBADHM 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396.404 -0.482 20 0 GBADHM O=C(CS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)NCC(=O)N1CCCC1 ZINC000823055164 599119599 /nfs/dbraw/zinc/11/95/99/599119599.db2.gz JNVWPCXLLAVIAY-UHFFFAOYSA-N -1 3 396.404 -0.482 20 0 GBADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OCC(=O)N1CCC1 ZINC000823055185 606130670 /nfs/dbraw/zinc/13/06/70/606130670.db2.gz KGZCRKCTOURFSP-UHFFFAOYSA-N -1 3 379.398 -0.443 20 0 GBADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)OCC(=O)N1CCC1 ZINC000823055185 606130668 /nfs/dbraw/zinc/13/06/68/606130668.db2.gz KGZCRKCTOURFSP-UHFFFAOYSA-N -1 3 379.398 -0.443 20 0 GBADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OC[C@@H]1COC(=O)O1 ZINC000823055418 606947119 /nfs/dbraw/zinc/94/71/19/606947119.db2.gz PISDHCCESWPQAB-LLVKDONJSA-N -1 3 382.354 -0.140 20 0 GBADHM O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)OC[C@@H]1COC(=O)O1 ZINC000823055418 606947118 /nfs/dbraw/zinc/94/71/18/606947118.db2.gz PISDHCCESWPQAB-LLVKDONJSA-N -1 3 382.354 -0.140 20 0 GBADHM O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)OC[C@H]1COC(=O)O1 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-1 3 397.443 -0.132 20 0 GBADHM O=C(Cc1ccc(NC[C@H]2CNc3c(-c4nnn[n-]4)cnn3C2)cc1)NCCO ZINC000823082856 607315165 /nfs/dbraw/zinc/31/51/65/607315165.db2.gz UBVRKXXXNLQGRM-ZDUSSCGKSA-N -1 3 397.443 -0.132 20 0 GBADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000823086987 606521521 /nfs/dbraw/zinc/52/15/21/606521521.db2.gz BFRATSQFAUNTSW-UHFFFAOYSA-N -1 3 399.455 -0.588 20 0 GBADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000823086987 606521520 /nfs/dbraw/zinc/52/15/20/606521520.db2.gz BFRATSQFAUNTSW-UHFFFAOYSA-N -1 3 399.455 -0.588 20 0 GBADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000823087079 606520637 /nfs/dbraw/zinc/52/06/37/606520637.db2.gz FSEFSVLGBUKXAK-UHFFFAOYSA-N -1 3 399.455 -0.588 20 0 GBADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000823087079 606520635 /nfs/dbraw/zinc/52/06/35/606520635.db2.gz FSEFSVLGBUKXAK-UHFFFAOYSA-N -1 3 399.455 -0.588 20 0 GBADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000823087167 606528391 /nfs/dbraw/zinc/52/83/91/606528391.db2.gz IRJFCVALWYSQSI-UHFFFAOYSA-N -1 3 397.439 -0.298 20 0 GBADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000823087167 606528389 /nfs/dbraw/zinc/52/83/89/606528389.db2.gz IRJFCVALWYSQSI-UHFFFAOYSA-N -1 3 397.439 -0.298 20 0 GBADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000823087248 606520733 /nfs/dbraw/zinc/52/07/33/606520733.db2.gz LXIQCSMJVOKYHM-HNNXBMFYSA-N -1 3 390.469 -0.260 20 0 GBADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000823087248 606520732 /nfs/dbraw/zinc/52/07/32/606520732.db2.gz LXIQCSMJVOKYHM-HNNXBMFYSA-N -1 3 390.469 -0.260 20 0 GBADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000823087249 606520190 /nfs/dbraw/zinc/52/01/90/606520190.db2.gz LXIQCSMJVOKYHM-OAHLLOKOSA-N -1 3 390.469 -0.260 20 0 GBADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000823087249 606520188 /nfs/dbraw/zinc/52/01/88/606520188.db2.gz 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O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCNS(=O)(=O)c1cccnc1 ZINC000823097799 607503109 /nfs/dbraw/zinc/50/31/09/607503109.db2.gz BWMGLYUTBONTPS-UHFFFAOYSA-N -1 3 387.425 -0.101 20 0 GBADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCNS(=O)(=O)Cc1ccon1 ZINC000823098045 606117476 /nfs/dbraw/zinc/11/74/76/606117476.db2.gz IRIBWJZUZMCLPJ-UHFFFAOYSA-N -1 3 391.413 -0.367 20 0 GBADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCNS(=O)(=O)Cc1ccon1 ZINC000823098045 606117475 /nfs/dbraw/zinc/11/74/75/606117475.db2.gz IRIBWJZUZMCLPJ-UHFFFAOYSA-N -1 3 391.413 -0.367 20 0 GBADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCS(=O)(=O)N1CCSCC1 ZINC000823098458 606555614 /nfs/dbraw/zinc/55/56/14/606555614.db2.gz MZVBLJRJHPMYDV-UHFFFAOYSA-N -1 3 396.498 -0.096 20 0 GBADHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NCCS(=O)(=O)N1CCSCC1 ZINC000823098458 606555613 /nfs/dbraw/zinc/55/56/13/606555613.db2.gz MZVBLJRJHPMYDV-UHFFFAOYSA-N -1 3 396.498 -0.096 20 0 GBADHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NCCS(=O)(=O)N1CCOCC1 ZINC000823098820 606541667 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C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824040703 609188893 /nfs/dbraw/zinc/18/88/93/609188893.db2.gz UGXIIZFLGJILGU-WBMJQRKESA-N -1 3 399.455 -0.289 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)CC(=O)N1CCN(C)CC1 ZINC000824045063 946566643 /nfs/dbraw/zinc/56/66/43/946566643.db2.gz FMFPPXGBOQZCRY-CYBMUJFWSA-N -1 3 386.460 -0.101 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N(C)CC(=O)N1CCN(C)CC1 ZINC000824045064 946567438 /nfs/dbraw/zinc/56/74/38/946567438.db2.gz FMFPPXGBOQZCRY-ZDUSSCGKSA-N -1 3 386.460 -0.101 20 0 GBADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN(C(=O)CO)CC1 ZINC000824045081 608002582 /nfs/dbraw/zinc/00/25/82/608002582.db2.gz FTHMYKWSOWPVPJ-JTQLQIEISA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN(C(=O)CO)CC1 ZINC000824045081 608002581 /nfs/dbraw/zinc/00/25/81/608002581.db2.gz FTHMYKWSOWPVPJ-JTQLQIEISA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CCN(C(=O)CO)CC1 ZINC000824045082 608002703 /nfs/dbraw/zinc/00/27/03/608002703.db2.gz FTHMYKWSOWPVPJ-SNVBAGLBSA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCN(C(=O)CO)CC1 ZINC000824045082 608002702 /nfs/dbraw/zinc/00/27/02/608002702.db2.gz FTHMYKWSOWPVPJ-SNVBAGLBSA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N(C)CC(=O)N1CCN(C)CC1 ZINC000824045582 946567172 /nfs/dbraw/zinc/56/71/72/946567172.db2.gz MRDSJSOEESNPES-CYBMUJFWSA-N -1 3 386.460 -0.101 20 0 GBADHM C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N(C)CC(=O)N1CCN(C)CC1 ZINC000824045582 946567152 /nfs/dbraw/zinc/56/71/52/946567152.db2.gz MRDSJSOEESNPES-CYBMUJFWSA-N -1 3 386.460 -0.101 20 0 GBADHM C[C@@H](C(=O)Nc1ccccc1-c1nn[n-]n1)N(C)CC(=O)N1CCN(C)CC1 ZINC000824045583 946566331 /nfs/dbraw/zinc/56/63/31/946566331.db2.gz MRDSJSOEESNPES-ZDUSSCGKSA-N -1 3 386.460 -0.101 20 0 GBADHM C[C@@H](C(=O)Nc1ccccc1-c1nnn[n-]1)N(C)CC(=O)N1CCN(C)CC1 ZINC000824045583 946566321 /nfs/dbraw/zinc/56/63/21/946566321.db2.gz MRDSJSOEESNPES-ZDUSSCGKSA-N -1 3 386.460 -0.101 20 0 GBADHM C[C@@H](C(N)=O)N(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824053429 609203961 /nfs/dbraw/zinc/20/39/61/609203961.db2.gz YHEJXHVOYJUVOH-GWCFXTLKSA-N -1 3 386.416 -0.123 20 0 GBADHM C[C@@H](C(N)=O)N(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824053429 609203960 /nfs/dbraw/zinc/20/39/60/609203960.db2.gz YHEJXHVOYJUVOH-GWCFXTLKSA-N -1 3 386.416 -0.123 20 0 GBADHM C[C@@H](C(N)=O)N(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824053434 609203528 /nfs/dbraw/zinc/20/35/28/609203528.db2.gz YHEJXHVOYJUVOH-GXFFZTMASA-N -1 3 386.416 -0.123 20 0 GBADHM C[C@@H](C(N)=O)N(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824053434 609203527 /nfs/dbraw/zinc/20/35/27/609203527.db2.gz YHEJXHVOYJUVOH-GXFFZTMASA-N -1 3 386.416 -0.123 20 0 GBADHM C[C@H](C(N)=O)N(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824053436 609203537 /nfs/dbraw/zinc/20/35/37/609203537.db2.gz YHEJXHVOYJUVOH-MFKMUULPSA-N -1 3 386.416 -0.123 20 0 GBADHM C[C@H](C(N)=O)N(C)C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824053436 609203536 /nfs/dbraw/zinc/20/35/36/609203536.db2.gz YHEJXHVOYJUVOH-MFKMUULPSA-N -1 3 386.416 -0.123 20 0 GBADHM C[C@H](C(N)=O)N(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824053438 609203555 /nfs/dbraw/zinc/20/35/55/609203555.db2.gz YHEJXHVOYJUVOH-ZWNOBZJWSA-N -1 3 386.416 -0.123 20 0 GBADHM C[C@H](C(N)=O)N(C)C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824053438 609203554 /nfs/dbraw/zinc/20/35/54/609203554.db2.gz YHEJXHVOYJUVOH-ZWNOBZJWSA-N -1 3 386.416 -0.123 20 0 GBADHM CC(C)[C@H](C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1)N(C)C ZINC000824054511 603939172 /nfs/dbraw/zinc/93/91/72/603939172.db2.gz ABALFUBXNDHXSC-CYBMUJFWSA-N -1 3 376.479 -0.591 20 0 GBADHM CC(C)[C@@H](C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1)N(C)C ZINC000824054523 605671438 /nfs/dbraw/zinc/67/14/38/605671438.db2.gz ABALFUBXNDHXSC-ZDUSSCGKSA-N -1 3 376.479 -0.591 20 0 GBADHM 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CC(C)OC(=O)CNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824309379 608079112 /nfs/dbraw/zinc/07/91/12/608079112.db2.gz LTWPTXPJJJVQHT-UHFFFAOYSA-N -1 3 382.402 -0.787 20 0 GBADHM CC(C)OC(=O)CNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824309379 608079111 /nfs/dbraw/zinc/07/91/11/608079111.db2.gz LTWPTXPJJJVQHT-UHFFFAOYSA-N -1 3 382.402 -0.787 20 0 GBADHM CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC000824314766 607746254 /nfs/dbraw/zinc/74/62/54/607746254.db2.gz FWIKVYDQAIYQGK-UHFFFAOYSA-N -1 3 397.461 -0.293 20 0 GBADHM CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC000824314766 607746253 /nfs/dbraw/zinc/74/62/53/607746253.db2.gz FWIKVYDQAIYQGK-UHFFFAOYSA-N -1 3 397.461 -0.293 20 0 GBADHM CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC000824315699 609220371 /nfs/dbraw/zinc/22/03/71/609220371.db2.gz VFFBOEFSRSCVBU-UHFFFAOYSA-N -1 3 397.461 -0.293 20 0 GBADHM CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC000824315699 609220369 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GBADHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@]1(O)CCOC1 ZINC000824319571 607860560 /nfs/dbraw/zinc/86/05/60/607860560.db2.gz UWJNZDRQMVUAES-QGZVFWFLSA-N -1 3 390.400 -0.140 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cc1-c1nn[n-]n1 ZINC000824324539 607860367 /nfs/dbraw/zinc/86/03/67/607860367.db2.gz OXDLRLRNBUYDBM-KRWDZBQOSA-N -1 3 390.400 -0.140 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCOC2)cc1-c1nnn[n-]1 ZINC000824324539 607860366 /nfs/dbraw/zinc/86/03/66/607860366.db2.gz OXDLRLRNBUYDBM-KRWDZBQOSA-N -1 3 390.400 -0.140 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cc1-c1nn[n-]n1 ZINC000824324540 607860544 /nfs/dbraw/zinc/86/05/44/607860544.db2.gz OXDLRLRNBUYDBM-QGZVFWFLSA-N -1 3 390.400 -0.140 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)NC[C@]2(O)CCOC2)cc1-c1nnn[n-]1 ZINC000824324540 607860543 /nfs/dbraw/zinc/86/05/43/607860543.db2.gz OXDLRLRNBUYDBM-QGZVFWFLSA-N -1 3 390.400 -0.140 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)NCCn2ncnn2)cc1-c1nn[n-]n1 ZINC000824324651 608360703 /nfs/dbraw/zinc/36/07/03/608360703.db2.gz SZRJLHUGRFKFFI-UHFFFAOYSA-N -1 3 386.376 -0.605 20 0 GBADHM CC(C)Oc1ccc(NC(=O)C(=O)NCCn2ncnn2)cc1-c1nnn[n-]1 ZINC000824324651 608360701 /nfs/dbraw/zinc/36/07/01/608360701.db2.gz SZRJLHUGRFKFFI-UHFFFAOYSA-N -1 3 386.376 -0.605 20 0 GBADHM C[C@@H](CC(N)=O)NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824394300 609201905 /nfs/dbraw/zinc/20/19/05/609201905.db2.gz XCNTVKVUIVBKPO-GWCFXTLKSA-N -1 3 386.416 -0.075 20 0 GBADHM C[C@@H](CC(N)=O)NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824394300 609201903 /nfs/dbraw/zinc/20/19/03/609201903.db2.gz XCNTVKVUIVBKPO-GWCFXTLKSA-N -1 3 386.416 -0.075 20 0 GBADHM C[C@@H](CC(N)=O)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824394301 609201829 /nfs/dbraw/zinc/20/18/29/609201829.db2.gz XCNTVKVUIVBKPO-GXFFZTMASA-N -1 3 386.416 -0.075 20 0 GBADHM C[C@@H](CC(N)=O)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824394301 609201828 /nfs/dbraw/zinc/20/18/28/609201828.db2.gz XCNTVKVUIVBKPO-GXFFZTMASA-N -1 3 386.416 -0.075 20 0 GBADHM C[C@H](CC(N)=O)NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824394302 609201780 /nfs/dbraw/zinc/20/17/80/609201780.db2.gz XCNTVKVUIVBKPO-MFKMUULPSA-N -1 3 386.416 -0.075 20 0 GBADHM C[C@H](CC(N)=O)NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824394302 609201779 /nfs/dbraw/zinc/20/17/79/609201779.db2.gz XCNTVKVUIVBKPO-MFKMUULPSA-N -1 3 386.416 -0.075 20 0 GBADHM C[C@H](CC(N)=O)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824394303 609201792 /nfs/dbraw/zinc/20/17/92/609201792.db2.gz XCNTVKVUIVBKPO-ZWNOBZJWSA-N -1 3 386.416 -0.075 20 0 GBADHM C[C@H](CC(N)=O)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824394303 609201791 /nfs/dbraw/zinc/20/17/91/609201791.db2.gz XCNTVKVUIVBKPO-ZWNOBZJWSA-N -1 3 386.416 -0.075 20 0 GBADHM C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824413849 607609940 /nfs/dbraw/zinc/60/99/40/607609940.db2.gz QSUPTDYESVSPKM-LLVKDONJSA-N -1 3 383.453 -0.080 20 0 GBADHM C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000824413850 607610068 /nfs/dbraw/zinc/61/00/68/607610068.db2.gz QSUPTDYESVSPKM-NSHDSACASA-N -1 3 383.453 -0.080 20 0 GBADHM C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824413884 607609745 /nfs/dbraw/zinc/60/97/45/607609745.db2.gz RKLQYXRKCPTWGJ-LLVKDONJSA-N -1 3 383.453 -0.080 20 0 GBADHM C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824413885 607610102 /nfs/dbraw/zinc/61/01/02/607610102.db2.gz RKLQYXRKCPTWGJ-NSHDSACASA-N -1 3 383.453 -0.080 20 0 GBADHM C[C@H](CN1CCOCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824414315 608556360 /nfs/dbraw/zinc/55/63/60/608556360.db2.gz ZGPITBWSKOVMAM-LLVKDONJSA-N -1 3 377.453 -0.469 20 0 GBADHM C[C@@H](CN1CCOCC1)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824414316 608556039 /nfs/dbraw/zinc/55/60/39/608556039.db2.gz ZGPITBWSKOVMAM-NSHDSACASA-N -1 3 377.453 -0.469 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)S(N)(=O)=O ZINC000824420492 608564491 /nfs/dbraw/zinc/56/44/91/608564491.db2.gz LMLIODRXKRIGOA-GWCFXTLKSA-N -1 3 379.446 -0.371 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)S(N)(=O)=O ZINC000824420493 608564648 /nfs/dbraw/zinc/56/46/48/608564648.db2.gz LMLIODRXKRIGOA-GXFFZTMASA-N -1 3 379.446 -0.371 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)S(N)(=O)=O ZINC000824420494 608564310 /nfs/dbraw/zinc/56/43/10/608564310.db2.gz LMLIODRXKRIGOA-MFKMUULPSA-N -1 3 379.446 -0.371 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)S(N)(=O)=O ZINC000824420495 608564548 /nfs/dbraw/zinc/56/45/48/608564548.db2.gz LMLIODRXKRIGOA-ZWNOBZJWSA-N -1 3 379.446 -0.371 20 0 GBADHM C[C@H](CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)S(C)(=O)=O ZINC000824420688 607823199 /nfs/dbraw/zinc/82/31/99/607823199.db2.gz NXXDUDFNZUFACL-LLVKDONJSA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@H](CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)S(C)(=O)=O ZINC000824420688 607823198 /nfs/dbraw/zinc/82/31/98/607823198.db2.gz NXXDUDFNZUFACL-LLVKDONJSA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)S(C)(=O)=O ZINC000824420689 607823321 /nfs/dbraw/zinc/82/33/21/607823321.db2.gz NXXDUDFNZUFACL-NSHDSACASA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)S(C)(=O)=O ZINC000824420689 607823320 /nfs/dbraw/zinc/82/33/20/607823320.db2.gz NXXDUDFNZUFACL-NSHDSACASA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@H](CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC000824420983 607823145 /nfs/dbraw/zinc/82/31/45/607823145.db2.gz RQRVMADJCXNHJB-LLVKDONJSA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@H](CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC000824420983 607823144 /nfs/dbraw/zinc/82/31/44/607823144.db2.gz RQRVMADJCXNHJB-LLVKDONJSA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC000824420984 607823148 /nfs/dbraw/zinc/82/31/48/607823148.db2.gz RQRVMADJCXNHJB-NSHDSACASA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC000824420984 607823147 /nfs/dbraw/zinc/82/31/47/607823147.db2.gz RQRVMADJCXNHJB-NSHDSACASA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)S(N)(=O)=O ZINC000824421345 608564544 /nfs/dbraw/zinc/56/45/44/608564544.db2.gz SKARKVHDPNWHRK-JTQLQIEISA-N -1 3 395.445 -0.231 20 0 GBADHM C[C@@H](CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)S(N)(=O)=O ZINC000824421345 608564543 /nfs/dbraw/zinc/56/45/43/608564543.db2.gz SKARKVHDPNWHRK-JTQLQIEISA-N -1 3 395.445 -0.231 20 0 GBADHM C[C@H](CNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)S(N)(=O)=O ZINC000824421346 608564284 /nfs/dbraw/zinc/56/42/84/608564284.db2.gz SKARKVHDPNWHRK-SNVBAGLBSA-N -1 3 395.445 -0.231 20 0 GBADHM C[C@H](CNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)S(N)(=O)=O ZINC000824421346 608564282 /nfs/dbraw/zinc/56/42/82/608564282.db2.gz SKARKVHDPNWHRK-SNVBAGLBSA-N -1 3 395.445 -0.231 20 0 GBADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)S(N)(=O)=O ZINC000824421800 609417967 /nfs/dbraw/zinc/41/79/67/609417967.db2.gz VNZSHRSXWIMZMS-LURJTMIESA-N -1 3 387.809 -0.748 20 0 GBADHM C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)S(N)(=O)=O ZINC000824421800 609417966 /nfs/dbraw/zinc/41/79/66/609417966.db2.gz VNZSHRSXWIMZMS-LURJTMIESA-N -1 3 387.809 -0.748 20 0 GBADHM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)S(N)(=O)=O ZINC000824421803 609417774 /nfs/dbraw/zinc/41/77/74/609417774.db2.gz VNZSHRSXWIMZMS-ZCFIWIBFSA-N -1 3 387.809 -0.748 20 0 GBADHM C[C@H](CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)S(N)(=O)=O ZINC000824421803 609417773 /nfs/dbraw/zinc/41/77/73/609417773.db2.gz VNZSHRSXWIMZMS-ZCFIWIBFSA-N -1 3 387.809 -0.748 20 0 GBADHM C[C@H](CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000824422147 607823356 /nfs/dbraw/zinc/82/33/56/607823356.db2.gz XQQWGZYPCRCGPS-LLVKDONJSA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@H](CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000824422147 607823355 /nfs/dbraw/zinc/82/33/55/607823355.db2.gz XQQWGZYPCRCGPS-LLVKDONJSA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC000824422148 607823190 /nfs/dbraw/zinc/82/31/90/607823190.db2.gz XQQWGZYPCRCGPS-NSHDSACASA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@@H](CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC000824422148 607823189 /nfs/dbraw/zinc/82/31/89/607823189.db2.gz XQQWGZYPCRCGPS-NSHDSACASA-N -1 3 394.461 -0.474 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)S(C)(=O)=O ZINC000824426179 607826278 /nfs/dbraw/zinc/82/62/78/607826278.db2.gz BGJFVTOCGSJEEZ-SECBINFHSA-N -1 3 390.429 -0.203 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)S(C)(=O)=O ZINC000824426179 607826277 /nfs/dbraw/zinc/82/62/77/607826277.db2.gz BGJFVTOCGSJEEZ-SECBINFHSA-N -1 3 390.429 -0.203 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)S(C)(=O)=O ZINC000824426180 607826174 /nfs/dbraw/zinc/82/61/74/607826174.db2.gz BGJFVTOCGSJEEZ-VIFPVBQESA-N -1 3 390.429 -0.203 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)S(C)(=O)=O ZINC000824426180 607826173 /nfs/dbraw/zinc/82/61/73/607826173.db2.gz BGJFVTOCGSJEEZ-VIFPVBQESA-N -1 3 390.429 -0.203 20 0 GBADHM C[C@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)N1CCN(C)CC1 ZINC000824426227 607640802 /nfs/dbraw/zinc/64/08/02/607640802.db2.gz CACRGOVVRPGRJN-LLVKDONJSA-N -1 3 383.453 -0.080 20 0 GBADHM C[C@@H](CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1)N1CCN(C)CC1 ZINC000824426228 607640704 /nfs/dbraw/zinc/64/07/04/607640704.db2.gz CACRGOVVRPGRJN-NSHDSACASA-N -1 3 383.453 -0.080 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)S(N)(=O)=O ZINC000824426290 608566113 /nfs/dbraw/zinc/56/61/13/608566113.db2.gz CUXSCEGJSJAWOH-MRVPVSSYSA-N -1 3 391.417 -0.959 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)S(N)(=O)=O ZINC000824426290 608566111 /nfs/dbraw/zinc/56/61/11/608566111.db2.gz CUXSCEGJSJAWOH-MRVPVSSYSA-N -1 3 391.417 -0.959 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)S(N)(=O)=O ZINC000824426295 608566412 /nfs/dbraw/zinc/56/64/12/608566412.db2.gz CUXSCEGJSJAWOH-QMMMGPOBSA-N -1 3 391.417 -0.959 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)S(N)(=O)=O ZINC000824426295 608566410 /nfs/dbraw/zinc/56/64/10/608566410.db2.gz CUXSCEGJSJAWOH-QMMMGPOBSA-N -1 3 391.417 -0.959 20 0 GBADHM C[C@H](CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)S(C)(=O)=O ZINC000824427793 608340470 /nfs/dbraw/zinc/34/04/70/608340470.db2.gz OYDOYWXHKLZCKL-MRVPVSSYSA-N -1 3 377.423 -0.142 20 0 GBADHM C[C@@H](CNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)S(C)(=O)=O ZINC000824427794 608340284 /nfs/dbraw/zinc/34/02/84/608340284.db2.gz OYDOYWXHKLZCKL-QMMMGPOBSA-N -1 3 377.423 -0.142 20 0 GBADHM C[C@@H](C[S@@](C)=O)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000824447929 608130255 /nfs/dbraw/zinc/13/02/55/608130255.db2.gz DRDQLNHVDKQCIO-KPHLJTLVSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@@H](C[S@@](C)=O)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000824447929 608130254 /nfs/dbraw/zinc/13/02/54/608130254.db2.gz DRDQLNHVDKQCIO-KPHLJTLVSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000824447930 608130271 /nfs/dbraw/zinc/13/02/71/608130271.db2.gz DRDQLNHVDKQCIO-LJZMDLFKSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000824447930 608130270 /nfs/dbraw/zinc/13/02/70/608130270.db2.gz DRDQLNHVDKQCIO-LJZMDLFKSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](C[S@](C)=O)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000824447931 608130187 /nfs/dbraw/zinc/13/01/87/608130187.db2.gz DRDQLNHVDKQCIO-QYOLQKOISA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](C[S@](C)=O)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000824447931 608130186 /nfs/dbraw/zinc/13/01/86/608130186.db2.gz DRDQLNHVDKQCIO-QYOLQKOISA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000824447932 608130193 /nfs/dbraw/zinc/13/01/93/608130193.db2.gz DRDQLNHVDKQCIO-RPHGYIDUSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000824447932 608130192 /nfs/dbraw/zinc/13/01/92/608130192.db2.gz DRDQLNHVDKQCIO-RPHGYIDUSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@@H](C[S@@](C)=O)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824448112 608130099 /nfs/dbraw/zinc/13/00/99/608130099.db2.gz FXBKDTOIRWRNSW-KPHLJTLVSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@@H](C[S@@](C)=O)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824448112 608130098 /nfs/dbraw/zinc/13/00/98/608130098.db2.gz FXBKDTOIRWRNSW-KPHLJTLVSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824448113 608130135 /nfs/dbraw/zinc/13/01/35/608130135.db2.gz FXBKDTOIRWRNSW-LJZMDLFKSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824448113 608130134 /nfs/dbraw/zinc/13/01/34/608130134.db2.gz FXBKDTOIRWRNSW-LJZMDLFKSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](C[S@](C)=O)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824448114 608130225 /nfs/dbraw/zinc/13/02/25/608130225.db2.gz FXBKDTOIRWRNSW-QYOLQKOISA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](C[S@](C)=O)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824448114 608130224 /nfs/dbraw/zinc/13/02/24/608130224.db2.gz FXBKDTOIRWRNSW-QYOLQKOISA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000824448115 608130091 /nfs/dbraw/zinc/13/00/91/608130091.db2.gz FXBKDTOIRWRNSW-RPHGYIDUSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000824448115 608130090 /nfs/dbraw/zinc/13/00/90/608130090.db2.gz FXBKDTOIRWRNSW-RPHGYIDUSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@@H](C[S@@](C)=O)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000824448487 608130199 /nfs/dbraw/zinc/13/01/99/608130199.db2.gz IMPPOVSDEVSOCT-KPHLJTLVSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@@H](C[S@@](C)=O)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000824448487 608130198 /nfs/dbraw/zinc/13/01/98/608130198.db2.gz IMPPOVSDEVSOCT-KPHLJTLVSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000824448488 608130306 /nfs/dbraw/zinc/13/03/06/608130306.db2.gz IMPPOVSDEVSOCT-LJZMDLFKSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@@H](C[S@](C)=O)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000824448488 608130305 /nfs/dbraw/zinc/13/03/05/608130305.db2.gz IMPPOVSDEVSOCT-LJZMDLFKSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](C[S@](C)=O)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000824448489 608130297 /nfs/dbraw/zinc/13/02/97/608130297.db2.gz IMPPOVSDEVSOCT-QYOLQKOISA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](C[S@](C)=O)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000824448489 608130296 /nfs/dbraw/zinc/13/02/96/608130296.db2.gz IMPPOVSDEVSOCT-QYOLQKOISA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000824448490 608130338 /nfs/dbraw/zinc/13/03/38/608130338.db2.gz IMPPOVSDEVSOCT-RPHGYIDUSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](C[S@@](C)=O)NC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000824448490 608130337 /nfs/dbraw/zinc/13/03/37/608130337.db2.gz IMPPOVSDEVSOCT-RPHGYIDUSA-N -1 3 378.462 -0.140 20 0 GBADHM C[C@H](CS(C)(=O)=O)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824449931 608340416 /nfs/dbraw/zinc/34/04/16/608340416.db2.gz QYMXKSFILZOKPZ-MRVPVSSYSA-N -1 3 377.423 -0.142 20 0 GBADHM C[C@H](CS(C)(=O)=O)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824449931 608340414 /nfs/dbraw/zinc/34/04/14/608340414.db2.gz QYMXKSFILZOKPZ-MRVPVSSYSA-N -1 3 377.423 -0.142 20 0 GBADHM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000824449932 608340304 /nfs/dbraw/zinc/34/03/04/608340304.db2.gz QYMXKSFILZOKPZ-QMMMGPOBSA-N -1 3 377.423 -0.142 20 0 GBADHM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000824449932 608340302 /nfs/dbraw/zinc/34/03/02/608340302.db2.gz QYMXKSFILZOKPZ-QMMMGPOBSA-N -1 3 377.423 -0.142 20 0 GBADHM C[C@@H](NC(=O)COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C ZINC000824478208 609634649 /nfs/dbraw/zinc/63/46/49/609634649.db2.gz FVZIZYZZIBWUHI-NOZJJQNGSA-N -1 3 376.373 -0.964 20 0 GBADHM C[C@@H](NC(=O)COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C ZINC000824478208 609634648 /nfs/dbraw/zinc/63/46/48/609634648.db2.gz FVZIZYZZIBWUHI-NOZJJQNGSA-N -1 3 376.373 -0.964 20 0 GBADHM C[C@@H](NC(=O)COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C ZINC000824478209 609634570 /nfs/dbraw/zinc/63/45/70/609634570.db2.gz FVZIZYZZIBWUHI-RNCFNFMXSA-N -1 3 376.373 -0.964 20 0 GBADHM C[C@@H](NC(=O)COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C ZINC000824478209 609634568 /nfs/dbraw/zinc/63/45/68/609634568.db2.gz FVZIZYZZIBWUHI-RNCFNFMXSA-N -1 3 376.373 -0.964 20 0 GBADHM C[C@H](NC(=O)COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C ZINC000824478210 609634658 /nfs/dbraw/zinc/63/46/58/609634658.db2.gz FVZIZYZZIBWUHI-TVQRCGJNSA-N -1 3 376.373 -0.964 20 0 GBADHM C[C@H](NC(=O)COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C ZINC000824478210 609634657 /nfs/dbraw/zinc/63/46/57/609634657.db2.gz FVZIZYZZIBWUHI-TVQRCGJNSA-N -1 3 376.373 -0.964 20 0 GBADHM C[C@H](NC(=O)COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)C ZINC000824478213 609634691 /nfs/dbraw/zinc/63/46/91/609634691.db2.gz FVZIZYZZIBWUHI-ZANVPECISA-N -1 3 376.373 -0.964 20 0 GBADHM C[C@H](NC(=O)COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)C ZINC000824478213 609634690 /nfs/dbraw/zinc/63/46/90/609634690.db2.gz FVZIZYZZIBWUHI-ZANVPECISA-N -1 3 376.373 -0.964 20 0 GBADHM C[C@@H](NC(=O)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)C(=O)N(C)C ZINC000824479175 608069498 /nfs/dbraw/zinc/06/94/98/608069498.db2.gz MEFLWOVXKZHGJC-DOMZBBRYSA-N -1 3 387.444 -0.167 20 0 GBADHM C[C@@H](NC(=O)CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)C(=O)N(C)C ZINC000824479175 608069497 /nfs/dbraw/zinc/06/94/97/608069497.db2.gz MEFLWOVXKZHGJC-DOMZBBRYSA-N -1 3 387.444 -0.167 20 0 GBADHM C[C@@H](NC(=O)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)C(=O)N(C)C ZINC000824479177 608069696 /nfs/dbraw/zinc/06/96/96/608069696.db2.gz MEFLWOVXKZHGJC-IUODEOHRSA-N -1 3 387.444 -0.167 20 0 GBADHM C[C@@H](NC(=O)CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)C(=O)N(C)C ZINC000824479177 608069695 /nfs/dbraw/zinc/06/96/95/608069695.db2.gz MEFLWOVXKZHGJC-IUODEOHRSA-N -1 3 387.444 -0.167 20 0 GBADHM C[C@H](NC(=O)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1)C(=O)N(C)C ZINC000824479179 608069596 /nfs/dbraw/zinc/06/95/96/608069596.db2.gz MEFLWOVXKZHGJC-SWLSCSKDSA-N -1 3 387.444 -0.167 20 0 GBADHM C[C@H](NC(=O)CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1)C(=O)N(C)C ZINC000824479179 608069595 /nfs/dbraw/zinc/06/95/95/608069595.db2.gz MEFLWOVXKZHGJC-SWLSCSKDSA-N -1 3 387.444 -0.167 20 0 GBADHM C[C@H](NC(=O)CN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1)C(=O)N(C)C ZINC000824479180 608069540 /nfs/dbraw/zinc/06/95/40/608069540.db2.gz MEFLWOVXKZHGJC-WFASDCNBSA-N -1 3 387.444 -0.167 20 0 GBADHM C[C@H](NC(=O)CN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1)C(=O)N(C)C ZINC000824479180 608069539 /nfs/dbraw/zinc/06/95/39/608069539.db2.gz MEFLWOVXKZHGJC-WFASDCNBSA-N -1 3 387.444 -0.167 20 0 GBADHM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CN(C)CCO1 ZINC000824491656 609309257 /nfs/dbraw/zinc/30/92/57/609309257.db2.gz WGNYIFXKNZLZOD-CMPLNLGQSA-N -1 3 392.468 -0.535 20 0 GBADHM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H]1CN(C)CCO1 ZINC000824491656 609309255 /nfs/dbraw/zinc/30/92/55/609309255.db2.gz WGNYIFXKNZLZOD-CMPLNLGQSA-N -1 3 392.468 -0.535 20 0 GBADHM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CN(C)CCO1 ZINC000824491659 609309360 /nfs/dbraw/zinc/30/93/60/609309360.db2.gz WGNYIFXKNZLZOD-JQWIXIFHSA-N -1 3 392.468 -0.535 20 0 GBADHM C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CN(C)CCO1 ZINC000824491659 609309359 /nfs/dbraw/zinc/30/93/59/609309359.db2.gz WGNYIFXKNZLZOD-JQWIXIFHSA-N -1 3 392.468 -0.535 20 0 GBADHM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CN(C)CCO1 ZINC000824491661 609309181 /nfs/dbraw/zinc/30/91/81/609309181.db2.gz WGNYIFXKNZLZOD-PWSUYJOCSA-N -1 3 392.468 -0.535 20 0 GBADHM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@@H]1CN(C)CCO1 ZINC000824491661 609309178 /nfs/dbraw/zinc/30/91/78/609309178.db2.gz WGNYIFXKNZLZOD-PWSUYJOCSA-N -1 3 392.468 -0.535 20 0 GBADHM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CN(C)CCO1 ZINC000824491664 609309612 /nfs/dbraw/zinc/30/96/12/609309612.db2.gz WGNYIFXKNZLZOD-ZYHUDNBSSA-N -1 3 392.468 -0.535 20 0 GBADHM C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[C@H]1CN(C)CCO1 ZINC000824491664 609309610 /nfs/dbraw/zinc/30/96/10/609309610.db2.gz WGNYIFXKNZLZOD-ZYHUDNBSSA-N -1 3 392.468 -0.535 20 0 GBADHM C[C@@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626649 608466910 /nfs/dbraw/zinc/46/69/10/608466910.db2.gz QJWPDMHOKIJTJM-SECBINFHSA-N -1 3 381.400 -0.009 20 0 GBADHM C[C@H](NCc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824626650 608467143 /nfs/dbraw/zinc/46/71/43/608467143.db2.gz QJWPDMHOKIJTJM-VIFPVBQESA-N -1 3 381.400 -0.009 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CO)CC1CC1 ZINC000824632479 608170364 /nfs/dbraw/zinc/17/03/64/608170364.db2.gz AELOOCZSJFRCBT-GWCFXTLKSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CO)CC1CC1 ZINC000824632479 608170362 /nfs/dbraw/zinc/17/03/62/608170362.db2.gz AELOOCZSJFRCBT-GWCFXTLKSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CO)CC1CC1 ZINC000824632482 608170487 /nfs/dbraw/zinc/17/04/87/608170487.db2.gz AELOOCZSJFRCBT-GXFFZTMASA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CO)CC1CC1 ZINC000824632482 608170485 /nfs/dbraw/zinc/17/04/85/608170485.db2.gz AELOOCZSJFRCBT-GXFFZTMASA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CO)CC1CC1 ZINC000824632483 608170453 /nfs/dbraw/zinc/17/04/53/608170453.db2.gz AELOOCZSJFRCBT-MFKMUULPSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CO)CC1CC1 ZINC000824632483 608170451 /nfs/dbraw/zinc/17/04/51/608170451.db2.gz AELOOCZSJFRCBT-MFKMUULPSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CO)CC1CC1 ZINC000824632484 608170265 /nfs/dbraw/zinc/17/02/65/608170265.db2.gz AELOOCZSJFRCBT-ZWNOBZJWSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CO)CC1CC1 ZINC000824632484 608170263 /nfs/dbraw/zinc/17/02/63/608170263.db2.gz AELOOCZSJFRCBT-ZWNOBZJWSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NN1CCCC1=O ZINC000824632487 609165696 /nfs/dbraw/zinc/16/56/96/609165696.db2.gz ANIOHRDQUKIFJP-SECBINFHSA-N -1 3 379.402 -0.813 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NN1CCCC1=O ZINC000824632487 609165694 /nfs/dbraw/zinc/16/56/94/609165694.db2.gz ANIOHRDQUKIFJP-SECBINFHSA-N -1 3 379.402 -0.813 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NN1CCCC1=O ZINC000824632492 609165946 /nfs/dbraw/zinc/16/59/46/609165946.db2.gz ANIOHRDQUKIFJP-VIFPVBQESA-N -1 3 379.402 -0.813 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NN1CCCC1=O ZINC000824632492 609165943 /nfs/dbraw/zinc/16/59/43/609165943.db2.gz ANIOHRDQUKIFJP-VIFPVBQESA-N -1 3 379.402 -0.813 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000824632585 607942150 /nfs/dbraw/zinc/94/21/50/607942150.db2.gz BXKUQTVFWIBLEU-BPNCWPANSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000824632585 607942149 /nfs/dbraw/zinc/94/21/49/607942149.db2.gz BXKUQTVFWIBLEU-BPNCWPANSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000824632586 607942073 /nfs/dbraw/zinc/94/20/73/607942073.db2.gz BXKUQTVFWIBLEU-GDLCADMTSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000824632586 607942072 /nfs/dbraw/zinc/94/20/72/607942072.db2.gz BXKUQTVFWIBLEU-GDLCADMTSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000824632587 607942067 /nfs/dbraw/zinc/94/20/67/607942067.db2.gz BXKUQTVFWIBLEU-LEWSCRJBSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000824632587 607942066 /nfs/dbraw/zinc/94/20/66/607942066.db2.gz BXKUQTVFWIBLEU-LEWSCRJBSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000824632588 607942195 /nfs/dbraw/zinc/94/21/95/607942195.db2.gz BXKUQTVFWIBLEU-ZLKJLUDKSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000824632588 607942194 /nfs/dbraw/zinc/94/21/94/607942194.db2.gz BXKUQTVFWIBLEU-ZLKJLUDKSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](CO)C1 ZINC000824632602 946875653 /nfs/dbraw/zinc/87/56/53/946875653.db2.gz CBNURCGZDJKNTK-GHMZBOCLSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](CO)C1 ZINC000824632602 946875640 /nfs/dbraw/zinc/87/56/40/946875640.db2.gz CBNURCGZDJKNTK-GHMZBOCLSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](CO)C1 ZINC000824632606 946876086 /nfs/dbraw/zinc/87/60/86/946876086.db2.gz CBNURCGZDJKNTK-MNOVXSKESA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](CO)C1 ZINC000824632606 946876080 /nfs/dbraw/zinc/87/60/80/946876080.db2.gz CBNURCGZDJKNTK-MNOVXSKESA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](CO)C1 ZINC000824632607 946875926 /nfs/dbraw/zinc/87/59/26/946875926.db2.gz CBNURCGZDJKNTK-QWRGUYRKSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](CO)C1 ZINC000824632607 946875915 /nfs/dbraw/zinc/87/59/15/946875915.db2.gz CBNURCGZDJKNTK-QWRGUYRKSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](CO)C1 ZINC000824632609 946874985 /nfs/dbraw/zinc/87/49/85/946874985.db2.gz CBNURCGZDJKNTK-WDEREUQCSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](CO)C1 ZINC000824632609 946874976 /nfs/dbraw/zinc/87/49/76/946874976.db2.gz CBNURCGZDJKNTK-WDEREUQCSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@](C)(O)C1 ZINC000824632720 608384667 /nfs/dbraw/zinc/38/46/67/608384667.db2.gz CLBPYGLTTBHAMF-BDJLRTHQSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@](C)(O)C1 ZINC000824632720 608384665 /nfs/dbraw/zinc/38/46/65/608384665.db2.gz CLBPYGLTTBHAMF-BDJLRTHQSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@](C)(O)C1 ZINC000824632721 608384772 /nfs/dbraw/zinc/38/47/72/608384772.db2.gz CLBPYGLTTBHAMF-BZNIZROVSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@](C)(O)C1 ZINC000824632721 608384770 /nfs/dbraw/zinc/38/47/70/608384770.db2.gz CLBPYGLTTBHAMF-BZNIZROVSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@](C)(O)C1 ZINC000824632722 608384832 /nfs/dbraw/zinc/38/48/32/608384832.db2.gz CLBPYGLTTBHAMF-MEDUHNTESA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@](C)(O)C1 ZINC000824632722 608384830 /nfs/dbraw/zinc/38/48/30/608384830.db2.gz CLBPYGLTTBHAMF-MEDUHNTESA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@](C)(O)C1 ZINC000824632723 608384930 /nfs/dbraw/zinc/38/49/30/608384930.db2.gz CLBPYGLTTBHAMF-ZBEGNZNMSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@](C)(O)C1 ZINC000824632723 608384928 /nfs/dbraw/zinc/38/49/28/608384928.db2.gz CLBPYGLTTBHAMF-ZBEGNZNMSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCCO)C1CC1 ZINC000824632814 608205224 /nfs/dbraw/zinc/20/52/24/608205224.db2.gz FRMMSZUNLKVXNC-LLVKDONJSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(CCCO)C1CC1 ZINC000824632814 608205221 /nfs/dbraw/zinc/20/52/21/608205221.db2.gz FRMMSZUNLKVXNC-LLVKDONJSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCCO)C1CC1 ZINC000824632815 608205180 /nfs/dbraw/zinc/20/51/80/608205180.db2.gz FRMMSZUNLKVXNC-NSHDSACASA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(CCCO)C1CC1 ZINC000824632815 608205178 /nfs/dbraw/zinc/20/51/78/608205178.db2.gz FRMMSZUNLKVXNC-NSHDSACASA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(CO)CCCC1 ZINC000824633018 946878210 /nfs/dbraw/zinc/87/82/10/946878210.db2.gz GLXGGFWVLMNNDZ-LLVKDONJSA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(CO)CCCC1 ZINC000824633018 946878200 /nfs/dbraw/zinc/87/82/00/946878200.db2.gz GLXGGFWVLMNNDZ-LLVKDONJSA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(CO)CCCC1 ZINC000824633019 946878661 /nfs/dbraw/zinc/87/86/61/946878661.db2.gz GLXGGFWVLMNNDZ-NSHDSACASA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(CO)CCCC1 ZINC000824633019 946878651 /nfs/dbraw/zinc/87/86/51/946878651.db2.gz GLXGGFWVLMNNDZ-NSHDSACASA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@](C)(CO)C1CC1 ZINC000824633046 607994108 /nfs/dbraw/zinc/99/41/08/607994108.db2.gz GRYDFGDRMLHZSG-HWPZZCPQSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@](C)(CO)C1CC1 ZINC000824633046 607994107 /nfs/dbraw/zinc/99/41/07/607994107.db2.gz GRYDFGDRMLHZSG-HWPZZCPQSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@](C)(CO)C1CC1 ZINC000824633047 607994194 /nfs/dbraw/zinc/99/41/94/607994194.db2.gz GRYDFGDRMLHZSG-MGPLVRAMSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@](C)(CO)C1CC1 ZINC000824633047 607994193 /nfs/dbraw/zinc/99/41/93/607994193.db2.gz GRYDFGDRMLHZSG-MGPLVRAMSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@](C)(CO)C1CC1 ZINC000824633048 607993989 /nfs/dbraw/zinc/99/39/89/607993989.db2.gz GRYDFGDRMLHZSG-QFYYESIMSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@](C)(CO)C1CC1 ZINC000824633048 607993988 /nfs/dbraw/zinc/99/39/88/607993988.db2.gz GRYDFGDRMLHZSG-QFYYESIMSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@](C)(CO)C1CC1 ZINC000824633049 607993995 /nfs/dbraw/zinc/99/39/95/607993995.db2.gz GRYDFGDRMLHZSG-QLJPJBMISA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@](C)(CO)C1CC1 ZINC000824633049 607993994 /nfs/dbraw/zinc/99/39/94/607993994.db2.gz GRYDFGDRMLHZSG-QLJPJBMISA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCOCCO ZINC000824633092 609169653 /nfs/dbraw/zinc/16/96/53/609169653.db2.gz HLZGKNDQIDQSRG-LLVKDONJSA-N -1 3 398.445 -0.951 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCOCCO ZINC000824633092 609169652 /nfs/dbraw/zinc/16/96/52/609169652.db2.gz HLZGKNDQIDQSRG-LLVKDONJSA-N -1 3 398.445 -0.951 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCOCCO ZINC000824633097 609170011 /nfs/dbraw/zinc/17/00/11/609170011.db2.gz HLZGKNDQIDQSRG-NSHDSACASA-N -1 3 398.445 -0.951 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCOCCO ZINC000824633097 609170009 /nfs/dbraw/zinc/17/00/09/609170009.db2.gz HLZGKNDQIDQSRG-NSHDSACASA-N -1 3 398.445 -0.951 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCO)C1CC1 ZINC000824633216 607708177 /nfs/dbraw/zinc/70/81/77/607708177.db2.gz IBUBSOSPMLAXAM-JTQLQIEISA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(CCO)C1CC1 ZINC000824633216 607708176 /nfs/dbraw/zinc/70/81/76/607708176.db2.gz IBUBSOSPMLAXAM-JTQLQIEISA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCO)C1CC1 ZINC000824633217 607708118 /nfs/dbraw/zinc/70/81/18/607708118.db2.gz IBUBSOSPMLAXAM-SNVBAGLBSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(CCO)C1CC1 ZINC000824633217 607708116 /nfs/dbraw/zinc/70/81/16/607708116.db2.gz IBUBSOSPMLAXAM-SNVBAGLBSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C(N)=O)CCC1 ZINC000824633244 607428061 /nfs/dbraw/zinc/42/80/61/607428061.db2.gz IXHXANAJPOBTNE-SECBINFHSA-N -1 3 393.429 -0.942 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C(N)=O)CCC1 ZINC000824633244 607428060 /nfs/dbraw/zinc/42/80/60/607428060.db2.gz IXHXANAJPOBTNE-SECBINFHSA-N -1 3 393.429 -0.942 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(C(N)=O)CCC1 ZINC000824633245 607428241 /nfs/dbraw/zinc/42/82/41/607428241.db2.gz IXHXANAJPOBTNE-VIFPVBQESA-N -1 3 393.429 -0.942 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(C(N)=O)CCC1 ZINC000824633245 607428240 /nfs/dbraw/zinc/42/82/40/607428240.db2.gz IXHXANAJPOBTNE-VIFPVBQESA-N -1 3 393.429 -0.942 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC(CCO)C1 ZINC000824633250 946876913 /nfs/dbraw/zinc/87/69/13/946876913.db2.gz JDJOYBWJQLCXEP-JTQLQIEISA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC(CCO)C1 ZINC000824633250 946876909 /nfs/dbraw/zinc/87/69/09/946876909.db2.gz JDJOYBWJQLCXEP-JTQLQIEISA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC(CCO)C1 ZINC000824633251 946876890 /nfs/dbraw/zinc/87/68/90/946876890.db2.gz JDJOYBWJQLCXEP-SNVBAGLBSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC(CCO)C1 ZINC000824633251 946876882 /nfs/dbraw/zinc/87/68/82/946876882.db2.gz JDJOYBWJQLCXEP-SNVBAGLBSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H]1CO ZINC000824633276 607995985 /nfs/dbraw/zinc/99/59/85/607995985.db2.gz JQBBPHSMFMVMAG-CMPLNLGQSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H]1CO ZINC000824633276 607995984 /nfs/dbraw/zinc/99/59/84/607995984.db2.gz JQBBPHSMFMVMAG-CMPLNLGQSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC[C@@H]1CO ZINC000824633277 607996088 /nfs/dbraw/zinc/99/60/88/607996088.db2.gz JQBBPHSMFMVMAG-ZYHUDNBSSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC[C@@H]1CO ZINC000824633277 607996087 /nfs/dbraw/zinc/99/60/87/607996087.db2.gz JQBBPHSMFMVMAG-ZYHUDNBSSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCC(N)=O ZINC000824633286 608244606 /nfs/dbraw/zinc/24/46/06/608244606.db2.gz JUGQSADTLZCTNS-JTQLQIEISA-N -1 3 395.445 -0.695 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCC(N)=O ZINC000824633286 608244605 /nfs/dbraw/zinc/24/46/05/608244605.db2.gz JUGQSADTLZCTNS-JTQLQIEISA-N -1 3 395.445 -0.695 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCCC(N)=O ZINC000824633287 608244892 /nfs/dbraw/zinc/24/48/92/608244892.db2.gz JUGQSADTLZCTNS-SNVBAGLBSA-N -1 3 395.445 -0.695 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCCCC(N)=O ZINC000824633287 608244890 /nfs/dbraw/zinc/24/48/90/608244890.db2.gz JUGQSADTLZCTNS-SNVBAGLBSA-N -1 3 395.445 -0.695 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000824633322 608591048 /nfs/dbraw/zinc/59/10/48/608591048.db2.gz KUZAQZSAKKBLOU-GBIKHYSHSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000824633322 608591046 /nfs/dbraw/zinc/59/10/46/608591046.db2.gz KUZAQZSAKKBLOU-GBIKHYSHSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000824633323 608591378 /nfs/dbraw/zinc/59/13/78/608591378.db2.gz KUZAQZSAKKBLOU-KWBADKCTSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000824633323 608591377 /nfs/dbraw/zinc/59/13/77/608591377.db2.gz KUZAQZSAKKBLOU-KWBADKCTSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000824633324 608591489 /nfs/dbraw/zinc/59/14/89/608591489.db2.gz KUZAQZSAKKBLOU-NRUUGDAUSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000824633324 608591488 /nfs/dbraw/zinc/59/14/88/608591488.db2.gz KUZAQZSAKKBLOU-NRUUGDAUSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000824633325 608591370 /nfs/dbraw/zinc/59/13/70/608591370.db2.gz KUZAQZSAKKBLOU-OUJBWJOFSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000824633325 608591369 /nfs/dbraw/zinc/59/13/69/608591369.db2.gz KUZAQZSAKKBLOU-OUJBWJOFSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)C1CC1 ZINC000824633326 946879190 /nfs/dbraw/zinc/87/91/90/946879190.db2.gz KYGXJLSIEBRFIM-SECBINFHSA-N -1 3 378.414 -0.371 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(=O)C1CC1 ZINC000824633326 946879176 /nfs/dbraw/zinc/87/91/76/946879176.db2.gz KYGXJLSIEBRFIM-SECBINFHSA-N -1 3 378.414 -0.371 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)C1CC1 ZINC000824633327 946876724 /nfs/dbraw/zinc/87/67/24/946876724.db2.gz KYGXJLSIEBRFIM-VIFPVBQESA-N -1 3 378.414 -0.371 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC(=O)C1CC1 ZINC000824633327 946876711 /nfs/dbraw/zinc/87/67/11/946876711.db2.gz KYGXJLSIEBRFIM-VIFPVBQESA-N -1 3 378.414 -0.371 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCO[C@@H]1C ZINC000824633328 608157306 /nfs/dbraw/zinc/15/73/06/608157306.db2.gz LAVXYHQJJNBJAY-CWSCBRNRSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCO[C@@H]1C ZINC000824633328 608157304 /nfs/dbraw/zinc/15/73/04/608157304.db2.gz LAVXYHQJJNBJAY-CWSCBRNRSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CCO[C@H]1C ZINC000824633329 608157010 /nfs/dbraw/zinc/15/70/10/608157010.db2.gz LAVXYHQJJNBJAY-KWBADKCTSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CCO[C@H]1C ZINC000824633329 608157008 /nfs/dbraw/zinc/15/70/08/608157008.db2.gz LAVXYHQJJNBJAY-KWBADKCTSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000824633330 608157300 /nfs/dbraw/zinc/15/73/00/608157300.db2.gz LAVXYHQJJNBJAY-OPQQBVKSSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000824633330 608157299 /nfs/dbraw/zinc/15/72/99/608157299.db2.gz LAVXYHQJJNBJAY-OPQQBVKSSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCO[C@H]1C ZINC000824633331 608157062 /nfs/dbraw/zinc/15/70/62/608157062.db2.gz LAVXYHQJJNBJAY-OUJBWJOFSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H]1CCO[C@H]1C ZINC000824633331 608157060 /nfs/dbraw/zinc/15/70/60/608157060.db2.gz LAVXYHQJJNBJAY-OUJBWJOFSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ncccn1 ZINC000824633348 608812623 /nfs/dbraw/zinc/81/26/23/608812623.db2.gz LKNKQHVUYDYONF-JTQLQIEISA-N -1 3 388.413 -0.360 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ncccn1 ZINC000824633348 608812622 /nfs/dbraw/zinc/81/26/22/608812622.db2.gz LKNKQHVUYDYONF-JTQLQIEISA-N -1 3 388.413 -0.360 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ncccn1 ZINC000824633349 608813074 /nfs/dbraw/zinc/81/30/74/608813074.db2.gz LKNKQHVUYDYONF-SNVBAGLBSA-N -1 3 388.413 -0.360 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ncccn1 ZINC000824633349 608813072 /nfs/dbraw/zinc/81/30/72/608813072.db2.gz LKNKQHVUYDYONF-SNVBAGLBSA-N -1 3 388.413 -0.360 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCn1ccnc1 ZINC000824633386 608254670 /nfs/dbraw/zinc/25/46/70/608254670.db2.gz MCEYONHUYWCYHA-LLVKDONJSA-N -1 3 391.413 -0.027 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCn1ccnc1 ZINC000824633386 608254669 /nfs/dbraw/zinc/25/46/69/608254669.db2.gz MCEYONHUYWCYHA-LLVKDONJSA-N -1 3 391.413 -0.027 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCCn1ccnc1 ZINC000824633387 608254501 /nfs/dbraw/zinc/25/45/01/608254501.db2.gz MCEYONHUYWCYHA-NSHDSACASA-N -1 3 391.413 -0.027 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCCn1ccnc1 ZINC000824633387 608254499 /nfs/dbraw/zinc/25/44/99/608254499.db2.gz MCEYONHUYWCYHA-NSHDSACASA-N -1 3 391.413 -0.027 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(CO)CCC1 ZINC000824633400 608473495 /nfs/dbraw/zinc/47/34/95/608473495.db2.gz MMVHYLCUMPIFKN-JTQLQIEISA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(CO)CCC1 ZINC000824633400 608473493 /nfs/dbraw/zinc/47/34/93/608473493.db2.gz MMVHYLCUMPIFKN-JTQLQIEISA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(CO)CCC1 ZINC000824633401 608473539 /nfs/dbraw/zinc/47/35/39/608473539.db2.gz MMVHYLCUMPIFKN-SNVBAGLBSA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC1(CO)CCC1 ZINC000824633401 608473537 /nfs/dbraw/zinc/47/35/37/608473537.db2.gz MMVHYLCUMPIFKN-SNVBAGLBSA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CCO)C1CC1 ZINC000824633406 607940536 /nfs/dbraw/zinc/94/05/36/607940536.db2.gz MPWRECWXMISEQI-HZMBPMFUSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CCO)C1CC1 ZINC000824633406 607940535 /nfs/dbraw/zinc/94/05/35/607940535.db2.gz MPWRECWXMISEQI-HZMBPMFUSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CCO)C1CC1 ZINC000824633407 607940700 /nfs/dbraw/zinc/94/07/00/607940700.db2.gz MPWRECWXMISEQI-IINYFYTJSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CCO)C1CC1 ZINC000824633407 607940699 /nfs/dbraw/zinc/94/06/99/607940699.db2.gz MPWRECWXMISEQI-IINYFYTJSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CCO)C1CC1 ZINC000824633408 607940728 /nfs/dbraw/zinc/94/07/28/607940728.db2.gz MPWRECWXMISEQI-QMTHXVAHSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CCO)C1CC1 ZINC000824633408 607940727 /nfs/dbraw/zinc/94/07/27/607940727.db2.gz MPWRECWXMISEQI-QMTHXVAHSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CCO)C1CC1 ZINC000824633409 607940719 /nfs/dbraw/zinc/94/07/19/607940719.db2.gz MPWRECWXMISEQI-YGRLFVJLSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CCO)C1CC1 ZINC000824633409 607940718 /nfs/dbraw/zinc/94/07/18/607940718.db2.gz MPWRECWXMISEQI-YGRLFVJLSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CNC(=O)C1 ZINC000824633438 608248073 /nfs/dbraw/zinc/24/80/73/608248073.db2.gz NNFNJWOXUPBETJ-NXEZZACHSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CNC(=O)C1 ZINC000824633438 608248071 /nfs/dbraw/zinc/24/80/71/608248071.db2.gz NNFNJWOXUPBETJ-NXEZZACHSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CNC(=O)C1 ZINC000824633439 608247610 /nfs/dbraw/zinc/24/76/10/608247610.db2.gz NNFNJWOXUPBETJ-UWVGGRQHSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CNC(=O)C1 ZINC000824633439 608247608 /nfs/dbraw/zinc/24/76/08/608247608.db2.gz NNFNJWOXUPBETJ-UWVGGRQHSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@H]1CNC(=O)C1 ZINC000824633440 608247891 /nfs/dbraw/zinc/24/78/91/608247891.db2.gz NNFNJWOXUPBETJ-VHSXEESVSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@H]1CNC(=O)C1 ZINC000824633440 608247890 /nfs/dbraw/zinc/24/78/90/608247890.db2.gz NNFNJWOXUPBETJ-VHSXEESVSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC[C@@H]1CNC(=O)C1 ZINC000824633441 608247940 /nfs/dbraw/zinc/24/79/40/608247940.db2.gz NNFNJWOXUPBETJ-ZJUUUORDSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC[C@@H]1CNC(=O)C1 ZINC000824633441 608247939 /nfs/dbraw/zinc/24/79/39/608247939.db2.gz NNFNJWOXUPBETJ-ZJUUUORDSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccon1 ZINC000824633448 608818869 /nfs/dbraw/zinc/81/88/69/608818869.db2.gz NPWKTTUEKHUMOB-JTQLQIEISA-N -1 3 391.413 -0.120 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccon1 ZINC000824633448 608818867 /nfs/dbraw/zinc/81/88/67/608818867.db2.gz NPWKTTUEKHUMOB-JTQLQIEISA-N -1 3 391.413 -0.120 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCc1ccon1 ZINC000824633449 608818671 /nfs/dbraw/zinc/81/86/71/608818671.db2.gz NPWKTTUEKHUMOB-SNVBAGLBSA-N -1 3 391.413 -0.120 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCc1ccon1 ZINC000824633449 608818669 /nfs/dbraw/zinc/81/86/69/608818669.db2.gz NPWKTTUEKHUMOB-SNVBAGLBSA-N -1 3 391.413 -0.120 20 0 GBADHM C[C@@H](CO)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633452 607941350 /nfs/dbraw/zinc/94/13/50/607941350.db2.gz NUBHFUMYLXNJCA-AXFHLTTASA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](CO)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824633452 607941349 /nfs/dbraw/zinc/94/13/49/607941349.db2.gz NUBHFUMYLXNJCA-AXFHLTTASA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](CO)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633453 607941250 /nfs/dbraw/zinc/94/12/50/607941250.db2.gz NUBHFUMYLXNJCA-DCAQKATOSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](CO)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824633453 607941249 /nfs/dbraw/zinc/94/12/49/607941249.db2.gz NUBHFUMYLXNJCA-DCAQKATOSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)CO ZINC000824633454 607941140 /nfs/dbraw/zinc/94/11/40/607941140.db2.gz NUBHFUMYLXNJCA-MXWKQRLJSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)CO ZINC000824633454 607941139 /nfs/dbraw/zinc/94/11/39/607941139.db2.gz NUBHFUMYLXNJCA-MXWKQRLJSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@H](CO)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633455 607941322 /nfs/dbraw/zinc/94/13/22/607941322.db2.gz NUBHFUMYLXNJCA-VWYCJHECSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@H](CO)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824633455 607941321 /nfs/dbraw/zinc/94/13/21/607941321.db2.gz NUBHFUMYLXNJCA-VWYCJHECSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@]1(C)CCOC1 ZINC000824633499 607914109 /nfs/dbraw/zinc/91/41/09/607914109.db2.gz OSAYUZCZHHLLSU-BMIGLBTASA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@]1(C)CCOC1 ZINC000824633499 607914108 /nfs/dbraw/zinc/91/41/08/607914108.db2.gz OSAYUZCZHHLLSU-BMIGLBTASA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@]1(C)CCOC1 ZINC000824633503 607913898 /nfs/dbraw/zinc/91/38/98/607913898.db2.gz OSAYUZCZHHLLSU-BONVTDFDSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@]1(C)CCOC1 ZINC000824633503 607913897 /nfs/dbraw/zinc/91/38/97/607913897.db2.gz OSAYUZCZHHLLSU-BONVTDFDSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@]1(C)CCOC1 ZINC000824633505 607914038 /nfs/dbraw/zinc/91/40/38/607914038.db2.gz OSAYUZCZHHLLSU-MEBBXXQBSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@]1(C)CCOC1 ZINC000824633505 607914037 /nfs/dbraw/zinc/91/40/37/607914037.db2.gz OSAYUZCZHHLLSU-MEBBXXQBSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@]1(C)CCOC1 ZINC000824633507 607914002 /nfs/dbraw/zinc/91/40/02/607914002.db2.gz OSAYUZCZHHLLSU-ZUZCIYMTSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@]1(C)CCOC1 ZINC000824633507 607914001 /nfs/dbraw/zinc/91/40/01/607914001.db2.gz OSAYUZCZHHLLSU-ZUZCIYMTSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C)OCCO1 ZINC000824633519 608199682 /nfs/dbraw/zinc/19/96/82/608199682.db2.gz OSXSWICYGAFDMA-JTQLQIEISA-N -1 3 396.429 -0.587 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C)OCCO1 ZINC000824633519 608199681 /nfs/dbraw/zinc/19/96/81/608199681.db2.gz OSXSWICYGAFDMA-JTQLQIEISA-N -1 3 396.429 -0.587 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCC1(C)OCCO1 ZINC000824633522 608199284 /nfs/dbraw/zinc/19/92/84/608199284.db2.gz OSXSWICYGAFDMA-SNVBAGLBSA-N -1 3 396.429 -0.587 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCC1(C)OCCO1 ZINC000824633522 608199282 /nfs/dbraw/zinc/19/92/82/608199282.db2.gz OSXSWICYGAFDMA-SNVBAGLBSA-N -1 3 396.429 -0.587 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CC(=O)N(C)C1 ZINC000824633545 608186640 /nfs/dbraw/zinc/18/66/40/608186640.db2.gz OYDLIVFXPSIMBW-GXSJLCMTSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CC(=O)N(C)C1 ZINC000824633545 608186638 /nfs/dbraw/zinc/18/66/38/608186638.db2.gz OYDLIVFXPSIMBW-GXSJLCMTSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CC(=O)N(C)C1 ZINC000824633547 608186607 /nfs/dbraw/zinc/18/66/07/608186607.db2.gz OYDLIVFXPSIMBW-KOLCDFICSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CC(=O)N(C)C1 ZINC000824633547 608186606 /nfs/dbraw/zinc/18/66/06/608186606.db2.gz OYDLIVFXPSIMBW-KOLCDFICSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CC(=O)N(C)C1 ZINC000824633550 608186834 /nfs/dbraw/zinc/18/68/34/608186834.db2.gz OYDLIVFXPSIMBW-MWLCHTKSSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CC(=O)N(C)C1 ZINC000824633550 608186832 /nfs/dbraw/zinc/18/68/32/608186832.db2.gz OYDLIVFXPSIMBW-MWLCHTKSSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@H]1CC(=O)N(C)C1 ZINC000824633552 608186620 /nfs/dbraw/zinc/18/66/20/608186620.db2.gz OYDLIVFXPSIMBW-ONGXEEELSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@H]1CC(=O)N(C)C1 ZINC000824633552 608186619 /nfs/dbraw/zinc/18/66/19/608186619.db2.gz OYDLIVFXPSIMBW-ONGXEEELSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(=O)CC1 ZINC000824633591 609422550 /nfs/dbraw/zinc/42/25/50/609422550.db2.gz PMMCGDMCAAHVRT-JTQLQIEISA-N -1 3 378.414 -0.275 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(=O)CC1 ZINC000824633591 609422549 /nfs/dbraw/zinc/42/25/49/609422549.db2.gz PMMCGDMCAAHVRT-JTQLQIEISA-N -1 3 378.414 -0.275 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCC(=O)CC1 ZINC000824633594 609422142 /nfs/dbraw/zinc/42/21/42/609422142.db2.gz PMMCGDMCAAHVRT-SNVBAGLBSA-N -1 3 378.414 -0.275 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CCC(=O)CC1 ZINC000824633594 609422139 /nfs/dbraw/zinc/42/21/39/609422139.db2.gz PMMCGDMCAAHVRT-SNVBAGLBSA-N -1 3 378.414 -0.275 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccn(C)n1 ZINC000824633925 608246751 /nfs/dbraw/zinc/24/67/51/608246751.db2.gz RSFCMMBEWQBXAA-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccn(C)n1 ZINC000824633925 608246750 /nfs/dbraw/zinc/24/67/50/608246750.db2.gz RSFCMMBEWQBXAA-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccn(C)n1 ZINC000824633927 608246355 /nfs/dbraw/zinc/24/63/55/608246355.db2.gz RSFCMMBEWQBXAA-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1ccn(C)n1 ZINC000824633927 608246353 /nfs/dbraw/zinc/24/63/53/608246353.db2.gz RSFCMMBEWQBXAA-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000824634008 607808334 /nfs/dbraw/zinc/80/83/34/607808334.db2.gz TZMQODJOLNYWLS-DRZSPHRISA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000824634008 607808333 /nfs/dbraw/zinc/80/83/33/607808333.db2.gz TZMQODJOLNYWLS-DRZSPHRISA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000824634009 607808568 /nfs/dbraw/zinc/80/85/68/607808568.db2.gz TZMQODJOLNYWLS-RAIGVLPGSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000824634009 607808567 /nfs/dbraw/zinc/80/85/67/607808567.db2.gz TZMQODJOLNYWLS-RAIGVLPGSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)CCO ZINC000824634259 609392530 /nfs/dbraw/zinc/39/25/30/609392530.db2.gz USQWKDCIIGIJRN-JTQLQIEISA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)CCO ZINC000824634259 609392529 /nfs/dbraw/zinc/39/25/29/609392529.db2.gz USQWKDCIIGIJRN-JTQLQIEISA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)CCO ZINC000824634260 609392477 /nfs/dbraw/zinc/39/24/77/609392477.db2.gz USQWKDCIIGIJRN-SNVBAGLBSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)CCO ZINC000824634260 609392474 /nfs/dbraw/zinc/39/24/74/609392474.db2.gz USQWKDCIIGIJRN-SNVBAGLBSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](O)C(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634271 609415751 /nfs/dbraw/zinc/41/57/51/609415751.db2.gz VAYCRIOSMTZYCE-NXEZZACHSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](O)C(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634271 609415748 /nfs/dbraw/zinc/41/57/48/609415748.db2.gz VAYCRIOSMTZYCE-NXEZZACHSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](O)C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634272 609415251 /nfs/dbraw/zinc/41/52/51/609415251.db2.gz VAYCRIOSMTZYCE-UWVGGRQHSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](O)C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634272 609415250 /nfs/dbraw/zinc/41/52/50/609415250.db2.gz VAYCRIOSMTZYCE-UWVGGRQHSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](O)C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634273 609415357 /nfs/dbraw/zinc/41/53/57/609415357.db2.gz VAYCRIOSMTZYCE-VHSXEESVSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](O)C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634273 609415354 /nfs/dbraw/zinc/41/53/54/609415354.db2.gz VAYCRIOSMTZYCE-VHSXEESVSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)[C@H](C)O ZINC000824634274 609415544 /nfs/dbraw/zinc/41/55/44/609415544.db2.gz VAYCRIOSMTZYCE-ZJUUUORDSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)[C@H](C)O ZINC000824634274 609415543 /nfs/dbraw/zinc/41/55/43/609415543.db2.gz VAYCRIOSMTZYCE-ZJUUUORDSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](CCO)C1 ZINC000824634311 607994569 /nfs/dbraw/zinc/99/45/69/607994569.db2.gz VLHJFYNUPLUNJU-NEPJUHHUSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](CCO)C1 ZINC000824634311 607994568 /nfs/dbraw/zinc/99/45/68/607994568.db2.gz VLHJFYNUPLUNJU-NEPJUHHUSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](CCO)C1 ZINC000824634312 607994590 /nfs/dbraw/zinc/99/45/90/607994590.db2.gz VLHJFYNUPLUNJU-NWDGAFQWSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](CCO)C1 ZINC000824634312 607994589 /nfs/dbraw/zinc/99/45/89/607994589.db2.gz VLHJFYNUPLUNJU-NWDGAFQWSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H](CCO)C1 ZINC000824634313 607994701 /nfs/dbraw/zinc/99/47/01/607994701.db2.gz VLHJFYNUPLUNJU-RYUDHWBXSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@@H](CCO)C1 ZINC000824634313 607994700 /nfs/dbraw/zinc/99/47/00/607994700.db2.gz VLHJFYNUPLUNJU-RYUDHWBXSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H](CCO)C1 ZINC000824634314 607994768 /nfs/dbraw/zinc/99/47/68/607994768.db2.gz VLHJFYNUPLUNJU-VXGBXAGGSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N1CC[C@H](CCO)C1 ZINC000824634314 607994767 /nfs/dbraw/zinc/99/47/67/607994767.db2.gz VLHJFYNUPLUNJU-VXGBXAGGSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(CO)COC1 ZINC000824634622 608116583 /nfs/dbraw/zinc/11/65/83/608116583.db2.gz WDUHGTCJKSYPTF-JTQLQIEISA-N -1 3 397.413 -0.914 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(CO)COC1 ZINC000824634622 608116582 /nfs/dbraw/zinc/11/65/82/608116582.db2.gz WDUHGTCJKSYPTF-JTQLQIEISA-N -1 3 397.413 -0.914 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(CO)COC1 ZINC000824634626 608116676 /nfs/dbraw/zinc/11/66/76/608116676.db2.gz WDUHGTCJKSYPTF-SNVBAGLBSA-N -1 3 397.413 -0.914 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(CO)COC1 ZINC000824634626 608116675 /nfs/dbraw/zinc/11/66/75/608116675.db2.gz WDUHGTCJKSYPTF-SNVBAGLBSA-N -1 3 397.413 -0.914 20 0 GBADHM CC(C)[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634637 609394690 /nfs/dbraw/zinc/39/46/90/609394690.db2.gz WERSGXOQCUFJHL-GXFFZTMASA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634637 609394689 /nfs/dbraw/zinc/39/46/89/609394689.db2.gz WERSGXOQCUFJHL-GXFFZTMASA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824634639 609394654 /nfs/dbraw/zinc/39/46/54/609394654.db2.gz WERSGXOQCUFJHL-ZWNOBZJWSA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824634639 609394652 /nfs/dbraw/zinc/39/46/52/609394652.db2.gz WERSGXOQCUFJHL-ZWNOBZJWSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ncon1 ZINC000824634691 609394850 /nfs/dbraw/zinc/39/48/50/609394850.db2.gz XGYHNQQXKRQGSY-BDAKNGLRSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ncon1 ZINC000824634691 609394848 /nfs/dbraw/zinc/39/48/48/609394848.db2.gz XGYHNQQXKRQGSY-BDAKNGLRSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ncon1 ZINC000824634692 609394674 /nfs/dbraw/zinc/39/46/74/609394674.db2.gz XGYHNQQXKRQGSY-DTWKUNHWSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ncon1 ZINC000824634692 609394673 /nfs/dbraw/zinc/39/46/73/609394673.db2.gz XGYHNQQXKRQGSY-DTWKUNHWSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)c1ncon1 ZINC000824634693 609395034 /nfs/dbraw/zinc/39/50/34/609395034.db2.gz XGYHNQQXKRQGSY-IUCAKERBSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)c1ncon1 ZINC000824634693 609395032 /nfs/dbraw/zinc/39/50/32/609395032.db2.gz XGYHNQQXKRQGSY-IUCAKERBSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C)c1ncon1 ZINC000824634694 609394893 /nfs/dbraw/zinc/39/48/93/609394893.db2.gz XGYHNQQXKRQGSY-RKDXNWHRSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](C)c1ncon1 ZINC000824634694 609394891 /nfs/dbraw/zinc/39/48/91/609394891.db2.gz XGYHNQQXKRQGSY-RKDXNWHRSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCO)CC1CC1 ZINC000824635098 607942871 /nfs/dbraw/zinc/94/28/71/607942871.db2.gz YTKOTLIIMVTUJK-LLVKDONJSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(CCO)CC1CC1 ZINC000824635098 607942870 /nfs/dbraw/zinc/94/28/70/607942870.db2.gz YTKOTLIIMVTUJK-LLVKDONJSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCO)CC1CC1 ZINC000824635100 607942734 /nfs/dbraw/zinc/94/27/34/607942734.db2.gz YTKOTLIIMVTUJK-NSHDSACASA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(CCO)CC1CC1 ZINC000824635100 607942733 /nfs/dbraw/zinc/94/27/33/607942733.db2.gz YTKOTLIIMVTUJK-NSHDSACASA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CO)C1CC1 ZINC000824635122 608171671 /nfs/dbraw/zinc/17/16/71/608171671.db2.gz ZBMIMKSIVYFTID-NOZJJQNGSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CO)C1CC1 ZINC000824635122 608171669 /nfs/dbraw/zinc/17/16/69/608171669.db2.gz ZBMIMKSIVYFTID-NOZJJQNGSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CO)C1CC1 ZINC000824635125 608171804 /nfs/dbraw/zinc/17/18/04/608171804.db2.gz ZBMIMKSIVYFTID-RNCFNFMXSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CO)C1CC1 ZINC000824635125 608171803 /nfs/dbraw/zinc/17/18/03/608171803.db2.gz ZBMIMKSIVYFTID-RNCFNFMXSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](CO)C1CC1 ZINC000824635127 608171737 /nfs/dbraw/zinc/17/17/37/608171737.db2.gz ZBMIMKSIVYFTID-TVQRCGJNSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@H](CO)C1CC1 ZINC000824635127 608171735 /nfs/dbraw/zinc/17/17/35/608171735.db2.gz ZBMIMKSIVYFTID-TVQRCGJNSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](CO)C1CC1 ZINC000824635129 608171516 /nfs/dbraw/zinc/17/15/16/608171516.db2.gz ZBMIMKSIVYFTID-ZANVPECISA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](CO)C1CC1 ZINC000824635129 608171514 /nfs/dbraw/zinc/17/15/14/608171514.db2.gz ZBMIMKSIVYFTID-ZANVPECISA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOC(N)=O ZINC000824635151 946881683 /nfs/dbraw/zinc/88/16/83/946881683.db2.gz ZDAZJAPUIWZOAM-MRVPVSSYSA-N -1 3 383.390 -0.841 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOC(N)=O ZINC000824635151 946881668 /nfs/dbraw/zinc/88/16/68/946881668.db2.gz ZDAZJAPUIWZOAM-MRVPVSSYSA-N -1 3 383.390 -0.841 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)NCCOC(N)=O ZINC000824635154 946880897 /nfs/dbraw/zinc/88/08/97/946880897.db2.gz ZDAZJAPUIWZOAM-QMMMGPOBSA-N -1 3 383.390 -0.841 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)NCCOC(N)=O ZINC000824635154 946880886 /nfs/dbraw/zinc/88/08/86/946880886.db2.gz ZDAZJAPUIWZOAM-QMMMGPOBSA-N -1 3 383.390 -0.841 20 0 GBADHM C[C@@H](O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824635217 609175446 /nfs/dbraw/zinc/17/54/46/609175446.db2.gz ZVBQOSZWSKOAIH-DMDPSCGWSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@@H](O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824635217 609175444 /nfs/dbraw/zinc/17/54/44/609175444.db2.gz ZVBQOSZWSKOAIH-DMDPSCGWSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@H](O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824635219 609175840 /nfs/dbraw/zinc/17/58/40/609175840.db2.gz ZVBQOSZWSKOAIH-GMXVVIOVSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@H](O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824635219 609175839 /nfs/dbraw/zinc/17/58/39/609175839.db2.gz ZVBQOSZWSKOAIH-GMXVVIOVSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@H](O)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824635221 609175829 /nfs/dbraw/zinc/17/58/29/609175829.db2.gz ZVBQOSZWSKOAIH-GVXVVHGQSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@H](O)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824635221 609175828 /nfs/dbraw/zinc/17/58/28/609175828.db2.gz ZVBQOSZWSKOAIH-GVXVVHGQSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@@H](O)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824635222 609175708 /nfs/dbraw/zinc/17/57/08/609175708.db2.gz ZVBQOSZWSKOAIH-LOWVWBTDSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@@H](O)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824635222 609175705 /nfs/dbraw/zinc/17/57/05/609175705.db2.gz ZVBQOSZWSKOAIH-LOWVWBTDSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CNC(=O)C1 ZINC000824640134 608247760 /nfs/dbraw/zinc/24/77/60/608247760.db2.gz AUYXYROTHLSHBL-NXEZZACHSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CNC(=O)C1 ZINC000824640134 608247757 /nfs/dbraw/zinc/24/77/57/608247757.db2.gz AUYXYROTHLSHBL-NXEZZACHSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CNC(=O)C1 ZINC000824640135 608247885 /nfs/dbraw/zinc/24/78/85/608247885.db2.gz AUYXYROTHLSHBL-UWVGGRQHSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CNC(=O)C1 ZINC000824640135 608247884 /nfs/dbraw/zinc/24/78/84/608247884.db2.gz AUYXYROTHLSHBL-UWVGGRQHSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@H]1CNC(=O)C1 ZINC000824640136 608248096 /nfs/dbraw/zinc/24/80/96/608248096.db2.gz AUYXYROTHLSHBL-VHSXEESVSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@H]1CNC(=O)C1 ZINC000824640136 608248095 /nfs/dbraw/zinc/24/80/95/608248095.db2.gz AUYXYROTHLSHBL-VHSXEESVSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC[C@@H]1CNC(=O)C1 ZINC000824640137 608247961 /nfs/dbraw/zinc/24/79/61/608247961.db2.gz AUYXYROTHLSHBL-ZJUUUORDSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC[C@@H]1CNC(=O)C1 ZINC000824640137 608247960 /nfs/dbraw/zinc/24/79/60/608247960.db2.gz AUYXYROTHLSHBL-ZJUUUORDSA-N -1 3 394.413 -0.787 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NN1CCCC1=O ZINC000824640140 609165922 /nfs/dbraw/zinc/16/59/22/609165922.db2.gz BAJBOBGBTPTFDA-SECBINFHSA-N -1 3 379.402 -0.813 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NN1CCCC1=O ZINC000824640140 609165920 /nfs/dbraw/zinc/16/59/20/609165920.db2.gz BAJBOBGBTPTFDA-SECBINFHSA-N -1 3 379.402 -0.813 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NN1CCCC1=O ZINC000824640141 609165838 /nfs/dbraw/zinc/16/58/38/609165838.db2.gz BAJBOBGBTPTFDA-VIFPVBQESA-N -1 3 379.402 -0.813 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NN1CCCC1=O ZINC000824640141 609165836 /nfs/dbraw/zinc/16/58/36/609165836.db2.gz BAJBOBGBTPTFDA-VIFPVBQESA-N -1 3 379.402 -0.813 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ncccn1 ZINC000824640192 608812976 /nfs/dbraw/zinc/81/29/76/608812976.db2.gz CJOYOFVLRAIUQO-JTQLQIEISA-N -1 3 388.413 -0.360 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ncccn1 ZINC000824640192 608812975 /nfs/dbraw/zinc/81/29/75/608812975.db2.gz CJOYOFVLRAIUQO-JTQLQIEISA-N -1 3 388.413 -0.360 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ncccn1 ZINC000824640193 608813121 /nfs/dbraw/zinc/81/31/21/608813121.db2.gz CJOYOFVLRAIUQO-SNVBAGLBSA-N -1 3 388.413 -0.360 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ncccn1 ZINC000824640193 608813119 /nfs/dbraw/zinc/81/31/19/608813119.db2.gz CJOYOFVLRAIUQO-SNVBAGLBSA-N -1 3 388.413 -0.360 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(CCCO)C1CC1 ZINC000824640200 608204926 /nfs/dbraw/zinc/20/49/26/608204926.db2.gz CSCNHWUOLZRLTE-LLVKDONJSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(CCCO)C1CC1 ZINC000824640200 608204925 /nfs/dbraw/zinc/20/49/25/608204925.db2.gz CSCNHWUOLZRLTE-LLVKDONJSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(CCCO)C1CC1 ZINC000824640201 608205396 /nfs/dbraw/zinc/20/53/96/608205396.db2.gz CSCNHWUOLZRLTE-NSHDSACASA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(CCCO)C1CC1 ZINC000824640201 608205394 /nfs/dbraw/zinc/20/53/94/608205394.db2.gz CSCNHWUOLZRLTE-NSHDSACASA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCCC(N)=O ZINC000824640206 608244696 /nfs/dbraw/zinc/24/46/96/608244696.db2.gz CVPSQXBDFQYCJH-JTQLQIEISA-N -1 3 395.445 -0.695 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCC(N)=O ZINC000824640206 608244694 /nfs/dbraw/zinc/24/46/94/608244694.db2.gz CVPSQXBDFQYCJH-JTQLQIEISA-N -1 3 395.445 -0.695 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCCC(N)=O ZINC000824640207 608244488 /nfs/dbraw/zinc/24/44/88/608244488.db2.gz CVPSQXBDFQYCJH-SNVBAGLBSA-N -1 3 395.445 -0.695 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCCC(N)=O ZINC000824640207 608244487 /nfs/dbraw/zinc/24/44/87/608244487.db2.gz CVPSQXBDFQYCJH-SNVBAGLBSA-N -1 3 395.445 -0.695 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(=O)CC1 ZINC000824640220 609422631 /nfs/dbraw/zinc/42/26/31/609422631.db2.gz DFKQRZNFKIXJIC-JTQLQIEISA-N -1 3 378.414 -0.275 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(=O)CC1 ZINC000824640220 609422630 /nfs/dbraw/zinc/42/26/30/609422630.db2.gz DFKQRZNFKIXJIC-JTQLQIEISA-N -1 3 378.414 -0.275 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC(=O)CC1 ZINC000824640221 609422589 /nfs/dbraw/zinc/42/25/89/609422589.db2.gz DFKQRZNFKIXJIC-SNVBAGLBSA-N -1 3 378.414 -0.275 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC(=O)CC1 ZINC000824640221 609422588 /nfs/dbraw/zinc/42/25/88/609422588.db2.gz DFKQRZNFKIXJIC-SNVBAGLBSA-N -1 3 378.414 -0.275 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CCO)C1CC1 ZINC000824640258 607940585 /nfs/dbraw/zinc/94/05/85/607940585.db2.gz FGFSYZASPYYREL-HZMBPMFUSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CCO)C1CC1 ZINC000824640258 607940584 /nfs/dbraw/zinc/94/05/84/607940584.db2.gz FGFSYZASPYYREL-HZMBPMFUSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CCO)C1CC1 ZINC000824640259 607940525 /nfs/dbraw/zinc/94/05/25/607940525.db2.gz FGFSYZASPYYREL-IINYFYTJSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CCO)C1CC1 ZINC000824640259 607940524 /nfs/dbraw/zinc/94/05/24/607940524.db2.gz FGFSYZASPYYREL-IINYFYTJSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CCO)C1CC1 ZINC000824640260 607940797 /nfs/dbraw/zinc/94/07/97/607940797.db2.gz FGFSYZASPYYREL-QMTHXVAHSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CCO)C1CC1 ZINC000824640260 607940796 /nfs/dbraw/zinc/94/07/96/607940796.db2.gz FGFSYZASPYYREL-QMTHXVAHSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CCO)C1CC1 ZINC000824640261 607940762 /nfs/dbraw/zinc/94/07/62/607940762.db2.gz FGFSYZASPYYREL-YGRLFVJLSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CCO)C1CC1 ZINC000824640261 607940761 /nfs/dbraw/zinc/94/07/61/607940761.db2.gz FGFSYZASPYYREL-YGRLFVJLSA-N -1 3 394.457 -0.189 20 0 GBADHM CC(C)[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640294 609394960 /nfs/dbraw/zinc/39/49/60/609394960.db2.gz FWRJSSIZTLBXRA-GXFFZTMASA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640294 609394959 /nfs/dbraw/zinc/39/49/59/609394959.db2.gz FWRJSSIZTLBXRA-GXFFZTMASA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640295 609395020 /nfs/dbraw/zinc/39/50/20/609395020.db2.gz FWRJSSIZTLBXRA-ZWNOBZJWSA-N -1 3 382.446 -0.333 20 0 GBADHM CC(C)[C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640295 609395017 /nfs/dbraw/zinc/39/50/17/609395017.db2.gz FWRJSSIZTLBXRA-ZWNOBZJWSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@]1(C)CCOC1 ZINC000824640328 607913913 /nfs/dbraw/zinc/91/39/13/607913913.db2.gz GKTCRNWOCDBLKO-BMIGLBTASA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@]1(C)CCOC1 ZINC000824640328 607913912 /nfs/dbraw/zinc/91/39/12/607913912.db2.gz GKTCRNWOCDBLKO-BMIGLBTASA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@]1(C)CCOC1 ZINC000824640329 607914024 /nfs/dbraw/zinc/91/40/24/607914024.db2.gz GKTCRNWOCDBLKO-BONVTDFDSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@]1(C)CCOC1 ZINC000824640329 607914023 /nfs/dbraw/zinc/91/40/23/607914023.db2.gz GKTCRNWOCDBLKO-BONVTDFDSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@]1(C)CCOC1 ZINC000824640330 607914054 /nfs/dbraw/zinc/91/40/54/607914054.db2.gz GKTCRNWOCDBLKO-MEBBXXQBSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@]1(C)CCOC1 ZINC000824640330 607914053 /nfs/dbraw/zinc/91/40/53/607914053.db2.gz GKTCRNWOCDBLKO-MEBBXXQBSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@]1(C)CCOC1 ZINC000824640331 607913940 /nfs/dbraw/zinc/91/39/40/607913940.db2.gz GKTCRNWOCDBLKO-ZUZCIYMTSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@]1(C)CCOC1 ZINC000824640331 607913939 /nfs/dbraw/zinc/91/39/39/607913939.db2.gz GKTCRNWOCDBLKO-ZUZCIYMTSA-N -1 3 380.430 -0.171 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CC(=O)N(C)C1 ZINC000824640358 608186595 /nfs/dbraw/zinc/18/65/95/608186595.db2.gz HHCZCXWNXTWCLK-GXSJLCMTSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CC(=O)N(C)C1 ZINC000824640358 608186594 /nfs/dbraw/zinc/18/65/94/608186594.db2.gz HHCZCXWNXTWCLK-GXSJLCMTSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CC(=O)N(C)C1 ZINC000824640359 608186724 /nfs/dbraw/zinc/18/67/24/608186724.db2.gz HHCZCXWNXTWCLK-KOLCDFICSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CC(=O)N(C)C1 ZINC000824640359 608186722 /nfs/dbraw/zinc/18/67/22/608186722.db2.gz HHCZCXWNXTWCLK-KOLCDFICSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@@H]1CC(=O)N(C)C1 ZINC000824640360 608186757 /nfs/dbraw/zinc/18/67/57/608186757.db2.gz HHCZCXWNXTWCLK-MWLCHTKSSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@@H]1CC(=O)N(C)C1 ZINC000824640360 608186756 /nfs/dbraw/zinc/18/67/56/608186756.db2.gz HHCZCXWNXTWCLK-MWLCHTKSSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)O[C@H]1CC(=O)N(C)C1 ZINC000824640361 608186488 /nfs/dbraw/zinc/18/64/88/608186488.db2.gz HHCZCXWNXTWCLK-ONGXEEELSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)O[C@H]1CC(=O)N(C)C1 ZINC000824640361 608186484 /nfs/dbraw/zinc/18/64/84/608186484.db2.gz HHCZCXWNXTWCLK-ONGXEEELSA-N -1 3 394.413 -0.693 20 0 GBADHM C[C@@H](O)C(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640362 609415598 /nfs/dbraw/zinc/41/55/98/609415598.db2.gz HHWCVCZOGWBMSA-NXEZZACHSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](O)C(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640362 609415595 /nfs/dbraw/zinc/41/55/95/609415595.db2.gz HHWCVCZOGWBMSA-NXEZZACHSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](O)C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640363 609415398 /nfs/dbraw/zinc/41/53/98/609415398.db2.gz HHWCVCZOGWBMSA-UWVGGRQHSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](O)C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640363 609415396 /nfs/dbraw/zinc/41/53/96/609415396.db2.gz HHWCVCZOGWBMSA-UWVGGRQHSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](O)C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640364 609415262 /nfs/dbraw/zinc/41/52/62/609415262.db2.gz HHWCVCZOGWBMSA-VHSXEESVSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](O)C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640364 609415261 /nfs/dbraw/zinc/41/52/61/609415261.db2.gz HHWCVCZOGWBMSA-VHSXEESVSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)[C@H](C)O ZINC000824640365 609415850 /nfs/dbraw/zinc/41/58/50/609415850.db2.gz HHWCVCZOGWBMSA-ZJUUUORDSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)[C@H](C)O ZINC000824640365 609415848 /nfs/dbraw/zinc/41/58/48/609415848.db2.gz HHWCVCZOGWBMSA-ZJUUUORDSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)CCO ZINC000824640496 609392558 /nfs/dbraw/zinc/39/25/58/609392558.db2.gz JYHXEECNWTWMMA-JTQLQIEISA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)CCO ZINC000824640496 609392557 /nfs/dbraw/zinc/39/25/57/609392557.db2.gz JYHXEECNWTWMMA-JTQLQIEISA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC(C)(C)CCO ZINC000824640497 609392134 /nfs/dbraw/zinc/39/21/34/609392134.db2.gz JYHXEECNWTWMMA-SNVBAGLBSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC(C)(C)CCO ZINC000824640497 609392132 /nfs/dbraw/zinc/39/21/32/609392132.db2.gz JYHXEECNWTWMMA-SNVBAGLBSA-N -1 3 382.446 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000824640498 607942070 /nfs/dbraw/zinc/94/20/70/607942070.db2.gz JYQPTFPCMWLONC-BPNCWPANSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000824640498 607942069 /nfs/dbraw/zinc/94/20/69/607942069.db2.gz JYQPTFPCMWLONC-BPNCWPANSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000824640499 607942208 /nfs/dbraw/zinc/94/22/08/607942208.db2.gz JYQPTFPCMWLONC-GDLCADMTSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000824640499 607942207 /nfs/dbraw/zinc/94/22/07/607942207.db2.gz JYQPTFPCMWLONC-GDLCADMTSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000824640500 607942372 /nfs/dbraw/zinc/94/23/72/607942372.db2.gz JYQPTFPCMWLONC-LEWSCRJBSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCCC[C@H]1O ZINC000824640500 607942371 /nfs/dbraw/zinc/94/23/71/607942371.db2.gz JYQPTFPCMWLONC-LEWSCRJBSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000824640501 607942233 /nfs/dbraw/zinc/94/22/33/607942233.db2.gz JYQPTFPCMWLONC-ZLKJLUDKSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000824640501 607942232 /nfs/dbraw/zinc/94/22/32/607942232.db2.gz JYQPTFPCMWLONC-ZLKJLUDKSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(=O)C1CC1 ZINC000824640524 946884962 /nfs/dbraw/zinc/88/49/62/946884962.db2.gz KGRCEYRASYOKKH-SECBINFHSA-N -1 3 378.414 -0.371 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(=O)C1CC1 ZINC000824640524 946884950 /nfs/dbraw/zinc/88/49/50/946884950.db2.gz KGRCEYRASYOKKH-SECBINFHSA-N -1 3 378.414 -0.371 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC(=O)C1CC1 ZINC000824640525 946884611 /nfs/dbraw/zinc/88/46/11/946884611.db2.gz KGRCEYRASYOKKH-VIFPVBQESA-N -1 3 378.414 -0.371 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC(=O)C1CC1 ZINC000824640525 946884602 /nfs/dbraw/zinc/88/46/02/946884602.db2.gz KGRCEYRASYOKKH-VIFPVBQESA-N -1 3 378.414 -0.371 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(CO)CCCC1 ZINC000824640528 946884161 /nfs/dbraw/zinc/88/41/61/946884161.db2.gz KIIHVXWZMKSUQX-LLVKDONJSA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(CO)CCCC1 ZINC000824640528 946884154 /nfs/dbraw/zinc/88/41/54/946884154.db2.gz KIIHVXWZMKSUQX-LLVKDONJSA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(CO)CCCC1 ZINC000824640529 946884485 /nfs/dbraw/zinc/88/44/85/946884485.db2.gz KIIHVXWZMKSUQX-NSHDSACASA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(CO)CCCC1 ZINC000824640529 946884479 /nfs/dbraw/zinc/88/44/79/946884479.db2.gz KIIHVXWZMKSUQX-NSHDSACASA-N -1 3 394.457 -0.045 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000824640558 607808356 /nfs/dbraw/zinc/80/83/56/607808356.db2.gz LBORGSFXHDTJRT-DRZSPHRISA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000824640558 607808355 /nfs/dbraw/zinc/80/83/55/607808355.db2.gz LBORGSFXHDTJRT-DRZSPHRISA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000824640559 607808603 /nfs/dbraw/zinc/80/86/03/607808603.db2.gz LBORGSFXHDTJRT-RAIGVLPGSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000824640559 607808602 /nfs/dbraw/zinc/80/86/02/607808602.db2.gz LBORGSFXHDTJRT-RAIGVLPGSA-N -1 3 394.457 -0.047 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@](C)(CO)C1CC1 ZINC000824640632 607994047 /nfs/dbraw/zinc/99/40/47/607994047.db2.gz MQBIUVBABSCFLW-HWPZZCPQSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@](C)(CO)C1CC1 ZINC000824640632 607994046 /nfs/dbraw/zinc/99/40/46/607994046.db2.gz MQBIUVBABSCFLW-HWPZZCPQSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@](C)(CO)C1CC1 ZINC000824640633 607993998 /nfs/dbraw/zinc/99/39/98/607993998.db2.gz MQBIUVBABSCFLW-MGPLVRAMSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@](C)(CO)C1CC1 ZINC000824640633 607993997 /nfs/dbraw/zinc/99/39/97/607993997.db2.gz MQBIUVBABSCFLW-MGPLVRAMSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@](C)(CO)C1CC1 ZINC000824640634 607994111 /nfs/dbraw/zinc/99/41/11/607994111.db2.gz MQBIUVBABSCFLW-QFYYESIMSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@](C)(CO)C1CC1 ZINC000824640634 607994110 /nfs/dbraw/zinc/99/41/10/607994110.db2.gz MQBIUVBABSCFLW-QFYYESIMSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@](C)(CO)C1CC1 ZINC000824640635 607994170 /nfs/dbraw/zinc/99/41/70/607994170.db2.gz MQBIUVBABSCFLW-QLJPJBMISA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@](C)(CO)C1CC1 ZINC000824640635 607994169 /nfs/dbraw/zinc/99/41/69/607994169.db2.gz MQBIUVBABSCFLW-QLJPJBMISA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC(CCO)C1 ZINC000824640638 946884287 /nfs/dbraw/zinc/88/42/87/946884287.db2.gz MQNCFQRJHVDFMM-JTQLQIEISA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC(CCO)C1 ZINC000824640638 946884272 /nfs/dbraw/zinc/88/42/72/946884272.db2.gz MQNCFQRJHVDFMM-JTQLQIEISA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC(CCO)C1 ZINC000824640639 946883155 /nfs/dbraw/zinc/88/31/55/946883155.db2.gz MQNCFQRJHVDFMM-SNVBAGLBSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC(CCO)C1 ZINC000824640639 946883142 /nfs/dbraw/zinc/88/31/42/946883142.db2.gz MQNCFQRJHVDFMM-SNVBAGLBSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C(N)=O)CCC1 ZINC000824640660 607428176 /nfs/dbraw/zinc/42/81/76/607428176.db2.gz MZXWVGTWGZJJGR-SECBINFHSA-N -1 3 393.429 -0.942 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C(N)=O)CCC1 ZINC000824640660 607428175 /nfs/dbraw/zinc/42/81/75/607428175.db2.gz MZXWVGTWGZJJGR-SECBINFHSA-N -1 3 393.429 -0.942 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(C(N)=O)CCC1 ZINC000824640661 607428136 /nfs/dbraw/zinc/42/81/36/607428136.db2.gz MZXWVGTWGZJJGR-VIFPVBQESA-N -1 3 393.429 -0.942 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(C(N)=O)CCC1 ZINC000824640661 607428135 /nfs/dbraw/zinc/42/81/35/607428135.db2.gz MZXWVGTWGZJJGR-VIFPVBQESA-N -1 3 393.429 -0.942 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(CCO)CC1CC1 ZINC000824640668 607942939 /nfs/dbraw/zinc/94/29/39/607942939.db2.gz NCHAAUWEIXBREE-LLVKDONJSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(CCO)CC1CC1 ZINC000824640668 607942938 /nfs/dbraw/zinc/94/29/38/607942938.db2.gz NCHAAUWEIXBREE-LLVKDONJSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(CCO)CC1CC1 ZINC000824640669 607942745 /nfs/dbraw/zinc/94/27/45/607942745.db2.gz NCHAAUWEIXBREE-NSHDSACASA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(CCO)CC1CC1 ZINC000824640669 607942744 /nfs/dbraw/zinc/94/27/44/607942744.db2.gz NCHAAUWEIXBREE-NSHDSACASA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(CCO)C1CC1 ZINC000824640764 607708477 /nfs/dbraw/zinc/70/84/77/607708477.db2.gz OFZORGMKADVKPK-JTQLQIEISA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(CCO)C1CC1 ZINC000824640764 607708475 /nfs/dbraw/zinc/70/84/75/607708475.db2.gz OFZORGMKADVKPK-JTQLQIEISA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N(CCO)C1CC1 ZINC000824640765 607707994 /nfs/dbraw/zinc/70/79/94/607707994.db2.gz OFZORGMKADVKPK-SNVBAGLBSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N(CCO)C1CC1 ZINC000824640765 607707993 /nfs/dbraw/zinc/70/79/93/607707993.db2.gz OFZORGMKADVKPK-SNVBAGLBSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccn(C)n1 ZINC000824640772 608246793 /nfs/dbraw/zinc/24/67/93/608246793.db2.gz OHQRFXIABVJOGO-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccn(C)n1 ZINC000824640772 608246792 /nfs/dbraw/zinc/24/67/92/608246792.db2.gz OHQRFXIABVJOGO-JTQLQIEISA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCc1ccn(C)n1 ZINC000824640773 608246830 /nfs/dbraw/zinc/24/68/30/608246830.db2.gz OHQRFXIABVJOGO-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCc1ccn(C)n1 ZINC000824640773 608246829 /nfs/dbraw/zinc/24/68/29/608246829.db2.gz OHQRFXIABVJOGO-SNVBAGLBSA-N -1 3 390.429 -0.417 20 0 GBADHM C[C@@H](CO)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640792 607941216 /nfs/dbraw/zinc/94/12/16/607941216.db2.gz OZBGLRFIOHKKGG-AXFHLTTASA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](CO)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640792 607941215 /nfs/dbraw/zinc/94/12/15/607941215.db2.gz OZBGLRFIOHKKGG-AXFHLTTASA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](CO)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640793 607941308 /nfs/dbraw/zinc/94/13/08/607941308.db2.gz OZBGLRFIOHKKGG-DCAQKATOSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](CO)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640793 607941307 /nfs/dbraw/zinc/94/13/07/607941307.db2.gz OZBGLRFIOHKKGG-DCAQKATOSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)CO ZINC000824640794 607941336 /nfs/dbraw/zinc/94/13/36/607941336.db2.gz OZBGLRFIOHKKGG-MXWKQRLJSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](C)CO ZINC000824640794 607941335 /nfs/dbraw/zinc/94/13/35/607941335.db2.gz OZBGLRFIOHKKGG-MXWKQRLJSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@H](CO)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824640795 607941157 /nfs/dbraw/zinc/94/11/57/607941157.db2.gz OZBGLRFIOHKKGG-VWYCJHECSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@H](CO)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824640795 607941156 /nfs/dbraw/zinc/94/11/56/607941156.db2.gz OZBGLRFIOHKKGG-VWYCJHECSA-N -1 3 382.446 -0.333 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cn(C)nn1 ZINC000824640825 607994062 /nfs/dbraw/zinc/99/40/62/607994062.db2.gz PWALIQLVZFYQIB-SECBINFHSA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cn(C)nn1 ZINC000824640825 607994061 /nfs/dbraw/zinc/99/40/61/607994061.db2.gz PWALIQLVZFYQIB-SECBINFHSA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OCc1cn(C)nn1 ZINC000824640826 607994035 /nfs/dbraw/zinc/99/40/35/607994035.db2.gz PWALIQLVZFYQIB-VIFPVBQESA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OCc1cn(C)nn1 ZINC000824640826 607994034 /nfs/dbraw/zinc/99/40/34/607994034.db2.gz PWALIQLVZFYQIB-VIFPVBQESA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCOCCO ZINC000824640924 609169813 /nfs/dbraw/zinc/16/98/13/609169813.db2.gz PZKARPUHISZCEN-LLVKDONJSA-N -1 3 398.445 -0.951 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCOCCO ZINC000824640924 609169811 /nfs/dbraw/zinc/16/98/11/609169811.db2.gz PZKARPUHISZCEN-LLVKDONJSA-N -1 3 398.445 -0.951 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCCOCCO ZINC000824640926 609169769 /nfs/dbraw/zinc/16/97/69/609169769.db2.gz PZKARPUHISZCEN-NSHDSACASA-N -1 3 398.445 -0.951 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCCOCCO ZINC000824640926 609169768 /nfs/dbraw/zinc/16/97/68/609169768.db2.gz PZKARPUHISZCEN-NSHDSACASA-N -1 3 398.445 -0.951 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCn1ccnc1 ZINC000824640927 608254201 /nfs/dbraw/zinc/25/42/01/608254201.db2.gz QAERKMKKLHKQOW-LLVKDONJSA-N -1 3 391.413 -0.027 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCn1ccnc1 ZINC000824640927 608254200 /nfs/dbraw/zinc/25/42/00/608254200.db2.gz QAERKMKKLHKQOW-LLVKDONJSA-N -1 3 391.413 -0.027 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCCn1ccnc1 ZINC000824640928 608254215 /nfs/dbraw/zinc/25/42/15/608254215.db2.gz QAERKMKKLHKQOW-NSHDSACASA-N -1 3 391.413 -0.027 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCCn1ccnc1 ZINC000824640928 608254214 /nfs/dbraw/zinc/25/42/14/608254214.db2.gz QAERKMKKLHKQOW-NSHDSACASA-N -1 3 391.413 -0.027 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(CO)CCC1 ZINC000824640964 608473453 /nfs/dbraw/zinc/47/34/53/608473453.db2.gz QHWUUZFNNNDEEB-JTQLQIEISA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(CO)CCC1 ZINC000824640964 608473451 /nfs/dbraw/zinc/47/34/51/608473451.db2.gz QHWUUZFNNNDEEB-JTQLQIEISA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NC1(CO)CCC1 ZINC000824640965 608473063 /nfs/dbraw/zinc/47/30/63/608473063.db2.gz QHWUUZFNNNDEEB-SNVBAGLBSA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NC1(CO)CCC1 ZINC000824640965 608473062 /nfs/dbraw/zinc/47/30/62/608473062.db2.gz QHWUUZFNNNDEEB-SNVBAGLBSA-N -1 3 380.430 -0.435 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCO[C@@H]1C ZINC000824641059 608157117 /nfs/dbraw/zinc/15/71/17/608157117.db2.gz RUKJFAQIVLDICA-CWSCBRNRSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@@H]1C ZINC000824641059 608157115 /nfs/dbraw/zinc/15/71/15/608157115.db2.gz RUKJFAQIVLDICA-CWSCBRNRSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCO[C@H]1C ZINC000824641060 608157258 /nfs/dbraw/zinc/15/72/58/608157258.db2.gz RUKJFAQIVLDICA-KWBADKCTSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCO[C@H]1C ZINC000824641060 608157257 /nfs/dbraw/zinc/15/72/57/608157257.db2.gz RUKJFAQIVLDICA-KWBADKCTSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000824641061 608157253 /nfs/dbraw/zinc/15/72/53/608157253.db2.gz RUKJFAQIVLDICA-OPQQBVKSSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@@H]1C ZINC000824641061 608157251 /nfs/dbraw/zinc/15/72/51/608157251.db2.gz RUKJFAQIVLDICA-OPQQBVKSSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@H]1C ZINC000824641063 608157106 /nfs/dbraw/zinc/15/71/06/608157106.db2.gz RUKJFAQIVLDICA-OUJBWJOFSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@H]1C ZINC000824641063 608157104 /nfs/dbraw/zinc/15/71/04/608157104.db2.gz RUKJFAQIVLDICA-OUJBWJOFSA-N -1 3 380.430 -0.173 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](CCO)C1 ZINC000824641146 607994732 /nfs/dbraw/zinc/99/47/32/607994732.db2.gz SBRBEPCPWKLGOO-NEPJUHHUSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](CCO)C1 ZINC000824641146 607994731 /nfs/dbraw/zinc/99/47/31/607994731.db2.gz SBRBEPCPWKLGOO-NEPJUHHUSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@H](CCO)C1 ZINC000824641147 607994666 /nfs/dbraw/zinc/99/46/66/607994666.db2.gz SBRBEPCPWKLGOO-NWDGAFQWSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@H](CCO)C1 ZINC000824641147 607994665 /nfs/dbraw/zinc/99/46/65/607994665.db2.gz SBRBEPCPWKLGOO-NWDGAFQWSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](CCO)C1 ZINC000824641148 607994669 /nfs/dbraw/zinc/99/46/69/607994669.db2.gz SBRBEPCPWKLGOO-RYUDHWBXSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](CCO)C1 ZINC000824641148 607994668 /nfs/dbraw/zinc/99/46/68/607994668.db2.gz SBRBEPCPWKLGOO-RYUDHWBXSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@H](CCO)C1 ZINC000824641149 607994518 /nfs/dbraw/zinc/99/45/18/607994518.db2.gz SBRBEPCPWKLGOO-VXGBXAGGSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@H](CCO)C1 ZINC000824641149 607994517 /nfs/dbraw/zinc/99/45/17/607994517.db2.gz SBRBEPCPWKLGOO-VXGBXAGGSA-N -1 3 394.457 -0.236 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ncon1 ZINC000824641170 609395072 /nfs/dbraw/zinc/39/50/72/609395072.db2.gz SOOCVENZEBBDJA-BDAKNGLRSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ncon1 ZINC000824641170 609395069 /nfs/dbraw/zinc/39/50/69/609395069.db2.gz SOOCVENZEBBDJA-BDAKNGLRSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ncon1 ZINC000824641171 609394749 /nfs/dbraw/zinc/39/47/49/609394749.db2.gz SOOCVENZEBBDJA-DTWKUNHWSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ncon1 ZINC000824641171 609394747 /nfs/dbraw/zinc/39/47/47/609394747.db2.gz SOOCVENZEBBDJA-DTWKUNHWSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ncon1 ZINC000824641172 609394935 /nfs/dbraw/zinc/39/49/35/609394935.db2.gz SOOCVENZEBBDJA-IUCAKERBSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ncon1 ZINC000824641172 609394933 /nfs/dbraw/zinc/39/49/33/609394933.db2.gz SOOCVENZEBBDJA-IUCAKERBSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)c1ncon1 ZINC000824641173 609394832 /nfs/dbraw/zinc/39/48/32/609394832.db2.gz SOOCVENZEBBDJA-RKDXNWHRSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)c1ncon1 ZINC000824641173 609394829 /nfs/dbraw/zinc/39/48/29/609394829.db2.gz SOOCVENZEBBDJA-RKDXNWHRSA-N -1 3 392.401 -0.206 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](CO)C1 ZINC000824641213 946883714 /nfs/dbraw/zinc/88/37/14/946883714.db2.gz TWZSBXVFJXBVDZ-GHMZBOCLSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](CO)C1 ZINC000824641213 946883704 /nfs/dbraw/zinc/88/37/04/946883704.db2.gz TWZSBXVFJXBVDZ-GHMZBOCLSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@H](CO)C1 ZINC000824641214 946884919 /nfs/dbraw/zinc/88/49/19/946884919.db2.gz TWZSBXVFJXBVDZ-MNOVXSKESA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@H](CO)C1 ZINC000824641214 946884906 /nfs/dbraw/zinc/88/49/06/946884906.db2.gz TWZSBXVFJXBVDZ-MNOVXSKESA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@H](CO)C1 ZINC000824641215 946883332 /nfs/dbraw/zinc/88/33/32/946883332.db2.gz TWZSBXVFJXBVDZ-QWRGUYRKSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@H](CO)C1 ZINC000824641215 946883315 /nfs/dbraw/zinc/88/33/15/946883315.db2.gz TWZSBXVFJXBVDZ-QWRGUYRKSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CC[C@@H](CO)C1 ZINC000824641216 946884461 /nfs/dbraw/zinc/88/44/61/946884461.db2.gz TWZSBXVFJXBVDZ-WDEREUQCSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CC[C@@H](CO)C1 ZINC000824641216 946884452 /nfs/dbraw/zinc/88/44/52/946884452.db2.gz TWZSBXVFJXBVDZ-WDEREUQCSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H](O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824641372 609175298 /nfs/dbraw/zinc/17/52/98/609175298.db2.gz VCLOUNJWHQDDOA-DMDPSCGWSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@@H](O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824641372 609175297 /nfs/dbraw/zinc/17/52/97/609175297.db2.gz VCLOUNJWHQDDOA-DMDPSCGWSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@H](O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824641373 609175851 /nfs/dbraw/zinc/17/58/51/609175851.db2.gz VCLOUNJWHQDDOA-GMXVVIOVSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@H](O)[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824641373 609175850 /nfs/dbraw/zinc/17/58/50/609175850.db2.gz VCLOUNJWHQDDOA-GMXVVIOVSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@H](O)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824641374 609175314 /nfs/dbraw/zinc/17/53/14/609175314.db2.gz VCLOUNJWHQDDOA-GVXVVHGQSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@H](O)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824641374 609175312 /nfs/dbraw/zinc/17/53/12/609175312.db2.gz VCLOUNJWHQDDOA-GVXVVHGQSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@@H](O)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824641375 609175560 /nfs/dbraw/zinc/17/55/60/609175560.db2.gz VCLOUNJWHQDDOA-LOWVWBTDSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@@H](O)[C@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824641375 609175558 /nfs/dbraw/zinc/17/55/58/609175558.db2.gz VCLOUNJWHQDDOA-LOWVWBTDSA-N -1 3 394.457 -0.237 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@](C)(O)C1 ZINC000824641376 608384950 /nfs/dbraw/zinc/38/49/50/608384950.db2.gz VCPWBTXFUQHUGZ-BDJLRTHQSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@](C)(O)C1 ZINC000824641376 608384949 /nfs/dbraw/zinc/38/49/49/608384949.db2.gz VCPWBTXFUQHUGZ-BDJLRTHQSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@](C)(O)C1 ZINC000824641377 608384661 /nfs/dbraw/zinc/38/46/61/608384661.db2.gz VCPWBTXFUQHUGZ-BZNIZROVSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@](C)(O)C1 ZINC000824641377 608384659 /nfs/dbraw/zinc/38/46/59/608384659.db2.gz VCPWBTXFUQHUGZ-BZNIZROVSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@](C)(O)C1 ZINC000824641378 608385028 /nfs/dbraw/zinc/38/50/28/608385028.db2.gz VCPWBTXFUQHUGZ-MEDUHNTESA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@](C)(O)C1 ZINC000824641378 608385026 /nfs/dbraw/zinc/38/50/26/608385026.db2.gz VCPWBTXFUQHUGZ-MEDUHNTESA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@](C)(O)C1 ZINC000824641379 608384826 /nfs/dbraw/zinc/38/48/26/608384826.db2.gz VCPWBTXFUQHUGZ-ZBEGNZNMSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@](C)(O)C1 ZINC000824641379 608384824 /nfs/dbraw/zinc/38/48/24/608384824.db2.gz VCPWBTXFUQHUGZ-ZBEGNZNMSA-N -1 3 394.457 -0.093 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CO)CC1CC1 ZINC000824641398 608170058 /nfs/dbraw/zinc/17/00/58/608170058.db2.gz VSKBYSOVVNDZES-GWCFXTLKSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CO)CC1CC1 ZINC000824641398 608170056 /nfs/dbraw/zinc/17/00/56/608170056.db2.gz VSKBYSOVVNDZES-GWCFXTLKSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CO)CC1CC1 ZINC000824641399 608170142 /nfs/dbraw/zinc/17/01/42/608170142.db2.gz VSKBYSOVVNDZES-GXFFZTMASA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CO)CC1CC1 ZINC000824641399 608170139 /nfs/dbraw/zinc/17/01/39/608170139.db2.gz VSKBYSOVVNDZES-GXFFZTMASA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CO)CC1CC1 ZINC000824641400 608170181 /nfs/dbraw/zinc/17/01/81/608170181.db2.gz VSKBYSOVVNDZES-MFKMUULPSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CO)CC1CC1 ZINC000824641400 608170179 /nfs/dbraw/zinc/17/01/79/608170179.db2.gz VSKBYSOVVNDZES-MFKMUULPSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CO)CC1CC1 ZINC000824641401 608171846 /nfs/dbraw/zinc/17/18/46/608171846.db2.gz VSKBYSOVVNDZES-ZWNOBZJWSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CO)CC1CC1 ZINC000824641401 608171845 /nfs/dbraw/zinc/17/18/45/608171845.db2.gz VSKBYSOVVNDZES-ZWNOBZJWSA-N -1 3 394.457 -0.189 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000824641557 608591447 /nfs/dbraw/zinc/59/14/47/608591447.db2.gz WVVBYTMAFASMLO-GBIKHYSHSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000824641557 608591446 /nfs/dbraw/zinc/59/14/46/608591446.db2.gz WVVBYTMAFASMLO-GBIKHYSHSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000824641558 608590986 /nfs/dbraw/zinc/59/09/86/608590986.db2.gz WVVBYTMAFASMLO-KWBADKCTSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000824641558 608590983 /nfs/dbraw/zinc/59/09/83/608590983.db2.gz WVVBYTMAFASMLO-KWBADKCTSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000824641559 608591393 /nfs/dbraw/zinc/59/13/93/608591393.db2.gz WVVBYTMAFASMLO-NRUUGDAUSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000824641559 608591392 /nfs/dbraw/zinc/59/13/92/608591392.db2.gz WVVBYTMAFASMLO-NRUUGDAUSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000824641560 608591433 /nfs/dbraw/zinc/59/14/33/608591433.db2.gz WVVBYTMAFASMLO-OUJBWJOFSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000824641560 608591432 /nfs/dbraw/zinc/59/14/32/608591432.db2.gz WVVBYTMAFASMLO-OUJBWJOFSA-N -1 3 380.430 -0.627 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cn(C)nn1 ZINC000824641569 607994161 /nfs/dbraw/zinc/99/41/61/607994161.db2.gz WYWYSLLVOAHWRV-SECBINFHSA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cn(C)nn1 ZINC000824641569 607994160 /nfs/dbraw/zinc/99/41/60/607994160.db2.gz WYWYSLLVOAHWRV-SECBINFHSA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCc1cn(C)nn1 ZINC000824641570 607994099 /nfs/dbraw/zinc/99/40/99/607994099.db2.gz WYWYSLLVOAHWRV-VIFPVBQESA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCc1cn(C)nn1 ZINC000824641570 607994098 /nfs/dbraw/zinc/99/40/98/607994098.db2.gz WYWYSLLVOAHWRV-VIFPVBQESA-N -1 3 392.401 -0.595 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccon1 ZINC000824641589 608818968 /nfs/dbraw/zinc/81/89/68/608818968.db2.gz XDVDSPSLLAKTEO-JTQLQIEISA-N -1 3 391.413 -0.120 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccon1 ZINC000824641589 608818965 /nfs/dbraw/zinc/81/89/65/608818965.db2.gz XDVDSPSLLAKTEO-JTQLQIEISA-N -1 3 391.413 -0.120 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCc1ccon1 ZINC000824641590 608819210 /nfs/dbraw/zinc/81/92/10/608819210.db2.gz XDVDSPSLLAKTEO-SNVBAGLBSA-N -1 3 391.413 -0.120 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCc1ccon1 ZINC000824641590 608819207 /nfs/dbraw/zinc/81/92/07/608819207.db2.gz XDVDSPSLLAKTEO-SNVBAGLBSA-N -1 3 391.413 -0.120 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCOC(N)=O ZINC000824641769 946882714 /nfs/dbraw/zinc/88/27/14/946882714.db2.gz YQTLCIPRNUBKTK-MRVPVSSYSA-N -1 3 383.390 -0.841 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCOC(N)=O ZINC000824641769 946882706 /nfs/dbraw/zinc/88/27/06/946882706.db2.gz YQTLCIPRNUBKTK-MRVPVSSYSA-N -1 3 383.390 -0.841 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCCOC(N)=O ZINC000824641770 946883191 /nfs/dbraw/zinc/88/31/91/946883191.db2.gz YQTLCIPRNUBKTK-QMMMGPOBSA-N -1 3 383.390 -0.841 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCCOC(N)=O ZINC000824641770 946883178 /nfs/dbraw/zinc/88/31/78/946883178.db2.gz YQTLCIPRNUBKTK-QMMMGPOBSA-N -1 3 383.390 -0.841 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C)OCCO1 ZINC000824641783 608199799 /nfs/dbraw/zinc/19/97/99/608199799.db2.gz YYKARPMFATVQNY-JTQLQIEISA-N -1 3 396.429 -0.587 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C)OCCO1 ZINC000824641783 608199798 /nfs/dbraw/zinc/19/97/98/608199798.db2.gz YYKARPMFATVQNY-JTQLQIEISA-N -1 3 396.429 -0.587 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C)OCCO1 ZINC000824641784 608199400 /nfs/dbraw/zinc/19/94/00/608199400.db2.gz YYKARPMFATVQNY-SNVBAGLBSA-N -1 3 396.429 -0.587 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C)OCCO1 ZINC000824641784 608199398 /nfs/dbraw/zinc/19/93/98/608199398.db2.gz YYKARPMFATVQNY-SNVBAGLBSA-N -1 3 396.429 -0.587 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC1(CO)COC1 ZINC000824641819 608116526 /nfs/dbraw/zinc/11/65/26/608116526.db2.gz ZNWZRBLCZMBWAX-JTQLQIEISA-N -1 3 397.413 -0.914 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC1(CO)COC1 ZINC000824641819 608116525 /nfs/dbraw/zinc/11/65/25/608116525.db2.gz ZNWZRBLCZMBWAX-JTQLQIEISA-N -1 3 397.413 -0.914 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OCC1(CO)COC1 ZINC000824641820 608116449 /nfs/dbraw/zinc/11/64/49/608116449.db2.gz ZNWZRBLCZMBWAX-SNVBAGLBSA-N -1 3 397.413 -0.914 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OCC1(CO)COC1 ZINC000824641820 608116448 /nfs/dbraw/zinc/11/64/48/608116448.db2.gz ZNWZRBLCZMBWAX-SNVBAGLBSA-N -1 3 397.413 -0.914 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H]1CO ZINC000824641823 607996051 /nfs/dbraw/zinc/99/60/51/607996051.db2.gz ZONKWBMDECBICZ-CMPLNLGQSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H]1CO ZINC000824641823 607996050 /nfs/dbraw/zinc/99/60/50/607996050.db2.gz ZONKWBMDECBICZ-CMPLNLGQSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCC[C@@H]1CO ZINC000824641824 607996029 /nfs/dbraw/zinc/99/60/29/607996029.db2.gz ZONKWBMDECBICZ-ZYHUDNBSSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCC[C@@H]1CO ZINC000824641824 607996028 /nfs/dbraw/zinc/99/60/28/607996028.db2.gz ZONKWBMDECBICZ-ZYHUDNBSSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CO)C1CC1 ZINC000824641825 608171358 /nfs/dbraw/zinc/17/13/58/608171358.db2.gz ZPINHFYPHHIKLI-NOZJJQNGSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CO)C1CC1 ZINC000824641825 608171357 /nfs/dbraw/zinc/17/13/57/608171357.db2.gz ZPINHFYPHHIKLI-NOZJJQNGSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CO)C1CC1 ZINC000824641826 608171386 /nfs/dbraw/zinc/17/13/86/608171386.db2.gz ZPINHFYPHHIKLI-RNCFNFMXSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CO)C1CC1 ZINC000824641826 608171384 /nfs/dbraw/zinc/17/13/84/608171384.db2.gz ZPINHFYPHHIKLI-RNCFNFMXSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](CO)C1CC1 ZINC000824641827 608171705 /nfs/dbraw/zinc/17/17/05/608171705.db2.gz ZPINHFYPHHIKLI-TVQRCGJNSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](CO)C1CC1 ZINC000824641827 608171704 /nfs/dbraw/zinc/17/17/04/608171704.db2.gz ZPINHFYPHHIKLI-TVQRCGJNSA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](CO)C1CC1 ZINC000824641828 608171628 /nfs/dbraw/zinc/17/16/28/608171628.db2.gz ZPINHFYPHHIKLI-ZANVPECISA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](CO)C1CC1 ZINC000824641828 608171627 /nfs/dbraw/zinc/17/16/27/608171627.db2.gz ZPINHFYPHHIKLI-ZANVPECISA-N -1 3 380.430 -0.579 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000824647647 607974793 /nfs/dbraw/zinc/97/47/93/607974793.db2.gz APSBSEQNXPSCLV-MRVPVSSYSA-N -1 3 393.385 -0.102 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824647647 607974792 /nfs/dbraw/zinc/97/47/92/607974792.db2.gz APSBSEQNXPSCLV-MRVPVSSYSA-N -1 3 393.385 -0.102 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000824647648 607974750 /nfs/dbraw/zinc/97/47/50/607974750.db2.gz APSBSEQNXPSCLV-QMMMGPOBSA-N -1 3 393.385 -0.102 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824647648 607974749 /nfs/dbraw/zinc/97/47/49/607974749.db2.gz APSBSEQNXPSCLV-QMMMGPOBSA-N -1 3 393.385 -0.102 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000824648380 608189843 /nfs/dbraw/zinc/18/98/43/608189843.db2.gz FHQCWWSJPNGCSU-SECBINFHSA-N -1 3 390.429 -0.189 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000824648380 608189842 /nfs/dbraw/zinc/18/98/42/608189842.db2.gz FHQCWWSJPNGCSU-SECBINFHSA-N -1 3 390.429 -0.189 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000824648381 608189784 /nfs/dbraw/zinc/18/97/84/608189784.db2.gz FHQCWWSJPNGCSU-VIFPVBQESA-N -1 3 390.429 -0.189 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000824648381 608189783 /nfs/dbraw/zinc/18/97/83/608189783.db2.gz FHQCWWSJPNGCSU-VIFPVBQESA-N -1 3 390.429 -0.189 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824648382 607975531 /nfs/dbraw/zinc/97/55/31/607975531.db2.gz FHZIUSHUVWLEPO-BDAKNGLRSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824648382 607975530 /nfs/dbraw/zinc/97/55/30/607975530.db2.gz FHZIUSHUVWLEPO-BDAKNGLRSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@@H](OC(=O)[C@H](C)NS(C)(=O)=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824648383 607975695 /nfs/dbraw/zinc/97/56/95/607975695.db2.gz FHZIUSHUVWLEPO-DTWKUNHWSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@@H](OC(=O)[C@H](C)NS(C)(=O)=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824648383 607975694 /nfs/dbraw/zinc/97/56/94/607975694.db2.gz FHZIUSHUVWLEPO-DTWKUNHWSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824648384 607975511 /nfs/dbraw/zinc/97/55/11/607975511.db2.gz FHZIUSHUVWLEPO-IUCAKERBSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824648384 607975510 /nfs/dbraw/zinc/97/55/10/607975510.db2.gz FHZIUSHUVWLEPO-IUCAKERBSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824648385 607975537 /nfs/dbraw/zinc/97/55/37/607975537.db2.gz FHZIUSHUVWLEPO-RKDXNWHRSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824648385 607975536 /nfs/dbraw/zinc/97/55/36/607975536.db2.gz FHZIUSHUVWLEPO-RKDXNWHRSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000824648678 607975620 /nfs/dbraw/zinc/97/56/20/607975620.db2.gz INVOPAOGNDEOFB-MRVPVSSYSA-N -1 3 393.385 -0.102 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824648678 607975619 /nfs/dbraw/zinc/97/56/19/607975619.db2.gz INVOPAOGNDEOFB-MRVPVSSYSA-N -1 3 393.385 -0.102 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000824648679 607975638 /nfs/dbraw/zinc/97/56/38/607975638.db2.gz INVOPAOGNDEOFB-QMMMGPOBSA-N -1 3 393.385 -0.102 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824648679 607975637 /nfs/dbraw/zinc/97/56/37/607975637.db2.gz INVOPAOGNDEOFB-QMMMGPOBSA-N -1 3 393.385 -0.102 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824648997 608082397 /nfs/dbraw/zinc/08/23/97/608082397.db2.gz KDUDSRRIOAOPAA-GWCFXTLKSA-N -1 3 380.430 -0.296 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824648997 608082396 /nfs/dbraw/zinc/08/23/96/608082396.db2.gz KDUDSRRIOAOPAA-GWCFXTLKSA-N -1 3 380.430 -0.296 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824648998 608082600 /nfs/dbraw/zinc/08/26/00/608082600.db2.gz KDUDSRRIOAOPAA-GXFFZTMASA-N -1 3 380.430 -0.296 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824648998 608082599 /nfs/dbraw/zinc/08/25/99/608082599.db2.gz KDUDSRRIOAOPAA-GXFFZTMASA-N -1 3 380.430 -0.296 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824649000 608082618 /nfs/dbraw/zinc/08/26/18/608082618.db2.gz KDUDSRRIOAOPAA-MFKMUULPSA-N -1 3 380.430 -0.296 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824649000 608082617 /nfs/dbraw/zinc/08/26/17/608082617.db2.gz KDUDSRRIOAOPAA-MFKMUULPSA-N -1 3 380.430 -0.296 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824649002 608082609 /nfs/dbraw/zinc/08/26/09/608082609.db2.gz KDUDSRRIOAOPAA-ZWNOBZJWSA-N -1 3 380.430 -0.296 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824649002 608082608 /nfs/dbraw/zinc/08/26/08/608082608.db2.gz KDUDSRRIOAOPAA-ZWNOBZJWSA-N -1 3 380.430 -0.296 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824649015 607974687 /nfs/dbraw/zinc/97/46/87/607974687.db2.gz KIJCALSVULATJV-BXKDBHETSA-N -1 3 394.413 -0.547 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824649015 607974686 /nfs/dbraw/zinc/97/46/86/607974686.db2.gz KIJCALSVULATJV-BXKDBHETSA-N -1 3 394.413 -0.547 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824649016 607974731 /nfs/dbraw/zinc/97/47/31/607974731.db2.gz KIJCALSVULATJV-CABZTGNLSA-N -1 3 394.413 -0.547 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824649016 607974730 /nfs/dbraw/zinc/97/47/30/607974730.db2.gz KIJCALSVULATJV-CABZTGNLSA-N -1 3 394.413 -0.547 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824649017 607974641 /nfs/dbraw/zinc/97/46/41/607974641.db2.gz KIJCALSVULATJV-JOYOIKCWSA-N -1 3 394.413 -0.547 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824649017 607974640 /nfs/dbraw/zinc/97/46/40/607974640.db2.gz KIJCALSVULATJV-JOYOIKCWSA-N -1 3 394.413 -0.547 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824649018 607974583 /nfs/dbraw/zinc/97/45/83/607974583.db2.gz KIJCALSVULATJV-SKDRFNHKSA-N -1 3 394.413 -0.547 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000824649018 607974582 /nfs/dbraw/zinc/97/45/82/607974582.db2.gz KIJCALSVULATJV-SKDRFNHKSA-N -1 3 394.413 -0.547 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824651171 607974662 /nfs/dbraw/zinc/97/46/62/607974662.db2.gz XJFANMPGBDBGHK-BDAKNGLRSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824651171 607974661 /nfs/dbraw/zinc/97/46/61/607974661.db2.gz XJFANMPGBDBGHK-BDAKNGLRSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@@H](OC(=O)[C@H](C)NS(C)(=O)=O)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824651173 607974659 /nfs/dbraw/zinc/97/46/59/607974659.db2.gz XJFANMPGBDBGHK-DTWKUNHWSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@@H](OC(=O)[C@H](C)NS(C)(=O)=O)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824651173 607974658 /nfs/dbraw/zinc/97/46/58/607974658.db2.gz XJFANMPGBDBGHK-DTWKUNHWSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824651175 607974626 /nfs/dbraw/zinc/97/46/26/607974626.db2.gz XJFANMPGBDBGHK-IUCAKERBSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@H](NS(C)(=O)=O)C(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824651175 607974625 /nfs/dbraw/zinc/97/46/25/607974625.db2.gz XJFANMPGBDBGHK-IUCAKERBSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000824651176 607974670 /nfs/dbraw/zinc/97/46/70/607974670.db2.gz XJFANMPGBDBGHK-RKDXNWHRSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000824651176 607974669 /nfs/dbraw/zinc/97/46/69/607974669.db2.gz XJFANMPGBDBGHK-RKDXNWHRSA-N -1 3 382.402 -0.325 20 0 GBADHM C[C@H](O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677256 608249732 /nfs/dbraw/zinc/24/97/32/608249732.db2.gz CEVLWDXNFKFQNH-BBRMVZONSA-N -1 3 399.455 -0.113 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677257 608249585 /nfs/dbraw/zinc/24/95/85/608249585.db2.gz CEVLWDXNFKFQNH-CJNGLKHVSA-N -1 3 399.455 -0.113 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677258 608249824 /nfs/dbraw/zinc/24/98/24/608249824.db2.gz CEVLWDXNFKFQNH-CZUORRHYSA-N -1 3 399.455 -0.113 20 0 GBADHM C[C@H](O)C(=O)N1CCN(C(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677259 608249884 /nfs/dbraw/zinc/24/98/84/608249884.db2.gz CEVLWDXNFKFQNH-XJKSGUPXSA-N -1 3 399.455 -0.113 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000824677284 608239431 /nfs/dbraw/zinc/23/94/31/608239431.db2.gz CNMKWUMTOKWSLF-SECBINFHSA-N -1 3 384.393 -0.781 20 0 GBADHM C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000824677285 608239262 /nfs/dbraw/zinc/23/92/62/608239262.db2.gz CNMKWUMTOKWSLF-VIFPVBQESA-N -1 3 384.393 -0.781 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000824677300 608239538 /nfs/dbraw/zinc/23/95/38/608239538.db2.gz CUSFQQJRJJIEES-SECBINFHSA-N -1 3 384.393 -0.781 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000824677300 608239537 /nfs/dbraw/zinc/23/95/37/608239537.db2.gz CUSFQQJRJJIEES-SECBINFHSA-N -1 3 384.393 -0.781 20 0 GBADHM C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000824677301 608239437 /nfs/dbraw/zinc/23/94/37/608239437.db2.gz CUSFQQJRJJIEES-VIFPVBQESA-N -1 3 384.393 -0.781 20 0 GBADHM C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000824677301 608239436 /nfs/dbraw/zinc/23/94/36/608239436.db2.gz CUSFQQJRJJIEES-VIFPVBQESA-N -1 3 384.393 -0.781 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677334 608256473 /nfs/dbraw/zinc/25/64/73/608256473.db2.gz DHSNYJAZDVXVPQ-GFCCVEGCSA-N -1 3 394.457 -0.835 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824677334 608256471 /nfs/dbraw/zinc/25/64/71/608256471.db2.gz DHSNYJAZDVXVPQ-GFCCVEGCSA-N -1 3 394.457 -0.835 20 0 GBADHM C[C@H](O)C(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677335 608256377 /nfs/dbraw/zinc/25/63/77/608256377.db2.gz DHSNYJAZDVXVPQ-LBPRGKRZSA-N -1 3 394.457 -0.835 20 0 GBADHM C[C@H](O)C(=O)N1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824677335 608256375 /nfs/dbraw/zinc/25/63/75/608256375.db2.gz DHSNYJAZDVXVPQ-LBPRGKRZSA-N -1 3 394.457 -0.835 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000824677442 608256502 /nfs/dbraw/zinc/25/65/02/608256502.db2.gz DNDQHGSDORRCDR-LLVKDONJSA-N -1 3 384.400 -0.058 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000824677442 608256500 /nfs/dbraw/zinc/25/65/00/608256500.db2.gz DNDQHGSDORRCDR-LLVKDONJSA-N -1 3 384.400 -0.058 20 0 GBADHM C[C@H](O)C(=O)N1CCN(Cc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CC1 ZINC000824677443 608256273 /nfs/dbraw/zinc/25/62/73/608256273.db2.gz DNDQHGSDORRCDR-NSHDSACASA-N -1 3 384.400 -0.058 20 0 GBADHM C[C@H](O)C(=O)N1CCN(Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CC1 ZINC000824677443 608256271 /nfs/dbraw/zinc/25/62/71/608256271.db2.gz DNDQHGSDORRCDR-NSHDSACASA-N -1 3 384.400 -0.058 20 0 GBADHM C[C@H](O)C(=O)N1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824677468 608256298 /nfs/dbraw/zinc/25/62/98/608256298.db2.gz FAAJEWCRPDKKAF-JTQLQIEISA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@H](O)C(=O)N1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824677468 608256296 /nfs/dbraw/zinc/25/62/96/608256296.db2.gz FAAJEWCRPDKKAF-JTQLQIEISA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000824677469 608256248 /nfs/dbraw/zinc/25/62/48/608256248.db2.gz FAAJEWCRPDKKAF-SNVBAGLBSA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000824677469 608256246 /nfs/dbraw/zinc/25/62/46/608256246.db2.gz FAAJEWCRPDKKAF-SNVBAGLBSA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000824677538 608239524 /nfs/dbraw/zinc/23/95/24/608239524.db2.gz FVVCBTOVBYHXIS-SECBINFHSA-N -1 3 384.393 -0.781 20 0 GBADHM C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000824677539 608239424 /nfs/dbraw/zinc/23/94/24/608239424.db2.gz FVVCBTOVBYHXIS-VIFPVBQESA-N -1 3 384.393 -0.781 20 0 GBADHM C[C@H](O)C(=O)N1CCN(CCC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000824677778 608257247 /nfs/dbraw/zinc/25/72/47/608257247.db2.gz HPMODVYMTJXHJK-JTQLQIEISA-N -1 3 379.446 -0.218 20 0 GBADHM C[C@H](O)C(=O)N1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000824677778 608257246 /nfs/dbraw/zinc/25/72/46/608257246.db2.gz HPMODVYMTJXHJK-JTQLQIEISA-N -1 3 379.446 -0.218 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(CCC(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC000824677781 608257266 /nfs/dbraw/zinc/25/72/66/608257266.db2.gz HPMODVYMTJXHJK-SNVBAGLBSA-N -1 3 379.446 -0.218 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC000824677781 608257265 /nfs/dbraw/zinc/25/72/65/608257265.db2.gz HPMODVYMTJXHJK-SNVBAGLBSA-N -1 3 379.446 -0.218 20 0 GBADHM C[C@H](O)C(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000824677782 608257357 /nfs/dbraw/zinc/25/73/57/608257357.db2.gz HPUNEGDTFLONSA-CMPLNLGQSA-N -1 3 391.457 -0.442 20 0 GBADHM C[C@H](O)C(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000824677782 608257355 /nfs/dbraw/zinc/25/73/55/608257355.db2.gz HPUNEGDTFLONSA-CMPLNLGQSA-N -1 3 391.457 -0.442 20 0 GBADHM C[C@H](O)C(=O)N1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000824677783 608257143 /nfs/dbraw/zinc/25/71/43/608257143.db2.gz HPUNEGDTFLONSA-JQWIXIFHSA-N -1 3 391.457 -0.442 20 0 GBADHM C[C@H](O)C(=O)N1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000824677783 608257141 /nfs/dbraw/zinc/25/71/41/608257141.db2.gz HPUNEGDTFLONSA-JQWIXIFHSA-N -1 3 391.457 -0.442 20 0 GBADHM C[C@@H](O)C(=O)N1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000824677785 608256917 /nfs/dbraw/zinc/25/69/17/608256917.db2.gz HPUNEGDTFLONSA-PWSUYJOCSA-N -1 3 391.457 -0.442 20 0 GBADHM C[C@@H](O)C(=O)N1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000824677785 608256915 /nfs/dbraw/zinc/25/69/15/608256915.db2.gz HPUNEGDTFLONSA-PWSUYJOCSA-N -1 3 391.457 -0.442 20 0 GBADHM C[C@@H](O)C(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)CC1 ZINC000824677787 608257323 /nfs/dbraw/zinc/25/73/23/608257323.db2.gz HPUNEGDTFLONSA-ZYHUDNBSSA-N -1 3 391.457 -0.442 20 0 GBADHM C[C@@H](O)C(=O)N1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)CC1 ZINC000824677787 608257321 /nfs/dbraw/zinc/25/73/21/608257321.db2.gz HPUNEGDTFLONSA-ZYHUDNBSSA-N -1 3 391.457 -0.442 20 0 GBADHM C[C@H](O)C(=O)N1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677881 608256946 /nfs/dbraw/zinc/25/69/46/608256946.db2.gz IWOKVNWAIKAKDV-GXTWGEPZSA-N -1 3 376.417 -0.869 20 0 GBADHM C[C@H](O)C(=O)N1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677883 608257048 /nfs/dbraw/zinc/25/70/48/608257048.db2.gz IWOKVNWAIKAKDV-JSGCOSHPSA-N -1 3 376.417 -0.869 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(C[C@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677884 608257137 /nfs/dbraw/zinc/25/71/37/608257137.db2.gz IWOKVNWAIKAKDV-OCCSQVGLSA-N -1 3 376.417 -0.869 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(C[C@@H](O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824677885 608256924 /nfs/dbraw/zinc/25/69/24/608256924.db2.gz IWOKVNWAIKAKDV-TZMCWYRMSA-N -1 3 376.417 -0.869 20 0 GBADHM C[C@H](O)C(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000824678283 608342039 /nfs/dbraw/zinc/34/20/39/608342039.db2.gz MFBBAQCPVGOXFV-JTQLQIEISA-N -1 3 398.420 -0.639 20 0 GBADHM C[C@H](O)C(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000824678283 608342037 /nfs/dbraw/zinc/34/20/37/608342037.db2.gz MFBBAQCPVGOXFV-JTQLQIEISA-N -1 3 398.420 -0.639 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000824678337 608342169 /nfs/dbraw/zinc/34/21/69/608342169.db2.gz MFBBAQCPVGOXFV-SNVBAGLBSA-N -1 3 398.420 -0.639 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000824678337 608342167 /nfs/dbraw/zinc/34/21/67/608342167.db2.gz MFBBAQCPVGOXFV-SNVBAGLBSA-N -1 3 398.420 -0.639 20 0 GBADHM C[C@H](O)C(=O)N1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000824678410 946892913 /nfs/dbraw/zinc/89/29/13/946892913.db2.gz MMYOPKZNZWRNKD-BBRMVZONSA-N -1 3 399.455 -0.113 20 0 GBADHM C[C@H](O)C(=O)N1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000824678410 946892901 /nfs/dbraw/zinc/89/29/01/946892901.db2.gz MMYOPKZNZWRNKD-BBRMVZONSA-N -1 3 399.455 -0.113 20 0 GBADHM C[C@@H](O)C(=O)N1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000824678416 946894075 /nfs/dbraw/zinc/89/40/75/946894075.db2.gz MMYOPKZNZWRNKD-CJNGLKHVSA-N -1 3 399.455 -0.113 20 0 GBADHM C[C@@H](O)C(=O)N1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000824678416 946894059 /nfs/dbraw/zinc/89/40/59/946894059.db2.gz MMYOPKZNZWRNKD-CJNGLKHVSA-N -1 3 399.455 -0.113 20 0 GBADHM C[C@@H](O)C(=O)N1CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000824678421 946894425 /nfs/dbraw/zinc/89/44/25/946894425.db2.gz MMYOPKZNZWRNKD-CZUORRHYSA-N -1 3 399.455 -0.113 20 0 GBADHM C[C@@H](O)C(=O)N1CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000824678421 946894413 /nfs/dbraw/zinc/89/44/13/946894413.db2.gz MMYOPKZNZWRNKD-CZUORRHYSA-N -1 3 399.455 -0.113 20 0 GBADHM C[C@H](O)C(=O)N1CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000824678428 946893860 /nfs/dbraw/zinc/89/38/60/946893860.db2.gz MMYOPKZNZWRNKD-XJKSGUPXSA-N -1 3 399.455 -0.113 20 0 GBADHM C[C@H](O)C(=O)N1CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000824678428 946893849 /nfs/dbraw/zinc/89/38/49/946893849.db2.gz MMYOPKZNZWRNKD-XJKSGUPXSA-N -1 3 399.455 -0.113 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824679467 608239584 /nfs/dbraw/zinc/23/95/84/608239584.db2.gz SKMQRDMXDWOAIX-LLVKDONJSA-N -1 3 380.430 -0.779 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824679467 608239583 /nfs/dbraw/zinc/23/95/83/608239583.db2.gz SKMQRDMXDWOAIX-LLVKDONJSA-N -1 3 380.430 -0.779 20 0 GBADHM C[C@H](O)C(=O)N1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824679469 608239500 /nfs/dbraw/zinc/23/95/00/608239500.db2.gz SKMQRDMXDWOAIX-NSHDSACASA-N -1 3 380.430 -0.779 20 0 GBADHM C[C@H](O)C(=O)N1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824679469 608239499 /nfs/dbraw/zinc/23/94/99/608239499.db2.gz SKMQRDMXDWOAIX-NSHDSACASA-N -1 3 380.430 -0.779 20 0 GBADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824679509 946893492 /nfs/dbraw/zinc/89/34/92/946893492.db2.gz SXSJBCQQYVFVAC-BLLLJJGKSA-N -1 3 399.455 -0.209 20 0 GBADHM C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824679509 946893478 /nfs/dbraw/zinc/89/34/78/946893478.db2.gz SXSJBCQQYVFVAC-BLLLJJGKSA-N -1 3 399.455 -0.209 20 0 GBADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824679511 946893799 /nfs/dbraw/zinc/89/37/99/946893799.db2.gz SXSJBCQQYVFVAC-LRDDRELGSA-N -1 3 399.455 -0.209 20 0 GBADHM C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824679511 946893797 /nfs/dbraw/zinc/89/37/97/946893797.db2.gz SXSJBCQQYVFVAC-LRDDRELGSA-N -1 3 399.455 -0.209 20 0 GBADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824679513 946892510 /nfs/dbraw/zinc/89/25/10/946892510.db2.gz SXSJBCQQYVFVAC-MLGOLLRUSA-N -1 3 399.455 -0.209 20 0 GBADHM C[C@@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824679513 946892496 /nfs/dbraw/zinc/89/24/96/946892496.db2.gz SXSJBCQQYVFVAC-MLGOLLRUSA-N -1 3 399.455 -0.209 20 0 GBADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824679514 946895073 /nfs/dbraw/zinc/89/50/73/946895073.db2.gz SXSJBCQQYVFVAC-WBMJQRKESA-N -1 3 399.455 -0.209 20 0 GBADHM C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824679514 946895062 /nfs/dbraw/zinc/89/50/62/946895062.db2.gz SXSJBCQQYVFVAC-WBMJQRKESA-N -1 3 399.455 -0.209 20 0 GBADHM C[C@H](O)C(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000824679555 608256859 /nfs/dbraw/zinc/25/68/59/608256859.db2.gz UMBMXKNOOLZIQY-JTQLQIEISA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@H](O)C(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000824679555 608256857 /nfs/dbraw/zinc/25/68/57/608256857.db2.gz UMBMXKNOOLZIQY-JTQLQIEISA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC000824679556 608257002 /nfs/dbraw/zinc/25/70/02/608257002.db2.gz UMBMXKNOOLZIQY-SNVBAGLBSA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC000824679556 608257001 /nfs/dbraw/zinc/25/70/01/608257001.db2.gz UMBMXKNOOLZIQY-SNVBAGLBSA-N -1 3 393.835 -0.016 20 0 GBADHM C[C@@H](O)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000824679559 608257169 /nfs/dbraw/zinc/25/71/69/608257169.db2.gz UNUOYFKOVZKMDN-DOMZBBRYSA-N -1 3 385.428 -0.503 20 0 GBADHM C[C@@H](O)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000824679559 608257168 /nfs/dbraw/zinc/25/71/68/608257168.db2.gz UNUOYFKOVZKMDN-DOMZBBRYSA-N -1 3 385.428 -0.503 20 0 GBADHM C[C@@H](O)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000824679560 608257237 /nfs/dbraw/zinc/25/72/37/608257237.db2.gz UNUOYFKOVZKMDN-IUODEOHRSA-N -1 3 385.428 -0.503 20 0 GBADHM C[C@@H](O)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000824679560 608257236 /nfs/dbraw/zinc/25/72/36/608257236.db2.gz UNUOYFKOVZKMDN-IUODEOHRSA-N -1 3 385.428 -0.503 20 0 GBADHM C[C@H](O)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000824679561 608257259 /nfs/dbraw/zinc/25/72/59/608257259.db2.gz UNUOYFKOVZKMDN-SWLSCSKDSA-N -1 3 385.428 -0.503 20 0 GBADHM C[C@H](O)C(=O)N1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000824679561 608257258 /nfs/dbraw/zinc/25/72/58/608257258.db2.gz UNUOYFKOVZKMDN-SWLSCSKDSA-N -1 3 385.428 -0.503 20 0 GBADHM C[C@H](O)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000824679562 608257300 /nfs/dbraw/zinc/25/73/00/608257300.db2.gz UNUOYFKOVZKMDN-WFASDCNBSA-N -1 3 385.428 -0.503 20 0 GBADHM C[C@H](O)C(=O)N1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000824679562 608257299 /nfs/dbraw/zinc/25/72/99/608257299.db2.gz UNUOYFKOVZKMDN-WFASDCNBSA-N -1 3 385.428 -0.503 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000824679824 608257052 /nfs/dbraw/zinc/25/70/52/608257052.db2.gz WFQHAGHLWRNGEE-LLVKDONJSA-N -1 3 384.400 -0.058 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000824679824 608257051 /nfs/dbraw/zinc/25/70/51/608257051.db2.gz WFQHAGHLWRNGEE-LLVKDONJSA-N -1 3 384.400 -0.058 20 0 GBADHM C[C@H](O)C(=O)N1CCN(Cc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CC1 ZINC000824679826 608256851 /nfs/dbraw/zinc/25/68/51/608256851.db2.gz WFQHAGHLWRNGEE-NSHDSACASA-N -1 3 384.400 -0.058 20 0 GBADHM C[C@H](O)C(=O)N1CCN(Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CC1 ZINC000824679826 608256849 /nfs/dbraw/zinc/25/68/49/608256849.db2.gz WFQHAGHLWRNGEE-NSHDSACASA-N -1 3 384.400 -0.058 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824680241 608256828 /nfs/dbraw/zinc/25/68/28/608256828.db2.gz ZRSUTMPQSOZQLA-GFCCVEGCSA-N -1 3 394.457 -0.835 20 0 GBADHM C[C@@H](O)C(=O)N1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824680241 608256826 /nfs/dbraw/zinc/25/68/26/608256826.db2.gz ZRSUTMPQSOZQLA-GFCCVEGCSA-N -1 3 394.457 -0.835 20 0 GBADHM C[C@H](O)C(=O)N1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824680242 608257197 /nfs/dbraw/zinc/25/71/97/608257197.db2.gz ZRSUTMPQSOZQLA-LBPRGKRZSA-N -1 3 394.457 -0.835 20 0 GBADHM C[C@H](O)C(=O)N1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824680242 608257196 /nfs/dbraw/zinc/25/71/96/608257196.db2.gz ZRSUTMPQSOZQLA-LBPRGKRZSA-N -1 3 394.457 -0.835 20 0 GBADHM C[C@H](O)C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824687933 946897900 /nfs/dbraw/zinc/89/79/00/946897900.db2.gz HJPLWPBFRMOOMQ-DCAQKATOSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](O)C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824687933 946897887 /nfs/dbraw/zinc/89/78/87/946897887.db2.gz HJPLWPBFRMOOMQ-DCAQKATOSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H](C)C[C@H](C)O ZINC000824687934 946896353 /nfs/dbraw/zinc/89/63/53/946896353.db2.gz HJPLWPBFRMOOMQ-GARJFASQSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N[C@@H](C)C[C@H](C)O ZINC000824687934 946896340 /nfs/dbraw/zinc/89/63/40/946896340.db2.gz HJPLWPBFRMOOMQ-GARJFASQSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](C[C@H](C)O)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824687935 946895497 /nfs/dbraw/zinc/89/54/97/946895497.db2.gz HJPLWPBFRMOOMQ-OUAUKWLOSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](C[C@H](C)O)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824687935 946895485 /nfs/dbraw/zinc/89/54/85/946895485.db2.gz HJPLWPBFRMOOMQ-OUAUKWLOSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](C[C@H](C)O)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824687936 946898117 /nfs/dbraw/zinc/89/81/17/946898117.db2.gz HJPLWPBFRMOOMQ-VWYCJHECSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](C[C@H](C)O)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824687936 946898103 /nfs/dbraw/zinc/89/81/03/946898103.db2.gz HJPLWPBFRMOOMQ-VWYCJHECSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](O)C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824690150 946900335 /nfs/dbraw/zinc/90/03/35/946900335.db2.gz PVKVIDDHWSYKFE-DCAQKATOSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](O)C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824690150 946900328 /nfs/dbraw/zinc/90/03/28/946900328.db2.gz PVKVIDDHWSYKFE-DCAQKATOSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C[C@H](C)O ZINC000824690151 946898516 /nfs/dbraw/zinc/89/85/16/946898516.db2.gz PVKVIDDHWSYKFE-GARJFASQSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C[C@H](C)O ZINC000824690151 946898505 /nfs/dbraw/zinc/89/85/05/946898505.db2.gz PVKVIDDHWSYKFE-GARJFASQSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](C[C@H](C)O)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824690152 946899070 /nfs/dbraw/zinc/89/90/70/946899070.db2.gz PVKVIDDHWSYKFE-OUAUKWLOSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](C[C@H](C)O)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824690152 946899057 /nfs/dbraw/zinc/89/90/57/946899057.db2.gz PVKVIDDHWSYKFE-OUAUKWLOSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](C[C@H](C)O)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824690153 946900504 /nfs/dbraw/zinc/90/05/04/946900504.db2.gz PVKVIDDHWSYKFE-VWYCJHECSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@H](C[C@H](C)O)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824690153 946900496 /nfs/dbraw/zinc/90/04/96/946900496.db2.gz PVKVIDDHWSYKFE-VWYCJHECSA-N -1 3 382.446 -0.191 20 0 GBADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000824705447 607631820 /nfs/dbraw/zinc/63/18/20/607631820.db2.gz ASVMGIGBLNWAFS-SECBINFHSA-N -1 3 388.400 -0.168 20 0 GBADHM C[C@@H](O)CN1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000824705447 607631818 /nfs/dbraw/zinc/63/18/18/607631818.db2.gz ASVMGIGBLNWAFS-SECBINFHSA-N -1 3 388.400 -0.168 20 0 GBADHM C[C@H](O)CN1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000824705448 607632091 /nfs/dbraw/zinc/63/20/91/607632091.db2.gz ASVMGIGBLNWAFS-VIFPVBQESA-N -1 3 388.400 -0.168 20 0 GBADHM C[C@H](O)CN1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000824705448 607632090 /nfs/dbraw/zinc/63/20/90/607632090.db2.gz ASVMGIGBLNWAFS-VIFPVBQESA-N -1 3 388.400 -0.168 20 0 GBADHM C[C@@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)C2)nn1 ZINC000824705449 609496700 /nfs/dbraw/zinc/49/67/00/609496700.db2.gz ATBLTVHRXKXOMJ-MRVPVSSYSA-N -1 3 394.392 -0.104 20 0 GBADHM C[C@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(F)c(-c4nnn[n-]4)c3)C2)nn1 ZINC000824705450 609496626 /nfs/dbraw/zinc/49/66/26/609496626.db2.gz ATBLTVHRXKXOMJ-QMMMGPOBSA-N -1 3 394.392 -0.104 20 0 GBADHM C[C@H](O)c1cn(CC(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000824705781 609240493 /nfs/dbraw/zinc/24/04/93/609240493.db2.gz DRUZZUAPZYNXEE-JTQLQIEISA-N -1 3 386.372 -0.629 20 0 GBADHM C[C@H](O)c1cn(CC(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000824705781 609240492 /nfs/dbraw/zinc/24/04/92/609240492.db2.gz DRUZZUAPZYNXEE-JTQLQIEISA-N -1 3 386.372 -0.629 20 0 GBADHM C[C@@H](O)c1cn(CC(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000824705782 609240427 /nfs/dbraw/zinc/24/04/27/609240427.db2.gz DRUZZUAPZYNXEE-SNVBAGLBSA-N -1 3 386.372 -0.629 20 0 GBADHM C[C@@H](O)c1cn(CC(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000824705782 609240426 /nfs/dbraw/zinc/24/04/26/609240426.db2.gz DRUZZUAPZYNXEE-SNVBAGLBSA-N -1 3 386.372 -0.629 20 0 GBADHM C[C@@H](O)c1cn(C2CN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)C2)nn1 ZINC000824706019 609496590 /nfs/dbraw/zinc/49/65/90/609496590.db2.gz FTKAIPTWYCCCJA-SECBINFHSA-N -1 3 376.402 -0.243 20 0 GBADHM C[C@@H](O)c1cn(C2CN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)C2)nn1 ZINC000824706019 609496589 /nfs/dbraw/zinc/49/65/89/609496589.db2.gz FTKAIPTWYCCCJA-SECBINFHSA-N -1 3 376.402 -0.243 20 0 GBADHM C[C@H](O)c1cn(C2CN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)C2)nn1 ZINC000824706020 609496769 /nfs/dbraw/zinc/49/67/69/609496769.db2.gz FTKAIPTWYCCCJA-VIFPVBQESA-N -1 3 376.402 -0.243 20 0 GBADHM C[C@H](O)c1cn(C2CN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)C2)nn1 ZINC000824706020 609496767 /nfs/dbraw/zinc/49/67/67/609496767.db2.gz FTKAIPTWYCCCJA-VIFPVBQESA-N -1 3 376.402 -0.243 20 0 GBADHM C[C@H](O)c1cn(C2CN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000824706447 609169943 /nfs/dbraw/zinc/16/99/43/609169943.db2.gz ITYCZBAKNBFDQN-JTQLQIEISA-N -1 3 397.399 -0.675 20 0 GBADHM C[C@H](O)c1cn(C2CN(C(=O)CNC(=O)c3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000824706447 609169940 /nfs/dbraw/zinc/16/99/40/609169940.db2.gz ITYCZBAKNBFDQN-JTQLQIEISA-N -1 3 397.399 -0.675 20 0 GBADHM C[C@@H](O)c1cn(C2CN(C(=O)CNC(=O)c3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000824706521 609169579 /nfs/dbraw/zinc/16/95/79/609169579.db2.gz ITYCZBAKNBFDQN-SNVBAGLBSA-N -1 3 397.399 -0.675 20 0 GBADHM 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ZINC000824706592 609240453 /nfs/dbraw/zinc/24/04/53/609240453.db2.gz JHIOHBVQSFUZII-JTQLQIEISA-N -1 3 386.372 -0.629 20 0 GBADHM C[C@H](O)c1cn(CC(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000824706592 609240451 /nfs/dbraw/zinc/24/04/51/609240451.db2.gz JHIOHBVQSFUZII-JTQLQIEISA-N -1 3 386.372 -0.629 20 0 GBADHM C[C@@H](O)c1cn(CC(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000824706594 609240445 /nfs/dbraw/zinc/24/04/45/609240445.db2.gz JHIOHBVQSFUZII-SNVBAGLBSA-N -1 3 386.372 -0.629 20 0 GBADHM C[C@@H](O)c1cn(CC(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000824706594 609240444 /nfs/dbraw/zinc/24/04/44/609240444.db2.gz JHIOHBVQSFUZII-SNVBAGLBSA-N -1 3 386.372 -0.629 20 0 GBADHM C[C@@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824706852 607815189 /nfs/dbraw/zinc/81/51/89/607815189.db2.gz KMSWWKWQFCBGIN-CYBMUJFWSA-N -1 3 380.474 -0.361 20 0 GBADHM C[C@@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824706852 607815188 /nfs/dbraw/zinc/81/51/88/607815188.db2.gz KMSWWKWQFCBGIN-CYBMUJFWSA-N -1 3 380.474 -0.361 20 0 GBADHM C[C@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824706853 607815012 /nfs/dbraw/zinc/81/50/12/607815012.db2.gz KMSWWKWQFCBGIN-ZDUSSCGKSA-N -1 3 380.474 -0.361 20 0 GBADHM C[C@H](O)CN1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824706853 607815011 /nfs/dbraw/zinc/81/50/11/607815011.db2.gz KMSWWKWQFCBGIN-ZDUSSCGKSA-N -1 3 380.474 -0.361 20 0 GBADHM C[C@@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)C2)nn1 ZINC000824706922 609496691 /nfs/dbraw/zinc/49/66/91/609496691.db2.gz MANZUIREDYYWDT-MRVPVSSYSA-N -1 3 394.392 -0.104 20 0 GBADHM C[C@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(F)cc3-c3nnn[n-]3)C2)nn1 ZINC000824706923 609496715 /nfs/dbraw/zinc/49/67/15/609496715.db2.gz MANZUIREDYYWDT-QMMMGPOBSA-N -1 3 394.392 -0.104 20 0 GBADHM C[C@@H](O)CN1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000824707590 608334902 /nfs/dbraw/zinc/33/49/02/608334902.db2.gz TWTSQWDWYWZDRA-LLVKDONJSA-N -1 3 384.437 -0.166 20 0 GBADHM C[C@@H](O)CN1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000824707590 608334901 /nfs/dbraw/zinc/33/49/01/608334901.db2.gz TWTSQWDWYWZDRA-LLVKDONJSA-N -1 3 384.437 -0.166 20 0 GBADHM C[C@H](O)CN1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000824707591 608334566 /nfs/dbraw/zinc/33/45/66/608334566.db2.gz TWTSQWDWYWZDRA-NSHDSACASA-N -1 3 384.437 -0.166 20 0 GBADHM C[C@H](O)CN1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000824707591 608334565 /nfs/dbraw/zinc/33/45/65/608334565.db2.gz TWTSQWDWYWZDRA-NSHDSACASA-N -1 3 384.437 -0.166 20 0 GBADHM C[C@@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000824707724 609496733 /nfs/dbraw/zinc/49/67/33/609496733.db2.gz UQYDBEWGDGLGMC-SECBINFHSA-N -1 3 376.402 -0.243 20 0 GBADHM C[C@@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000824707724 609496731 /nfs/dbraw/zinc/49/67/31/609496731.db2.gz UQYDBEWGDGLGMC-SECBINFHSA-N -1 3 376.402 -0.243 20 0 GBADHM C[C@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000824707725 609496638 /nfs/dbraw/zinc/49/66/38/609496638.db2.gz UQYDBEWGDGLGMC-VIFPVBQESA-N -1 3 376.402 -0.243 20 0 GBADHM C[C@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000824707725 609496637 /nfs/dbraw/zinc/49/66/37/609496637.db2.gz UQYDBEWGDGLGMC-VIFPVBQESA-N -1 3 376.402 -0.243 20 0 GBADHM C[C@H](O)c1cn(C2CN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC000824707728 609496562 /nfs/dbraw/zinc/49/65/62/609496562.db2.gz UYONNUBSIWCIFU-JTQLQIEISA-N -1 3 390.429 -0.102 20 0 GBADHM C[C@H](O)c1cn(C2CN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC000824707728 609496560 /nfs/dbraw/zinc/49/65/60/609496560.db2.gz UYONNUBSIWCIFU-JTQLQIEISA-N -1 3 390.429 -0.102 20 0 GBADHM C[C@@H](O)c1cn(C2CN(S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC000824707729 609496532 /nfs/dbraw/zinc/49/65/32/609496532.db2.gz UYONNUBSIWCIFU-SNVBAGLBSA-N -1 3 390.429 -0.102 20 0 GBADHM C[C@@H](O)c1cn(C2CN(S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC000824707729 609496530 /nfs/dbraw/zinc/49/65/30/609496530.db2.gz UYONNUBSIWCIFU-SNVBAGLBSA-N -1 3 390.429 -0.102 20 0 GBADHM C[C@@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)C2)nn1 ZINC000824707764 609496593 /nfs/dbraw/zinc/49/65/93/609496593.db2.gz VQUIKTFQSAZPSV-MRVPVSSYSA-N -1 3 394.392 -0.104 20 0 GBADHM C[C@@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)C2)nn1 ZINC000824707764 609496592 /nfs/dbraw/zinc/49/65/92/609496592.db2.gz VQUIKTFQSAZPSV-MRVPVSSYSA-N -1 3 394.392 -0.104 20 0 GBADHM C[C@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)C2)nn1 ZINC000824707765 609496635 /nfs/dbraw/zinc/49/66/35/609496635.db2.gz VQUIKTFQSAZPSV-QMMMGPOBSA-N -1 3 394.392 -0.104 20 0 GBADHM C[C@H](O)c1cn(C2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)C2)nn1 ZINC000824707765 609496634 /nfs/dbraw/zinc/49/66/34/609496634.db2.gz VQUIKTFQSAZPSV-QMMMGPOBSA-N -1 3 394.392 -0.104 20 0 GBADHM C[C@H](O)c1cn(CC(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1 ZINC000824708018 609240698 /nfs/dbraw/zinc/24/06/98/609240698.db2.gz WJPWSJNOPCMCJU-HZMBPMFUSA-N -1 3 398.383 -0.140 20 0 GBADHM C[C@H](O)c1cn(CC(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1 ZINC000824708018 609240697 /nfs/dbraw/zinc/24/06/97/609240697.db2.gz WJPWSJNOPCMCJU-HZMBPMFUSA-N -1 3 398.383 -0.140 20 0 GBADHM C[C@H](O)c1cn(CC(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1 ZINC000824708020 609240723 /nfs/dbraw/zinc/24/07/23/609240723.db2.gz WJPWSJNOPCMCJU-IINYFYTJSA-N -1 3 398.383 -0.140 20 0 GBADHM C[C@H](O)c1cn(CC(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1 ZINC000824708020 609240721 /nfs/dbraw/zinc/24/07/21/609240721.db2.gz WJPWSJNOPCMCJU-IINYFYTJSA-N -1 3 398.383 -0.140 20 0 GBADHM C[C@@H](O)c1cn(CC(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1 ZINC000824708022 609240417 /nfs/dbraw/zinc/24/04/17/609240417.db2.gz WJPWSJNOPCMCJU-QMTHXVAHSA-N -1 3 398.383 -0.140 20 0 GBADHM C[C@@H](O)c1cn(CC(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1 ZINC000824708022 609240416 /nfs/dbraw/zinc/24/04/16/609240416.db2.gz WJPWSJNOPCMCJU-QMTHXVAHSA-N -1 3 398.383 -0.140 20 0 GBADHM C[C@@H](O)c1cn(CC(=O)O[C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nn1 ZINC000824708025 609240405 /nfs/dbraw/zinc/24/04/05/609240405.db2.gz WJPWSJNOPCMCJU-YGRLFVJLSA-N -1 3 398.383 -0.140 20 0 GBADHM C[C@@H](O)c1cn(CC(=O)O[C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nn1 ZINC000824708025 609240404 /nfs/dbraw/zinc/24/04/04/609240404.db2.gz WJPWSJNOPCMCJU-YGRLFVJLSA-N -1 3 398.383 -0.140 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000824728748 609472079 /nfs/dbraw/zinc/47/20/79/609472079.db2.gz HAYWIKFNHFGRGY-SECBINFHSA-N -1 3 383.372 -0.592 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000824728751 609471387 /nfs/dbraw/zinc/47/13/87/609471387.db2.gz HAYWIKFNHFGRGY-VIFPVBQESA-N -1 3 383.372 -0.592 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCO)CCN1CCOCC1 ZINC000824732049 607942049 /nfs/dbraw/zinc/94/20/49/607942049.db2.gz ZPKKURMVPDEZBD-AWEZNQCLSA-N -1 3 390.444 -0.213 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CCO)CCN1CCOCC1 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/nfs/dbraw/zinc/31/55/53/609315553.db2.gz AQSRMGZGFYIVDM-LBPRGKRZSA-N -1 3 378.462 -0.030 20 0 GBADHM C[C@H]1CCN(S(=O)(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC000824961055 609315551 /nfs/dbraw/zinc/31/55/51/609315551.db2.gz AQSRMGZGFYIVDM-LBPRGKRZSA-N -1 3 378.462 -0.030 20 0 GBADHM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000824961754 609313714 /nfs/dbraw/zinc/31/37/14/609313714.db2.gz HZFIRNDTNSMINB-GFCCVEGCSA-N -1 3 378.462 -0.030 20 0 GBADHM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000824961754 609313712 /nfs/dbraw/zinc/31/37/12/609313712.db2.gz HZFIRNDTNSMINB-GFCCVEGCSA-N -1 3 378.462 -0.030 20 0 GBADHM C[C@H]1CCN(S(=O)(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)C1 ZINC000824961755 609313801 /nfs/dbraw/zinc/31/38/01/609313801.db2.gz HZFIRNDTNSMINB-LBPRGKRZSA-N -1 3 378.462 -0.030 20 0 GBADHM C[C@H]1CCN(S(=O)(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)C1 ZINC000824961755 609313800 /nfs/dbraw/zinc/31/38/00/609313800.db2.gz HZFIRNDTNSMINB-LBPRGKRZSA-N -1 3 378.462 -0.030 20 0 GBADHM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000824963177 609313893 /nfs/dbraw/zinc/31/38/93/609313893.db2.gz ZLJPWLFHWQYDGU-GFCCVEGCSA-N -1 3 378.462 -0.030 20 0 GBADHM C[C@@H]1CCN(S(=O)(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000824963177 609313891 /nfs/dbraw/zinc/31/38/91/609313891.db2.gz ZLJPWLFHWQYDGU-GFCCVEGCSA-N -1 3 378.462 -0.030 20 0 GBADHM C[C@H]1CCN(S(=O)(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)C1 ZINC000824963179 609313798 /nfs/dbraw/zinc/31/37/98/609313798.db2.gz ZLJPWLFHWQYDGU-LBPRGKRZSA-N -1 3 378.462 -0.030 20 0 GBADHM C[C@H]1CCN(S(=O)(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)C1 ZINC000824963179 609313797 /nfs/dbraw/zinc/31/37/97/609313797.db2.gz ZLJPWLFHWQYDGU-LBPRGKRZSA-N -1 3 378.462 -0.030 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000824967250 608362655 /nfs/dbraw/zinc/36/26/55/608362655.db2.gz ISVNVYZKTOZMNQ-DOMZBBRYSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000824967250 608362653 /nfs/dbraw/zinc/36/26/53/608362653.db2.gz ISVNVYZKTOZMNQ-DOMZBBRYSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1N1CCOCC1 ZINC000824967251 608362590 /nfs/dbraw/zinc/36/25/90/608362590.db2.gz ISVNVYZKTOZMNQ-IUODEOHRSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1N1CCOCC1 ZINC000824967251 608362588 /nfs/dbraw/zinc/36/25/88/608362588.db2.gz ISVNVYZKTOZMNQ-IUODEOHRSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@H]1N1CCOCC1 ZINC000824967252 608362395 /nfs/dbraw/zinc/36/23/95/608362395.db2.gz ISVNVYZKTOZMNQ-SWLSCSKDSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@H]1N1CCOCC1 ZINC000824967252 608362393 /nfs/dbraw/zinc/36/23/93/608362393.db2.gz ISVNVYZKTOZMNQ-SWLSCSKDSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C[C@@H]1N1CCOCC1 ZINC000824967253 608362357 /nfs/dbraw/zinc/36/23/57/608362357.db2.gz ISVNVYZKTOZMNQ-WFASDCNBSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C[C@@H]1N1CCOCC1 ZINC000824967253 608362356 /nfs/dbraw/zinc/36/23/56/608362356.db2.gz ISVNVYZKTOZMNQ-WFASDCNBSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C[C@@H]1O ZINC000824967391 608361462 /nfs/dbraw/zinc/36/14/62/608361462.db2.gz JHPMOIBOBGJNEC-GWCFXTLKSA-N -1 3 397.399 -0.716 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C[C@@H]1O ZINC000824967391 608361460 /nfs/dbraw/zinc/36/14/60/608361460.db2.gz JHPMOIBOBGJNEC-GWCFXTLKSA-N -1 3 397.399 -0.716 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C[C@H]1O ZINC000824967392 608361491 /nfs/dbraw/zinc/36/14/91/608361491.db2.gz JHPMOIBOBGJNEC-GXFFZTMASA-N -1 3 397.399 -0.716 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C[C@H]1O ZINC000824967392 608361489 /nfs/dbraw/zinc/36/14/89/608361489.db2.gz JHPMOIBOBGJNEC-GXFFZTMASA-N -1 3 397.399 -0.716 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C[C@@H]1O ZINC000824967393 608361195 /nfs/dbraw/zinc/36/11/95/608361195.db2.gz JHPMOIBOBGJNEC-MFKMUULPSA-N -1 3 397.399 -0.716 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C[C@@H]1O ZINC000824967393 608361194 /nfs/dbraw/zinc/36/11/94/608361194.db2.gz JHPMOIBOBGJNEC-MFKMUULPSA-N -1 3 397.399 -0.716 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)C[C@H]1O ZINC000824967394 608361594 /nfs/dbraw/zinc/36/15/94/608361594.db2.gz JHPMOIBOBGJNEC-ZWNOBZJWSA-N -1 3 397.399 -0.716 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(-c4nnn[n-]4)cc3)n2)C[C@H]1O ZINC000824967394 608361593 /nfs/dbraw/zinc/36/15/93/608361593.db2.gz JHPMOIBOBGJNEC-ZWNOBZJWSA-N -1 3 397.399 -0.716 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000824968006 608362546 /nfs/dbraw/zinc/36/25/46/608362546.db2.gz ORZUZNVWCYLOQR-DOMZBBRYSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1N1CCOCC1 ZINC000824968006 608362544 /nfs/dbraw/zinc/36/25/44/608362544.db2.gz ORZUZNVWCYLOQR-DOMZBBRYSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000824968007 608362308 /nfs/dbraw/zinc/36/23/08/608362308.db2.gz ORZUZNVWCYLOQR-IUODEOHRSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@H]1N1CCOCC1 ZINC000824968007 608362305 /nfs/dbraw/zinc/36/23/05/608362305.db2.gz ORZUZNVWCYLOQR-IUODEOHRSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@H]1N1CCOCC1 ZINC000824968008 608362726 /nfs/dbraw/zinc/36/27/26/608362726.db2.gz ORZUZNVWCYLOQR-SWLSCSKDSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@H]1N1CCOCC1 ZINC000824968008 608362724 /nfs/dbraw/zinc/36/27/24/608362724.db2.gz ORZUZNVWCYLOQR-SWLSCSKDSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000824968009 608362668 /nfs/dbraw/zinc/36/26/68/608362668.db2.gz ORZUZNVWCYLOQR-WFASDCNBSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C[C@@H]1N1CCOCC1 ZINC000824968009 608362666 /nfs/dbraw/zinc/36/26/66/608362666.db2.gz ORZUZNVWCYLOQR-WFASDCNBSA-N -1 3 385.428 -0.016 20 0 GBADHM C[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1c1nccn2cnnc12 ZINC000824974519 607755326 /nfs/dbraw/zinc/75/53/26/607755326.db2.gz AMAZUCUJWOISJI-JTQLQIEISA-N -1 3 379.388 -0.017 20 0 GBADHM C[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1c1nccn2cnnc12 ZINC000824974519 607755325 /nfs/dbraw/zinc/75/53/25/607755325.db2.gz AMAZUCUJWOISJI-JTQLQIEISA-N -1 3 379.388 -0.017 20 0 GBADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1c1nccn2cnnc12 ZINC000824974520 607755044 /nfs/dbraw/zinc/75/50/44/607755044.db2.gz AMAZUCUJWOISJI-SNVBAGLBSA-N -1 3 379.388 -0.017 20 0 GBADHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1c1nccn2cnnc12 ZINC000824974520 607755043 /nfs/dbraw/zinc/75/50/43/607755043.db2.gz AMAZUCUJWOISJI-SNVBAGLBSA-N -1 3 379.388 -0.017 20 0 GBADHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1c1nccn2cnnc12 ZINC000824977919 609226498 /nfs/dbraw/zinc/22/64/98/609226498.db2.gz SWUWIUZRAHNRDP-JTQLQIEISA-N -1 3 379.388 -0.017 20 0 GBADHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1c1nccn2cnnc12 ZINC000824977919 609226497 /nfs/dbraw/zinc/22/64/97/609226497.db2.gz SWUWIUZRAHNRDP-JTQLQIEISA-N -1 3 379.388 -0.017 20 0 GBADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1c1nccn2cnnc12 ZINC000824977920 609226477 /nfs/dbraw/zinc/22/64/77/609226477.db2.gz SWUWIUZRAHNRDP-SNVBAGLBSA-N -1 3 379.388 -0.017 20 0 GBADHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1c1nccn2cnnc12 ZINC000824977920 609226476 /nfs/dbraw/zinc/22/64/76/609226476.db2.gz SWUWIUZRAHNRDP-SNVBAGLBSA-N -1 3 379.388 -0.017 20 0 GBADHM C[C@@H]1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000824985096 607828892 /nfs/dbraw/zinc/82/88/92/607828892.db2.gz RMEFQPHOSZMDAH-LLVKDONJSA-N -1 3 385.471 -0.241 20 0 GBADHM C[C@@H]1CN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000824985096 607828891 /nfs/dbraw/zinc/82/88/91/607828891.db2.gz RMEFQPHOSZMDAH-LLVKDONJSA-N -1 3 385.471 -0.241 20 0 GBADHM C[C@H]1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC000824985097 607828758 /nfs/dbraw/zinc/82/87/58/607828758.db2.gz RMEFQPHOSZMDAH-NSHDSACASA-N -1 3 385.471 -0.241 20 0 GBADHM C[C@H]1CN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC000824985097 607828757 /nfs/dbraw/zinc/82/87/57/607828757.db2.gz RMEFQPHOSZMDAH-NSHDSACASA-N -1 3 385.471 -0.241 20 0 GBADHM C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCS1(=O)=O ZINC000824991576 607619613 /nfs/dbraw/zinc/61/96/13/607619613.db2.gz CJNIHVPJYCMRAB-MRVPVSSYSA-N -1 3 375.407 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ZINC000825113551 607907784 /nfs/dbraw/zinc/90/77/84/607907784.db2.gz ARIIWFIXXRNCHK-JQWIXIFHSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825113551 607907783 /nfs/dbraw/zinc/90/77/83/607907783.db2.gz ARIIWFIXXRNCHK-JQWIXIFHSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825113552 607907601 /nfs/dbraw/zinc/90/76/01/607907601.db2.gz ARIIWFIXXRNCHK-PWSUYJOCSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825113552 607907600 /nfs/dbraw/zinc/90/76/00/607907600.db2.gz ARIIWFIXXRNCHK-PWSUYJOCSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825113553 607907534 /nfs/dbraw/zinc/90/75/34/607907534.db2.gz ARIIWFIXXRNCHK-ZYHUDNBSSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825113553 607907533 /nfs/dbraw/zinc/90/75/33/607907533.db2.gz ARIIWFIXXRNCHK-ZYHUDNBSSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825114965 607907622 /nfs/dbraw/zinc/90/76/22/607907622.db2.gz SFTRPUUNPQLWKH-CMPLNLGQSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825114965 607907621 /nfs/dbraw/zinc/90/76/21/607907621.db2.gz SFTRPUUNPQLWKH-CMPLNLGQSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825114968 607907793 /nfs/dbraw/zinc/90/77/93/607907793.db2.gz SFTRPUUNPQLWKH-JQWIXIFHSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825114968 607907792 /nfs/dbraw/zinc/90/77/92/607907792.db2.gz SFTRPUUNPQLWKH-JQWIXIFHSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825114971 607907637 /nfs/dbraw/zinc/90/76/37/607907637.db2.gz SFTRPUUNPQLWKH-PWSUYJOCSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825114971 607907636 /nfs/dbraw/zinc/90/76/36/607907636.db2.gz SFTRPUUNPQLWKH-PWSUYJOCSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825114974 607907720 /nfs/dbraw/zinc/90/77/20/607907720.db2.gz SFTRPUUNPQLWKH-ZYHUDNBSSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825114974 607907719 /nfs/dbraw/zinc/90/77/19/607907719.db2.gz SFTRPUUNPQLWKH-ZYHUDNBSSA-N -1 3 382.446 -0.189 20 0 GBADHM CC[C@H](CO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825120218 608141205 /nfs/dbraw/zinc/14/12/05/608141205.db2.gz IRHSLNWITXYSRO-LLVKDONJSA-N -1 3 378.389 -0.283 20 0 GBADHM CC[C@H](CO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825120218 608141204 /nfs/dbraw/zinc/14/12/04/608141204.db2.gz IRHSLNWITXYSRO-LLVKDONJSA-N -1 3 378.389 -0.283 20 0 GBADHM CC[C@@H](CO)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCCOC ZINC000825120219 608133693 /nfs/dbraw/zinc/13/36/93/608133693.db2.gz IRHSLNWITXYSRO-NSHDSACASA-N -1 3 378.389 -0.283 20 0 GBADHM CC[C@@H](CO)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCCOC ZINC000825120219 608133692 /nfs/dbraw/zinc/13/36/92/608133692.db2.gz IRHSLNWITXYSRO-NSHDSACASA-N -1 3 378.389 -0.283 20 0 GBADHM CC[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)N1CCOCC1 ZINC000825147925 607667341 /nfs/dbraw/zinc/66/73/41/607667341.db2.gz MOORDEVHTZOMFQ-GFCCVEGCSA-N -1 3 380.430 -0.218 20 0 GBADHM CC[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)N1CCOCC1 ZINC000825147925 607667339 /nfs/dbraw/zinc/66/73/39/607667339.db2.gz MOORDEVHTZOMFQ-GFCCVEGCSA-N -1 3 380.430 -0.218 20 0 GBADHM CC[C@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)C(=O)N1CCOCC1 ZINC000825147928 607667849 /nfs/dbraw/zinc/66/78/49/607667849.db2.gz MOORDEVHTZOMFQ-LBPRGKRZSA-N -1 3 380.430 -0.218 20 0 GBADHM CC[C@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)C(=O)N1CCOCC1 ZINC000825147928 607667848 /nfs/dbraw/zinc/66/78/48/607667848.db2.gz MOORDEVHTZOMFQ-LBPRGKRZSA-N -1 3 380.430 -0.218 20 0 GBADHM CC[C@@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCOCC1 ZINC000825148234 607667919 /nfs/dbraw/zinc/66/79/19/607667919.db2.gz OULITGHEVCSNDH-GFCCVEGCSA-N -1 3 398.420 -0.079 20 0 GBADHM CC[C@H](NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCOCC1 ZINC000825148235 607667691 /nfs/dbraw/zinc/66/76/91/607667691.db2.gz OULITGHEVCSNDH-LBPRGKRZSA-N -1 3 398.420 -0.079 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1O ZINC000825201168 608038706 /nfs/dbraw/zinc/03/87/06/608038706.db2.gz FEVMCBGEFLIILI-GYSYKLTISA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1O ZINC000825201168 608038705 /nfs/dbraw/zinc/03/87/05/608038705.db2.gz FEVMCBGEFLIILI-GYSYKLTISA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1O ZINC000825201169 608038790 /nfs/dbraw/zinc/03/87/90/608038790.db2.gz FEVMCBGEFLIILI-JTNHKYCSSA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1O ZINC000825201169 608038789 /nfs/dbraw/zinc/03/87/89/608038789.db2.gz FEVMCBGEFLIILI-JTNHKYCSSA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1O ZINC000825201170 608038656 /nfs/dbraw/zinc/03/86/56/608038656.db2.gz FEVMCBGEFLIILI-MISXGVKJSA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1O ZINC000825201170 608038655 /nfs/dbraw/zinc/03/86/55/608038655.db2.gz FEVMCBGEFLIILI-MISXGVKJSA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1O ZINC000825201171 608038758 /nfs/dbraw/zinc/03/87/58/608038758.db2.gz FEVMCBGEFLIILI-WDMOLILDSA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1O ZINC000825201171 608038757 /nfs/dbraw/zinc/03/87/57/608038757.db2.gz FEVMCBGEFLIILI-WDMOLILDSA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1O ZINC000825201981 608039710 /nfs/dbraw/zinc/03/97/10/608039710.db2.gz JBZLQOGEHWJNCN-GYSYKLTISA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1O ZINC000825201981 608039709 /nfs/dbraw/zinc/03/97/09/608039709.db2.gz JBZLQOGEHWJNCN-GYSYKLTISA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1O ZINC000825201982 608039755 /nfs/dbraw/zinc/03/97/55/608039755.db2.gz JBZLQOGEHWJNCN-JTNHKYCSSA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1O ZINC000825201982 608039754 /nfs/dbraw/zinc/03/97/54/608039754.db2.gz JBZLQOGEHWJNCN-JTNHKYCSSA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1O ZINC000825201983 608039646 /nfs/dbraw/zinc/03/96/46/608039646.db2.gz JBZLQOGEHWJNCN-MISXGVKJSA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1O ZINC000825201983 608039645 /nfs/dbraw/zinc/03/96/45/608039645.db2.gz JBZLQOGEHWJNCN-MISXGVKJSA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1O ZINC000825201984 608039584 /nfs/dbraw/zinc/03/95/84/608039584.db2.gz JBZLQOGEHWJNCN-WDMOLILDSA-N -1 3 394.457 -0.237 20 0 GBADHM CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1O ZINC000825201984 608039583 /nfs/dbraw/zinc/03/95/83/608039583.db2.gz JBZLQOGEHWJNCN-WDMOLILDSA-N -1 3 394.457 -0.237 20 0 GBADHM CCC[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCN1CCOC ZINC000825260794 608303639 /nfs/dbraw/zinc/30/36/39/608303639.db2.gz RNMKSRIYFQJNAB-GFCCVEGCSA-N -1 3 392.464 -0.799 20 0 GBADHM CCC[C@@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCN1CCOC ZINC000825260794 608303637 /nfs/dbraw/zinc/30/36/37/608303637.db2.gz RNMKSRIYFQJNAB-GFCCVEGCSA-N -1 3 392.464 -0.799 20 0 GBADHM CCC[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCN1CCOC ZINC000825260817 608303500 /nfs/dbraw/zinc/30/35/00/608303500.db2.gz RNMKSRIYFQJNAB-LBPRGKRZSA-N -1 3 392.464 -0.799 20 0 GBADHM CCC[C@H]1CN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CCN1CCOC ZINC000825260817 608303498 /nfs/dbraw/zinc/30/34/98/608303498.db2.gz RNMKSRIYFQJNAB-LBPRGKRZSA-N -1 3 392.464 -0.799 20 0 GBADHM CCCCOC(=O)CNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825291581 607868470 /nfs/dbraw/zinc/86/84/70/607868470.db2.gz UJPPFELSYTVDRT-UHFFFAOYSA-N -1 3 396.429 -0.396 20 0 GBADHM CCCCOC(=O)CNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825291581 607868469 /nfs/dbraw/zinc/86/84/69/607868469.db2.gz UJPPFELSYTVDRT-UHFFFAOYSA-N -1 3 396.429 -0.396 20 0 GBADHM CCCCS(=O)(=O)NCC(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825296266 608030357 /nfs/dbraw/zinc/03/03/57/608030357.db2.gz BEBXUNSNEWWJQE-CYBMUJFWSA-N -1 3 396.429 -0.344 20 0 GBADHM CCCCS(=O)(=O)NCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825296267 608030393 /nfs/dbraw/zinc/03/03/93/608030393.db2.gz BEBXUNSNEWWJQE-ZDUSSCGKSA-N -1 3 396.429 -0.344 20 0 GBADHM CCCCS(=O)(=O)NCC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000825296526 608046202 /nfs/dbraw/zinc/04/62/02/608046202.db2.gz NCDMYAQRWZQYIR-UHFFFAOYSA-N -1 3 382.450 -0.491 20 0 GBADHM CCCCS(=O)(=O)NCC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000825296526 608046201 /nfs/dbraw/zinc/04/62/01/608046201.db2.gz NCDMYAQRWZQYIR-UHFFFAOYSA-N -1 3 382.450 -0.491 20 0 GBADHM CCCCS(=O)(=O)NCC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000825296676 608046234 /nfs/dbraw/zinc/04/62/34/608046234.db2.gz RZQGCYRDYFGGSU-UHFFFAOYSA-N -1 3 382.450 -0.491 20 0 GBADHM CCCCS(=O)(=O)NCC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000825296676 608046233 /nfs/dbraw/zinc/04/62/33/608046233.db2.gz RZQGCYRDYFGGSU-UHFFFAOYSA-N -1 3 382.450 -0.491 20 0 GBADHM CCCN(CCO)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825313424 947148605 /nfs/dbraw/zinc/14/86/05/947148605.db2.gz FKCZMYAMHZMFQW-LLVKDONJSA-N -1 3 382.446 -0.236 20 0 GBADHM CCCN(CCO)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825313424 947148597 /nfs/dbraw/zinc/14/85/97/947148597.db2.gz FKCZMYAMHZMFQW-LLVKDONJSA-N -1 3 382.446 -0.236 20 0 GBADHM CCCN(CCO)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825313425 947148282 /nfs/dbraw/zinc/14/82/82/947148282.db2.gz FKCZMYAMHZMFQW-NSHDSACASA-N -1 3 382.446 -0.236 20 0 GBADHM CCCN(CCO)C(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825313425 947148279 /nfs/dbraw/zinc/14/82/79/947148279.db2.gz FKCZMYAMHZMFQW-NSHDSACASA-N -1 3 382.446 -0.236 20 0 GBADHM CCCN(CCO)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825313977 947150274 /nfs/dbraw/zinc/15/02/74/947150274.db2.gz VLWFZFHAULUTFK-LLVKDONJSA-N -1 3 382.446 -0.236 20 0 GBADHM CCCN(CCO)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825313977 947150267 /nfs/dbraw/zinc/15/02/67/947150267.db2.gz VLWFZFHAULUTFK-LLVKDONJSA-N -1 3 382.446 -0.236 20 0 GBADHM CCCN(CCO)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825313978 947151646 /nfs/dbraw/zinc/15/16/46/947151646.db2.gz VLWFZFHAULUTFK-NSHDSACASA-N -1 3 382.446 -0.236 20 0 GBADHM CCCN(CCO)C(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825313978 947151642 /nfs/dbraw/zinc/15/16/42/947151642.db2.gz VLWFZFHAULUTFK-NSHDSACASA-N -1 3 382.446 -0.236 20 0 GBADHM CCCNC(=O)CN(C)C(=O)COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825326817 609637828 /nfs/dbraw/zinc/63/78/28/609637828.db2.gz DPVJMBICYINTGH-HNNXBMFYSA-N -1 3 390.400 -0.572 20 0 GBADHM CCCNC(=O)CN(C)C(=O)COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825326817 609637826 /nfs/dbraw/zinc/63/78/26/609637826.db2.gz DPVJMBICYINTGH-HNNXBMFYSA-N -1 3 390.400 -0.572 20 0 GBADHM CCCNC(=O)CN(C)C(=O)COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825326818 609638228 /nfs/dbraw/zinc/63/82/28/609638228.db2.gz DPVJMBICYINTGH-OAHLLOKOSA-N -1 3 390.400 -0.572 20 0 GBADHM CCCNC(=O)CN(C)C(=O)COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825326818 609638227 /nfs/dbraw/zinc/63/82/27/609638227.db2.gz DPVJMBICYINTGH-OAHLLOKOSA-N -1 3 390.400 -0.572 20 0 GBADHM CCCNC(=O)CN1CCC(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000825326834 947153322 /nfs/dbraw/zinc/15/33/22/947153322.db2.gz FEZVSKAKYMYBSU-UHFFFAOYSA-N -1 3 390.448 -0.188 20 0 GBADHM CCCNC(=O)CN1CCC(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)CC1 ZINC000825326834 947153309 /nfs/dbraw/zinc/15/33/09/947153309.db2.gz FEZVSKAKYMYBSU-UHFFFAOYSA-N -1 3 390.448 -0.188 20 0 GBADHM CCN(C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825372380 607779964 /nfs/dbraw/zinc/77/99/64/607779964.db2.gz WNANZIVPIQPOAO-CYBMUJFWSA-N -1 3 392.441 -0.368 20 0 GBADHM CCN(C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000825372380 607779963 /nfs/dbraw/zinc/77/99/63/607779963.db2.gz WNANZIVPIQPOAO-CYBMUJFWSA-N -1 3 392.441 -0.368 20 0 GBADHM CCN(C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000825372382 607780016 /nfs/dbraw/zinc/78/00/16/607780016.db2.gz WNANZIVPIQPOAO-ZDUSSCGKSA-N -1 3 392.441 -0.368 20 0 GBADHM 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608202700 /nfs/dbraw/zinc/20/27/00/608202700.db2.gz WYRMEOTXSZOKQX-LLVKDONJSA-N -1 3 380.434 -0.786 20 0 GBADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000825476803 608202698 /nfs/dbraw/zinc/20/26/98/608202698.db2.gz WYRMEOTXSZOKQX-LLVKDONJSA-N -1 3 380.434 -0.786 20 0 GBADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000825476804 608202580 /nfs/dbraw/zinc/20/25/80/608202580.db2.gz WYRMEOTXSZOKQX-NSHDSACASA-N -1 3 380.434 -0.786 20 0 GBADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000825476804 608202578 /nfs/dbraw/zinc/20/25/78/608202578.db2.gz WYRMEOTXSZOKQX-NSHDSACASA-N -1 3 380.434 -0.786 20 0 GBADHM CCNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000825476816 608211970 /nfs/dbraw/zinc/21/19/70/608211970.db2.gz XJLWNFGVMKSACH-SECBINFHSA-N -1 3 385.475 -0.120 20 0 GBADHM CCNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000825476816 608211969 /nfs/dbraw/zinc/21/19/69/608211969.db2.gz XJLWNFGVMKSACH-SECBINFHSA-N -1 3 385.475 -0.120 20 0 GBADHM CCNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC000825476817 608212133 /nfs/dbraw/zinc/21/21/33/608212133.db2.gz XJLWNFGVMKSACH-VIFPVBQESA-N -1 3 385.475 -0.120 20 0 GBADHM CCNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000825476817 608212132 /nfs/dbraw/zinc/21/21/32/608212132.db2.gz XJLWNFGVMKSACH-VIFPVBQESA-N -1 3 385.475 -0.120 20 0 GBADHM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000825476828 607611807 /nfs/dbraw/zinc/61/18/07/607611807.db2.gz XVZVQOBFYRZFFM-UHFFFAOYSA-N -1 3 394.866 -0.262 20 0 GBADHM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825476828 607611805 /nfs/dbraw/zinc/61/18/05/607611805.db2.gz XVZVQOBFYRZFFM-UHFFFAOYSA-N -1 3 394.866 -0.262 20 0 GBADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000825476951 608168040 /nfs/dbraw/zinc/16/80/40/608168040.db2.gz ZIOBPDJKSUGNBD-LLVKDONJSA-N -1 3 380.430 -0.214 20 0 GBADHM CCNS(=O)(=O)[C@@H]1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000825476951 608168039 /nfs/dbraw/zinc/16/80/39/608168039.db2.gz ZIOBPDJKSUGNBD-LLVKDONJSA-N -1 3 380.430 -0.214 20 0 GBADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC000825476953 608168132 /nfs/dbraw/zinc/16/81/32/608168132.db2.gz ZIOBPDJKSUGNBD-NSHDSACASA-N -1 3 380.430 -0.214 20 0 GBADHM CCNS(=O)(=O)[C@H]1CCN(C(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC000825476953 608168131 /nfs/dbraw/zinc/16/81/31/608168131.db2.gz ZIOBPDJKSUGNBD-NSHDSACASA-N -1 3 380.430 -0.214 20 0 GBADHM CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000825484885 607650565 /nfs/dbraw/zinc/65/05/65/607650565.db2.gz BNUYXAPNTBEVGR-UHFFFAOYSA-N -1 3 394.413 -0.737 20 0 GBADHM CCOC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000825484885 607650563 /nfs/dbraw/zinc/65/05/63/607650563.db2.gz BNUYXAPNTBEVGR-UHFFFAOYSA-N -1 3 394.413 -0.737 20 0 GBADHM CCOC(=O)C(=O)N1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825485505 609232524 /nfs/dbraw/zinc/23/25/24/609232524.db2.gz GMWJUWLOFNOVOW-CYBMUJFWSA-N -1 3 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CCOC(=O)[C@H](CO)NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000825492400 608862755 /nfs/dbraw/zinc/86/27/55/608862755.db2.gz FLKPRHNJUVHGHN-LBPRGKRZSA-N -1 3 386.372 -0.712 20 0 GBADHM CCOC(=O)[C@H](CO)NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000825492400 608862754 /nfs/dbraw/zinc/86/27/54/608862754.db2.gz FLKPRHNJUVHGHN-LBPRGKRZSA-N -1 3 386.372 -0.712 20 0 GBADHM CCOC(=O)[C@@H]1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825498802 607816197 /nfs/dbraw/zinc/81/61/97/607816197.db2.gz CQTJVRHOHQWRIO-AWEZNQCLSA-N -1 3 395.441 -0.096 20 0 GBADHM CCOC(=O)[C@@H]1CN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825498802 607816196 /nfs/dbraw/zinc/81/61/96/607816196.db2.gz CQTJVRHOHQWRIO-AWEZNQCLSA-N -1 3 395.441 -0.096 20 0 GBADHM CCOC(=O)[C@H]1CN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825498804 607816141 /nfs/dbraw/zinc/81/61/41/607816141.db2.gz CQTJVRHOHQWRIO-CQSZACIVSA-N -1 3 395.441 -0.096 20 0 GBADHM CCOC(=O)[C@H]1CN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825498804 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ZINC000825507727 608328256 /nfs/dbraw/zinc/32/82/56/608328256.db2.gz RXUGUJGRMDGUSS-PXAZEXFGSA-N -1 3 388.384 -0.052 20 0 GBADHM CCOC(=O)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825507727 608328254 /nfs/dbraw/zinc/32/82/54/608328254.db2.gz RXUGUJGRMDGUSS-PXAZEXFGSA-N -1 3 388.384 -0.052 20 0 GBADHM CCOC(=O)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825507740 608328141 /nfs/dbraw/zinc/32/81/41/608328141.db2.gz RXUGUJGRMDGUSS-SJCJKPOMSA-N -1 3 388.384 -0.052 20 0 GBADHM CCOC(=O)C[C@H](O)CN1C(=O)N[C@@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825507740 608328138 /nfs/dbraw/zinc/32/81/38/608328138.db2.gz RXUGUJGRMDGUSS-SJCJKPOMSA-N -1 3 388.384 -0.052 20 0 GBADHM CCOC(=O)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825507744 608328222 /nfs/dbraw/zinc/32/82/22/608328222.db2.gz RXUGUJGRMDGUSS-SJKOYZFVSA-N -1 3 388.384 -0.052 20 0 GBADHM CCOC(=O)C[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825507744 608328220 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SKVHVPADPXNWJV-SJCJKPOMSA-N -1 3 388.384 -0.052 20 0 GBADHM CCOC(=O)C[C@H](O)CN1C(=O)N[C@@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825507787 608330241 /nfs/dbraw/zinc/33/02/41/608330241.db2.gz SKVHVPADPXNWJV-SJCJKPOMSA-N -1 3 388.384 -0.052 20 0 GBADHM CCOC(=O)C[C@@H](O)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000825507792 608330157 /nfs/dbraw/zinc/33/01/57/608330157.db2.gz SKVHVPADPXNWJV-SJKOYZFVSA-N -1 3 388.384 -0.052 20 0 GBADHM CCOC(=O)C[C@@H](O)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825507792 608330156 /nfs/dbraw/zinc/33/01/56/608330156.db2.gz SKVHVPADPXNWJV-SJKOYZFVSA-N -1 3 388.384 -0.052 20 0 GBADHM CCOC(=O)C[C@H](O)CN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000825507794 608330154 /nfs/dbraw/zinc/33/01/54/608330154.db2.gz SKVHVPADPXNWJV-YVEFUNNKSA-N -1 3 388.384 -0.052 20 0 GBADHM CCOC(=O)C[C@H](O)CN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825507794 608330153 /nfs/dbraw/zinc/33/01/53/608330153.db2.gz SKVHVPADPXNWJV-YVEFUNNKSA-N -1 3 388.384 -0.052 20 0 GBADHM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000825511825 607598917 /nfs/dbraw/zinc/59/89/17/607598917.db2.gz HDRFNMAEXDEBLT-UHFFFAOYSA-N -1 3 386.365 -0.955 20 0 GBADHM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825511930 607598788 /nfs/dbraw/zinc/59/87/88/607598788.db2.gz LNPMVWQIPBNKRJ-UHFFFAOYSA-N -1 3 382.402 -0.786 20 0 GBADHM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825511930 607598786 /nfs/dbraw/zinc/59/87/86/607598786.db2.gz LNPMVWQIPBNKRJ-UHFFFAOYSA-N -1 3 382.402 -0.786 20 0 GBADHM CCOC(=O)CN1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825517426 609218845 /nfs/dbraw/zinc/21/88/45/609218845.db2.gz DEMCXRYOVXBMTB-INIZCTEOSA-N -1 3 388.428 -0.003 20 0 GBADHM CCOC(=O)CN1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825517426 609218844 /nfs/dbraw/zinc/21/88/44/609218844.db2.gz DEMCXRYOVXBMTB-INIZCTEOSA-N -1 3 388.428 -0.003 20 0 GBADHM CCOC(=O)CN1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825517427 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BNRNIDIDHGWNKH-QWHCGFSZSA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826082836 609231395 /nfs/dbraw/zinc/23/13/95/609231395.db2.gz BNRNIDIDHGWNKH-STQMWFEESA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826082836 609231394 /nfs/dbraw/zinc/23/13/94/609231394.db2.gz BNRNIDIDHGWNKH-STQMWFEESA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826082852 607556467 /nfs/dbraw/zinc/55/64/67/607556467.db2.gz BWHVGEUIKSRYCY-KBPBESRZSA-N -1 3 391.457 -0.405 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826082852 607556465 /nfs/dbraw/zinc/55/64/65/607556465.db2.gz BWHVGEUIKSRYCY-KBPBESRZSA-N -1 3 391.457 -0.405 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826082853 607556234 /nfs/dbraw/zinc/55/62/34/607556234.db2.gz BWHVGEUIKSRYCY-KGLIPLIRSA-N -1 3 391.457 -0.405 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826082853 607556232 /nfs/dbraw/zinc/55/62/32/607556232.db2.gz BWHVGEUIKSRYCY-KGLIPLIRSA-N -1 3 391.457 -0.405 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826082854 607556279 /nfs/dbraw/zinc/55/62/79/607556279.db2.gz BWHVGEUIKSRYCY-UONOGXRCSA-N -1 3 391.457 -0.405 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826082854 607556277 /nfs/dbraw/zinc/55/62/77/607556277.db2.gz BWHVGEUIKSRYCY-UONOGXRCSA-N -1 3 391.457 -0.405 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826082855 607556015 /nfs/dbraw/zinc/55/60/15/607556015.db2.gz BWHVGEUIKSRYCY-ZIAGYGMSSA-N -1 3 391.457 -0.405 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826082855 607556013 /nfs/dbraw/zinc/55/60/13/607556013.db2.gz BWHVGEUIKSRYCY-ZIAGYGMSSA-N -1 3 391.457 -0.405 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826082857 607554722 /nfs/dbraw/zinc/55/47/22/607554722.db2.gz CDRLMFRMJVMTNQ-CHWSQXEVSA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826082857 607554720 /nfs/dbraw/zinc/55/47/20/607554720.db2.gz CDRLMFRMJVMTNQ-CHWSQXEVSA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826082858 607555190 /nfs/dbraw/zinc/55/51/90/607555190.db2.gz CDRLMFRMJVMTNQ-OLZOCXBDSA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826082858 607555188 /nfs/dbraw/zinc/55/51/88/607555188.db2.gz CDRLMFRMJVMTNQ-OLZOCXBDSA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826082859 607555141 /nfs/dbraw/zinc/55/51/41/607555141.db2.gz CDRLMFRMJVMTNQ-QWHCGFSZSA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826082859 607555139 /nfs/dbraw/zinc/55/51/39/607555139.db2.gz CDRLMFRMJVMTNQ-QWHCGFSZSA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@H](C(=O)OC)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826082860 607554857 /nfs/dbraw/zinc/55/48/57/607554857.db2.gz CDRLMFRMJVMTNQ-STQMWFEESA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@H](C(=O)OC)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826082860 607554855 /nfs/dbraw/zinc/55/48/55/607554855.db2.gz CDRLMFRMJVMTNQ-STQMWFEESA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC000826082891 607540931 /nfs/dbraw/zinc/54/09/31/607540931.db2.gz DGJQKDUWQNHODG-LLVKDONJSA-N -1 3 395.445 -0.292 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC000826082891 607540929 /nfs/dbraw/zinc/54/09/29/607540929.db2.gz DGJQKDUWQNHODG-LLVKDONJSA-N -1 3 395.445 -0.292 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)C1 ZINC000826082892 607541189 /nfs/dbraw/zinc/54/11/89/607541189.db2.gz DGJQKDUWQNHODG-NSHDSACASA-N -1 3 395.445 -0.292 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)C1 ZINC000826082892 607541187 /nfs/dbraw/zinc/54/11/87/607541187.db2.gz DGJQKDUWQNHODG-NSHDSACASA-N -1 3 395.445 -0.292 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000826083006 607558443 /nfs/dbraw/zinc/55/84/43/607558443.db2.gz DXOQEZTZSCSUDX-JTQLQIEISA-N -1 3 393.429 -0.736 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000826083006 607558442 /nfs/dbraw/zinc/55/84/42/607558442.db2.gz DXOQEZTZSCSUDX-JTQLQIEISA-N -1 3 393.429 -0.736 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC000826083007 607557943 /nfs/dbraw/zinc/55/79/43/607557943.db2.gz DXOQEZTZSCSUDX-SNVBAGLBSA-N -1 3 393.429 -0.736 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC000826083007 607557941 /nfs/dbraw/zinc/55/79/41/607557941.db2.gz DXOQEZTZSCSUDX-SNVBAGLBSA-N -1 3 393.429 -0.736 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826083011 607539081 /nfs/dbraw/zinc/53/90/81/607539081.db2.gz FBFKFPSWXVAXQT-LLVKDONJSA-N -1 3 383.409 -0.161 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826083011 607539079 /nfs/dbraw/zinc/53/90/79/607539079.db2.gz FBFKFPSWXVAXQT-LLVKDONJSA-N -1 3 383.409 -0.161 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826083012 607539247 /nfs/dbraw/zinc/53/92/47/607539247.db2.gz FBFKFPSWXVAXQT-NSHDSACASA-N -1 3 383.409 -0.161 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826083012 607539245 /nfs/dbraw/zinc/53/92/45/607539245.db2.gz FBFKFPSWXVAXQT-NSHDSACASA-N -1 3 383.409 -0.161 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000826083049 607556000 /nfs/dbraw/zinc/55/60/00/607556000.db2.gz HFSHNDUMWMUHLT-JTQLQIEISA-N -1 3 383.434 -0.361 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)Nc2oc(C)c(C)c2-c2nnn[n-]2)C1 ZINC000826083050 607556315 /nfs/dbraw/zinc/55/63/15/607556315.db2.gz HFSHNDUMWMUHLT-SNVBAGLBSA-N -1 3 383.434 -0.361 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)C1 ZINC000826083052 607925161 /nfs/dbraw/zinc/92/51/61/607925161.db2.gz HIEMHXGLRRJUSR-LLVKDONJSA-N -1 3 380.430 -0.223 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C1 ZINC000826083052 607925160 /nfs/dbraw/zinc/92/51/60/607925160.db2.gz HIEMHXGLRRJUSR-LLVKDONJSA-N -1 3 380.430 -0.223 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(Cc2cccc(C(=O)OC)c2-c2nn[n-]n2)C1 ZINC000826083053 607925261 /nfs/dbraw/zinc/92/52/61/607925261.db2.gz HIEMHXGLRRJUSR-NSHDSACASA-N -1 3 380.430 -0.223 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(Cc2cccc(C(=O)OC)c2-c2nnn[n-]2)C1 ZINC000826083053 607925260 /nfs/dbraw/zinc/92/52/60/607925260.db2.gz HIEMHXGLRRJUSR-NSHDSACASA-N -1 3 380.430 -0.223 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826083061 607537386 /nfs/dbraw/zinc/53/73/86/607537386.db2.gz HRXHYPGOLQQTEW-LLVKDONJSA-N -1 3 395.449 -0.993 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826083061 607537385 /nfs/dbraw/zinc/53/73/85/607537385.db2.gz HRXHYPGOLQQTEW-LLVKDONJSA-N -1 3 395.449 -0.993 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826083062 607537467 /nfs/dbraw/zinc/53/74/67/607537467.db2.gz HRXHYPGOLQQTEW-NSHDSACASA-N -1 3 395.449 -0.993 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826083062 607537465 /nfs/dbraw/zinc/53/74/65/607537465.db2.gz HRXHYPGOLQQTEW-NSHDSACASA-N -1 3 395.449 -0.993 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826083079 607549422 /nfs/dbraw/zinc/54/94/22/607549422.db2.gz IBWMNUIXNLSZBF-SECBINFHSA-N -1 3 390.422 -0.682 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826083080 607549690 /nfs/dbraw/zinc/54/96/90/607549690.db2.gz IBWMNUIXNLSZBF-VIFPVBQESA-N -1 3 390.422 -0.682 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(CCOc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000826083343 607555114 /nfs/dbraw/zinc/55/51/14/607555114.db2.gz JAFRZINTSPLNBY-GFCCVEGCSA-N -1 3 382.446 -0.122 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(CCOc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000826083344 607555270 /nfs/dbraw/zinc/55/52/70/607555270.db2.gz JAFRZINTSPLNBY-LBPRGKRZSA-N -1 3 382.446 -0.122 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083371 607555106 /nfs/dbraw/zinc/55/51/06/607555106.db2.gz JVFVNAJXCPZMHF-GWCFXTLKSA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083371 607555104 /nfs/dbraw/zinc/55/51/04/607555104.db2.gz JVFVNAJXCPZMHF-GWCFXTLKSA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083372 607554928 /nfs/dbraw/zinc/55/49/28/607554928.db2.gz JVFVNAJXCPZMHF-GXFFZTMASA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083372 607554926 /nfs/dbraw/zinc/55/49/26/607554926.db2.gz JVFVNAJXCPZMHF-GXFFZTMASA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083373 607554775 /nfs/dbraw/zinc/55/47/75/607554775.db2.gz JVFVNAJXCPZMHF-MFKMUULPSA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083373 607554773 /nfs/dbraw/zinc/55/47/73/607554773.db2.gz JVFVNAJXCPZMHF-MFKMUULPSA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083374 607555059 /nfs/dbraw/zinc/55/50/59/607555059.db2.gz JVFVNAJXCPZMHF-ZWNOBZJWSA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083374 607555057 /nfs/dbraw/zinc/55/50/57/607555057.db2.gz JVFVNAJXCPZMHF-ZWNOBZJWSA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083379 607549668 /nfs/dbraw/zinc/54/96/68/607549668.db2.gz JYPSASWHZLFLTJ-GFCCVEGCSA-N -1 3 386.459 -0.680 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083379 607549666 /nfs/dbraw/zinc/54/96/66/607549666.db2.gz JYPSASWHZLFLTJ-GFCCVEGCSA-N -1 3 386.459 -0.680 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083380 607549758 /nfs/dbraw/zinc/54/97/58/607549758.db2.gz JYPSASWHZLFLTJ-LBPRGKRZSA-N -1 3 386.459 -0.680 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083380 607549756 /nfs/dbraw/zinc/54/97/56/607549756.db2.gz JYPSASWHZLFLTJ-LBPRGKRZSA-N -1 3 386.459 -0.680 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826083408 607557870 /nfs/dbraw/zinc/55/78/70/607557870.db2.gz KZEVGGNHQMJRPJ-SECBINFHSA-N -1 3 397.392 -0.906 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826083408 607557868 /nfs/dbraw/zinc/55/78/68/607557868.db2.gz KZEVGGNHQMJRPJ-SECBINFHSA-N -1 3 397.392 -0.906 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000826083409 607558102 /nfs/dbraw/zinc/55/81/02/607558102.db2.gz KZEVGGNHQMJRPJ-VIFPVBQESA-N -1 3 397.392 -0.906 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826083409 607558101 /nfs/dbraw/zinc/55/81/01/607558101.db2.gz KZEVGGNHQMJRPJ-VIFPVBQESA-N -1 3 397.392 -0.906 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083542 607556309 /nfs/dbraw/zinc/55/63/09/607556309.db2.gz MLQNGDWNALBMJJ-CYBMUJFWSA-N -1 3 379.446 -0.894 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083542 607556307 /nfs/dbraw/zinc/55/63/07/607556307.db2.gz MLQNGDWNALBMJJ-CYBMUJFWSA-N -1 3 379.446 -0.894 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826083543 607556215 /nfs/dbraw/zinc/55/62/15/607556215.db2.gz MLQNGDWNALBMJJ-ZDUSSCGKSA-N -1 3 379.446 -0.894 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826083543 607556213 /nfs/dbraw/zinc/55/62/13/607556213.db2.gz MLQNGDWNALBMJJ-ZDUSSCGKSA-N -1 3 379.446 -0.894 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000826083565 607556248 /nfs/dbraw/zinc/55/62/48/607556248.db2.gz NCALIMMGCDPZPA-GHMZBOCLSA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000826083565 607556246 /nfs/dbraw/zinc/55/62/46/607556246.db2.gz NCALIMMGCDPZPA-GHMZBOCLSA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000826083566 607556176 /nfs/dbraw/zinc/55/61/76/607556176.db2.gz NCALIMMGCDPZPA-MNOVXSKESA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000826083566 607556174 /nfs/dbraw/zinc/55/61/74/607556174.db2.gz NCALIMMGCDPZPA-MNOVXSKESA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000826083567 607556272 /nfs/dbraw/zinc/55/62/72/607556272.db2.gz NCALIMMGCDPZPA-QWRGUYRKSA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000826083567 607556270 /nfs/dbraw/zinc/55/62/70/607556270.db2.gz NCALIMMGCDPZPA-QWRGUYRKSA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)C1 ZINC000826083568 607556037 /nfs/dbraw/zinc/55/60/37/607556037.db2.gz NCALIMMGCDPZPA-WDEREUQCSA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)C1 ZINC000826083568 607556036 /nfs/dbraw/zinc/55/60/36/607556036.db2.gz NCALIMMGCDPZPA-WDEREUQCSA-N -1 3 379.446 -0.183 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000826083611 607550200 /nfs/dbraw/zinc/55/02/00/607550200.db2.gz OQFPPSFOMILUSH-LLVKDONJSA-N -1 3 386.459 -0.513 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000826083611 607550198 /nfs/dbraw/zinc/55/01/98/607550198.db2.gz OQFPPSFOMILUSH-LLVKDONJSA-N -1 3 386.459 -0.513 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000826083612 607549943 /nfs/dbraw/zinc/54/99/43/607549943.db2.gz OQFPPSFOMILUSH-NSHDSACASA-N -1 3 386.459 -0.513 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000826083612 607549942 /nfs/dbraw/zinc/54/99/42/607549942.db2.gz OQFPPSFOMILUSH-NSHDSACASA-N -1 3 386.459 -0.513 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000826083616 607558056 /nfs/dbraw/zinc/55/80/56/607558056.db2.gz ORUKHMLGIJXZRW-JTQLQIEISA-N -1 3 393.429 -0.736 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000826083616 607558054 /nfs/dbraw/zinc/55/80/54/607558054.db2.gz ORUKHMLGIJXZRW-JTQLQIEISA-N -1 3 393.429 -0.736 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)C1 ZINC000826083617 607558401 /nfs/dbraw/zinc/55/84/01/607558401.db2.gz ORUKHMLGIJXZRW-SNVBAGLBSA-N -1 3 393.429 -0.736 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)C1 ZINC000826083617 607558399 /nfs/dbraw/zinc/55/83/99/607558399.db2.gz ORUKHMLGIJXZRW-SNVBAGLBSA-N -1 3 393.429 -0.736 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826083765 607550096 /nfs/dbraw/zinc/55/00/96/607550096.db2.gz PZBCUDAFXRMOBN-SECBINFHSA-N -1 3 390.422 -0.682 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826083766 607549969 /nfs/dbraw/zinc/54/99/69/607549969.db2.gz PZBCUDAFXRMOBN-VIFPVBQESA-N -1 3 390.422 -0.682 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000826083772 607556502 /nfs/dbraw/zinc/55/65/02/607556502.db2.gz QFPSEOYBXJFJOQ-SECBINFHSA-N -1 3 385.475 -0.120 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(CCC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC000826083773 607556067 /nfs/dbraw/zinc/55/60/67/607556067.db2.gz QFPSEOYBXJFJOQ-VIFPVBQESA-N -1 3 385.475 -0.120 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083785 607554691 /nfs/dbraw/zinc/55/46/91/607554691.db2.gz QRNYIOLERATTJG-CHWSQXEVSA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083785 607554689 /nfs/dbraw/zinc/55/46/89/607554689.db2.gz QRNYIOLERATTJG-CHWSQXEVSA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083786 607554787 /nfs/dbraw/zinc/55/47/87/607554787.db2.gz QRNYIOLERATTJG-OLZOCXBDSA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083786 607554785 /nfs/dbraw/zinc/55/47/85/607554785.db2.gz QRNYIOLERATTJG-OLZOCXBDSA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083787 607555217 /nfs/dbraw/zinc/55/52/17/607555217.db2.gz QRNYIOLERATTJG-QWHCGFSZSA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083787 607555215 /nfs/dbraw/zinc/55/52/15/607555215.db2.gz QRNYIOLERATTJG-QWHCGFSZSA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@H](C(=O)OC)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083788 607555016 /nfs/dbraw/zinc/55/50/16/607555016.db2.gz QRNYIOLERATTJG-STQMWFEESA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@H](C(=O)OC)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083788 607555015 /nfs/dbraw/zinc/55/50/15/607555015.db2.gz QRNYIOLERATTJG-STQMWFEESA-N -1 3 380.430 -0.296 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826083793 607558458 /nfs/dbraw/zinc/55/84/58/607558458.db2.gz QTNWBOJEDPGGJJ-JTQLQIEISA-N -1 3 395.449 -0.993 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826083793 607558457 /nfs/dbraw/zinc/55/84/57/607558457.db2.gz QTNWBOJEDPGGJJ-JTQLQIEISA-N -1 3 395.449 -0.993 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCNc2ncccc2-c2nn[n-]n2)C1 ZINC000826083794 607558455 /nfs/dbraw/zinc/55/84/55/607558455.db2.gz QTNWBOJEDPGGJJ-SNVBAGLBSA-N -1 3 395.449 -0.993 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCNc2ncccc2-c2nnn[n-]2)C1 ZINC000826083794 607558454 /nfs/dbraw/zinc/55/84/54/607558454.db2.gz QTNWBOJEDPGGJJ-SNVBAGLBSA-N -1 3 395.449 -0.993 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826083817 607550073 /nfs/dbraw/zinc/55/00/73/607550073.db2.gz RRTNHQLHZPXSBR-SECBINFHSA-N -1 3 390.422 -0.682 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826083817 607550071 /nfs/dbraw/zinc/55/00/71/607550071.db2.gz RRTNHQLHZPXSBR-SECBINFHSA-N -1 3 390.422 -0.682 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826083819 607549932 /nfs/dbraw/zinc/54/99/32/607549932.db2.gz RRTNHQLHZPXSBR-VIFPVBQESA-N -1 3 390.422 -0.682 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826083819 607549931 /nfs/dbraw/zinc/54/99/31/607549931.db2.gz RRTNHQLHZPXSBR-VIFPVBQESA-N -1 3 390.422 -0.682 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000826083943 607550260 /nfs/dbraw/zinc/55/02/60/607550260.db2.gz SBVDXCKCGAATMO-LLVKDONJSA-N -1 3 386.459 -0.513 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000826083943 607550258 /nfs/dbraw/zinc/55/02/58/607550258.db2.gz SBVDXCKCGAATMO-LLVKDONJSA-N -1 3 386.459 -0.513 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)C1 ZINC000826083945 607549975 /nfs/dbraw/zinc/54/99/75/607549975.db2.gz SBVDXCKCGAATMO-NSHDSACASA-N -1 3 386.459 -0.513 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)C1 ZINC000826083945 607549974 /nfs/dbraw/zinc/54/99/74/607549974.db2.gz SBVDXCKCGAATMO-NSHDSACASA-N -1 3 386.459 -0.513 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826083976 607559723 /nfs/dbraw/zinc/55/97/23/607559723.db2.gz SRICTAFHYBULIG-LLVKDONJSA-N -1 3 383.409 -0.161 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826083976 607559722 /nfs/dbraw/zinc/55/97/22/607559722.db2.gz SRICTAFHYBULIG-LLVKDONJSA-N -1 3 383.409 -0.161 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826083978 607559701 /nfs/dbraw/zinc/55/97/01/607559701.db2.gz SRICTAFHYBULIG-NSHDSACASA-N -1 3 383.409 -0.161 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826083978 607559700 /nfs/dbraw/zinc/55/97/00/607559700.db2.gz SRICTAFHYBULIG-NSHDSACASA-N -1 3 383.409 -0.161 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083983 607556436 /nfs/dbraw/zinc/55/64/36/607556436.db2.gz SSYZRDSJSZYDNB-CYBMUJFWSA-N -1 3 379.446 -0.894 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083983 607556434 /nfs/dbraw/zinc/55/64/34/607556434.db2.gz SSYZRDSJSZYDNB-CYBMUJFWSA-N -1 3 379.446 -0.894 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826083984 607556417 /nfs/dbraw/zinc/55/64/17/607556417.db2.gz SSYZRDSJSZYDNB-ZDUSSCGKSA-N -1 3 379.446 -0.894 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826083984 607556414 /nfs/dbraw/zinc/55/64/14/607556414.db2.gz SSYZRDSJSZYDNB-ZDUSSCGKSA-N -1 3 379.446 -0.894 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826084005 609228458 /nfs/dbraw/zinc/22/84/58/609228458.db2.gz TXWJYDNIYJGORC-CYBMUJFWSA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826084005 609228457 /nfs/dbraw/zinc/22/84/57/609228457.db2.gz TXWJYDNIYJGORC-CYBMUJFWSA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826084006 609228492 /nfs/dbraw/zinc/22/84/92/609228492.db2.gz TXWJYDNIYJGORC-ZDUSSCGKSA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826084006 609228490 /nfs/dbraw/zinc/22/84/90/609228490.db2.gz TXWJYDNIYJGORC-ZDUSSCGKSA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084019 607539185 /nfs/dbraw/zinc/53/91/85/607539185.db2.gz UDZLDXFMRUTWHZ-CYBMUJFWSA-N -1 3 395.445 -0.421 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084021 607539165 /nfs/dbraw/zinc/53/91/65/607539165.db2.gz UDZLDXFMRUTWHZ-ZDUSSCGKSA-N -1 3 395.445 -0.421 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000826084027 607556485 /nfs/dbraw/zinc/55/64/85/607556485.db2.gz UESSVMLQPHSERJ-GXSJLCMTSA-N -1 3 397.486 -0.343 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000826084027 607556482 /nfs/dbraw/zinc/55/64/82/607556482.db2.gz UESSVMLQPHSERJ-GXSJLCMTSA-N -1 3 397.486 -0.343 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000826084031 607556494 /nfs/dbraw/zinc/55/64/94/607556494.db2.gz UESSVMLQPHSERJ-KOLCDFICSA-N -1 3 397.486 -0.343 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000826084031 607556493 /nfs/dbraw/zinc/55/64/93/607556493.db2.gz UESSVMLQPHSERJ-KOLCDFICSA-N -1 3 397.486 -0.343 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000826084033 607556410 /nfs/dbraw/zinc/55/64/10/607556410.db2.gz UESSVMLQPHSERJ-MWLCHTKSSA-N -1 3 397.486 -0.343 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN([C@@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000826084033 607556408 /nfs/dbraw/zinc/55/64/08/607556408.db2.gz UESSVMLQPHSERJ-MWLCHTKSSA-N -1 3 397.486 -0.343 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@H]2CCN(c3sccc3-c3nn[n-]n3)C2=O)C1 ZINC000826084034 607556059 /nfs/dbraw/zinc/55/60/59/607556059.db2.gz UESSVMLQPHSERJ-ONGXEEELSA-N -1 3 397.486 -0.343 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN([C@H]2CCN(c3sccc3-c3nnn[n-]3)C2=O)C1 ZINC000826084034 607556057 /nfs/dbraw/zinc/55/60/57/607556057.db2.gz UESSVMLQPHSERJ-ONGXEEELSA-N -1 3 397.486 -0.343 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084057 607553113 /nfs/dbraw/zinc/55/31/13/607553113.db2.gz UREMASWAXUNUEU-GWCFXTLKSA-N -1 3 380.430 -0.216 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084061 607553299 /nfs/dbraw/zinc/55/32/99/607553299.db2.gz UREMASWAXUNUEU-GXFFZTMASA-N -1 3 380.430 -0.216 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084064 607553424 /nfs/dbraw/zinc/55/34/24/607553424.db2.gz UREMASWAXUNUEU-MFKMUULPSA-N -1 3 380.430 -0.216 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826084069 607552904 /nfs/dbraw/zinc/55/29/04/607552904.db2.gz UREMASWAXUNUEU-ZWNOBZJWSA-N -1 3 380.430 -0.216 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826084071 607558246 /nfs/dbraw/zinc/55/82/46/607558246.db2.gz UROANZLSHMTWPX-SECBINFHSA-N -1 3 397.392 -0.906 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826084071 607558244 /nfs/dbraw/zinc/55/82/44/607558244.db2.gz UROANZLSHMTWPX-SECBINFHSA-N -1 3 397.392 -0.906 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826084073 607557900 /nfs/dbraw/zinc/55/79/00/607557900.db2.gz UROANZLSHMTWPX-VIFPVBQESA-N -1 3 397.392 -0.906 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826084073 607557898 /nfs/dbraw/zinc/55/78/98/607557898.db2.gz UROANZLSHMTWPX-VIFPVBQESA-N -1 3 397.392 -0.906 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC000826084099 607550059 /nfs/dbraw/zinc/55/00/59/607550059.db2.gz VFPYVNHETQICEB-JTQLQIEISA-N -1 3 386.459 -0.513 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC000826084099 607550057 /nfs/dbraw/zinc/55/00/57/607550057.db2.gz VFPYVNHETQICEB-JTQLQIEISA-N -1 3 386.459 -0.513 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)C1 ZINC000826084102 607549895 /nfs/dbraw/zinc/54/98/95/607549895.db2.gz VFPYVNHETQICEB-SNVBAGLBSA-N -1 3 386.459 -0.513 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)C1 ZINC000826084102 607549894 /nfs/dbraw/zinc/54/98/94/607549894.db2.gz VFPYVNHETQICEB-SNVBAGLBSA-N -1 3 386.459 -0.513 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000826084239 607553328 /nfs/dbraw/zinc/55/33/28/607553328.db2.gz WAVYERXYEMYAIO-GHMZBOCLSA-N -1 3 380.430 -0.216 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000826084239 607553326 /nfs/dbraw/zinc/55/33/26/607553326.db2.gz WAVYERXYEMYAIO-GHMZBOCLSA-N -1 3 380.430 -0.216 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000826084240 607553019 /nfs/dbraw/zinc/55/30/19/607553019.db2.gz WAVYERXYEMYAIO-MNOVXSKESA-N -1 3 380.430 -0.216 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000826084240 607553017 /nfs/dbraw/zinc/55/30/17/607553017.db2.gz WAVYERXYEMYAIO-MNOVXSKESA-N -1 3 380.430 -0.216 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000826084241 607552910 /nfs/dbraw/zinc/55/29/10/607552910.db2.gz WAVYERXYEMYAIO-QWRGUYRKSA-N -1 3 380.430 -0.216 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000826084241 607552909 /nfs/dbraw/zinc/55/29/09/607552909.db2.gz WAVYERXYEMYAIO-QWRGUYRKSA-N -1 3 380.430 -0.216 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC000826084242 607552907 /nfs/dbraw/zinc/55/29/07/607552907.db2.gz WAVYERXYEMYAIO-WDEREUQCSA-N -1 3 380.430 -0.216 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC000826084242 607552906 /nfs/dbraw/zinc/55/29/06/607552906.db2.gz WAVYERXYEMYAIO-WDEREUQCSA-N -1 3 380.430 -0.216 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826084257 607558366 /nfs/dbraw/zinc/55/83/66/607558366.db2.gz WUTGLTJAGYCSQW-SECBINFHSA-N -1 3 397.392 -0.906 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826084257 607558364 /nfs/dbraw/zinc/55/83/64/607558364.db2.gz WUTGLTJAGYCSQW-SECBINFHSA-N -1 3 397.392 -0.906 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC000826084258 607558219 /nfs/dbraw/zinc/55/82/19/607558219.db2.gz WUTGLTJAGYCSQW-VIFPVBQESA-N -1 3 397.392 -0.906 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826084258 607558217 /nfs/dbraw/zinc/55/82/17/607558217.db2.gz WUTGLTJAGYCSQW-VIFPVBQESA-N -1 3 397.392 -0.906 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000826084380 607561186 /nfs/dbraw/zinc/56/11/86/607561186.db2.gz ZEVUZZCYAGTEPQ-LLVKDONJSA-N -1 3 396.429 -0.596 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000826084380 607561184 /nfs/dbraw/zinc/56/11/84/607561184.db2.gz ZEVUZZCYAGTEPQ-LLVKDONJSA-N -1 3 396.429 -0.596 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)COc2ccc(-c3nn[n-]n3)cc2OC)C1 ZINC000826084381 607561119 /nfs/dbraw/zinc/56/11/19/607561119.db2.gz ZEVUZZCYAGTEPQ-NSHDSACASA-N -1 3 396.429 -0.596 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)COc2ccc(-c3nnn[n-]3)cc2OC)C1 ZINC000826084381 607561116 /nfs/dbraw/zinc/56/11/16/607561116.db2.gz ZEVUZZCYAGTEPQ-NSHDSACASA-N -1 3 396.429 -0.596 20 0 GBADHM CNS(=O)(=O)CCC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826089915 608382428 /nfs/dbraw/zinc/38/24/28/608382428.db2.gz AGHVWGHTAOLHNH-UHFFFAOYSA-N -1 3 393.385 -0.101 20 0 GBADHM CNS(=O)(=O)CCC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826089915 608382426 /nfs/dbraw/zinc/38/24/26/608382426.db2.gz AGHVWGHTAOLHNH-UHFFFAOYSA-N -1 3 393.385 -0.101 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826090035 947425368 /nfs/dbraw/zinc/42/53/68/947425368.db2.gz CAKUUBYPOHMGAW-SECBINFHSA-N -1 3 382.402 -0.324 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826090035 947425360 /nfs/dbraw/zinc/42/53/60/947425360.db2.gz CAKUUBYPOHMGAW-SECBINFHSA-N -1 3 382.402 -0.324 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826090042 947424828 /nfs/dbraw/zinc/42/48/28/947424828.db2.gz CAKUUBYPOHMGAW-VIFPVBQESA-N -1 3 382.402 -0.324 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826090042 947424820 /nfs/dbraw/zinc/42/48/20/947424820.db2.gz CAKUUBYPOHMGAW-VIFPVBQESA-N -1 3 382.402 -0.324 20 0 GBADHM CNS(=O)(=O)CCC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000826090080 947424800 /nfs/dbraw/zinc/42/48/00/947424800.db2.gz CFIDWKITRLLSEY-UHFFFAOYSA-N -1 3 386.390 -0.502 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826090410 947424147 /nfs/dbraw/zinc/42/41/47/947424147.db2.gz HAUPNFQIRLHNFD-GFCCVEGCSA-N -1 3 394.413 -0.546 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826090410 947424141 /nfs/dbraw/zinc/42/41/41/947424141.db2.gz HAUPNFQIRLHNFD-GFCCVEGCSA-N -1 3 394.413 -0.546 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826090413 947424389 /nfs/dbraw/zinc/42/43/89/947424389.db2.gz HAUPNFQIRLHNFD-LBPRGKRZSA-N -1 3 394.413 -0.546 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826090413 947424381 /nfs/dbraw/zinc/42/43/81/947424381.db2.gz HAUPNFQIRLHNFD-LBPRGKRZSA-N -1 3 394.413 -0.546 20 0 GBADHM CNS(=O)(=O)CC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826090577 609312685 /nfs/dbraw/zinc/31/26/85/609312685.db2.gz JEZGTDKJBGEQST-UHFFFAOYSA-N -1 3 380.365 -0.321 20 0 GBADHM CNS(=O)(=O)CC(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826090619 608642071 /nfs/dbraw/zinc/64/20/71/608642071.db2.gz JXHAWDUGXUPHHZ-UHFFFAOYSA-N -1 3 395.445 -0.383 20 0 GBADHM CNS(=O)(=O)CC(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826090619 608642070 /nfs/dbraw/zinc/64/20/70/608642070.db2.gz JXHAWDUGXUPHHZ-UHFFFAOYSA-N -1 3 395.445 -0.383 20 0 GBADHM CNS(=O)(=O)CCCOC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826090646 609239116 /nfs/dbraw/zinc/23/91/16/609239116.db2.gz KMVFQAHYMXAFSU-UHFFFAOYSA-N -1 3 382.402 -0.921 20 0 GBADHM CNS(=O)(=O)CCCOC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826090646 609239114 /nfs/dbraw/zinc/23/91/14/609239114.db2.gz KMVFQAHYMXAFSU-UHFFFAOYSA-N -1 3 382.402 -0.921 20 0 GBADHM CNS(=O)(=O)CCC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826090746 947424364 /nfs/dbraw/zinc/42/43/64/947424364.db2.gz NMKBQKUIQCZHOF-UHFFFAOYSA-N -1 3 393.385 -0.101 20 0 GBADHM CNS(=O)(=O)CCC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826090746 947424356 /nfs/dbraw/zinc/42/43/56/947424356.db2.gz NMKBQKUIQCZHOF-UHFFFAOYSA-N -1 3 393.385 -0.101 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000826090758 608382230 /nfs/dbraw/zinc/38/22/30/608382230.db2.gz NWSDMFMYPGYGCZ-GFCCVEGCSA-N -1 3 383.386 -0.437 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000826090758 608382228 /nfs/dbraw/zinc/38/22/28/608382228.db2.gz NWSDMFMYPGYGCZ-GFCCVEGCSA-N -1 3 383.386 -0.437 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000826090759 608382192 /nfs/dbraw/zinc/38/21/92/608382192.db2.gz NWSDMFMYPGYGCZ-LBPRGKRZSA-N -1 3 383.386 -0.437 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000826090759 608382190 /nfs/dbraw/zinc/38/21/90/608382190.db2.gz NWSDMFMYPGYGCZ-LBPRGKRZSA-N -1 3 383.386 -0.437 20 0 GBADHM CNS(=O)(=O)CCC(=O)OCc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000826090762 608382198 /nfs/dbraw/zinc/38/21/98/608382198.db2.gz NXWAUZPFUFEULE-UHFFFAOYSA-N -1 3 383.386 -0.364 20 0 GBADHM CNS(=O)(=O)CCC(=O)OCc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000826090762 608382196 /nfs/dbraw/zinc/38/21/96/608382196.db2.gz NXWAUZPFUFEULE-UHFFFAOYSA-N -1 3 383.386 -0.364 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826090978 947425442 /nfs/dbraw/zinc/42/54/42/947425442.db2.gz TVZAHLRPNOPPBX-SECBINFHSA-N -1 3 382.402 -0.324 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826090978 947425437 /nfs/dbraw/zinc/42/54/37/947425437.db2.gz TVZAHLRPNOPPBX-SECBINFHSA-N -1 3 382.402 -0.324 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826090979 947423600 /nfs/dbraw/zinc/42/36/00/947423600.db2.gz TVZAHLRPNOPPBX-VIFPVBQESA-N -1 3 382.402 -0.324 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826090979 947423590 /nfs/dbraw/zinc/42/35/90/947423590.db2.gz TVZAHLRPNOPPBX-VIFPVBQESA-N -1 3 382.402 -0.324 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826090981 947424043 /nfs/dbraw/zinc/42/40/43/947424043.db2.gz TXFHJSJLTHAXEE-CHWSQXEVSA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826090981 947424036 /nfs/dbraw/zinc/42/40/36/947424036.db2.gz TXFHJSJLTHAXEE-CHWSQXEVSA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826090982 947425403 /nfs/dbraw/zinc/42/54/03/947425403.db2.gz TXFHJSJLTHAXEE-OLZOCXBDSA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826090982 947425399 /nfs/dbraw/zinc/42/53/99/947425399.db2.gz TXFHJSJLTHAXEE-OLZOCXBDSA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826090983 947424875 /nfs/dbraw/zinc/42/48/75/947424875.db2.gz TXFHJSJLTHAXEE-QWHCGFSZSA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826090983 947424871 /nfs/dbraw/zinc/42/48/71/947424871.db2.gz TXFHJSJLTHAXEE-QWHCGFSZSA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826090984 947424226 /nfs/dbraw/zinc/42/42/26/947424226.db2.gz TXFHJSJLTHAXEE-STQMWFEESA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826090984 947424219 /nfs/dbraw/zinc/42/42/19/947424219.db2.gz TXFHJSJLTHAXEE-STQMWFEESA-N -1 3 380.430 -0.560 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000826091167 608382163 /nfs/dbraw/zinc/38/21/63/608382163.db2.gz XMUPLKWXJMKJNH-GFCCVEGCSA-N -1 3 383.386 -0.437 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000826091167 608382160 /nfs/dbraw/zinc/38/21/60/608382160.db2.gz XMUPLKWXJMKJNH-GFCCVEGCSA-N -1 3 383.386 -0.437 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000826091168 608382544 /nfs/dbraw/zinc/38/25/44/608382544.db2.gz XMUPLKWXJMKJNH-LBPRGKRZSA-N -1 3 383.386 -0.437 20 0 GBADHM CNS(=O)(=O)CCC(=O)O[C@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000826091168 608382542 /nfs/dbraw/zinc/38/25/42/608382542.db2.gz XMUPLKWXJMKJNH-LBPRGKRZSA-N -1 3 383.386 -0.437 20 0 GBADHM CNS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826091202 609265845 /nfs/dbraw/zinc/26/58/45/609265845.db2.gz YYKRAALFNJCFTH-GFCCVEGCSA-N -1 3 393.429 -0.973 20 0 GBADHM CNS(=O)(=O)CC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826091202 609265844 /nfs/dbraw/zinc/26/58/44/609265844.db2.gz YYKRAALFNJCFTH-GFCCVEGCSA-N -1 3 393.429 -0.973 20 0 GBADHM CNS(=O)(=O)CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826091203 609265478 /nfs/dbraw/zinc/26/54/78/609265478.db2.gz YYKRAALFNJCFTH-LBPRGKRZSA-N -1 3 393.429 -0.973 20 0 GBADHM CNS(=O)(=O)CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826091203 609265477 /nfs/dbraw/zinc/26/54/77/609265477.db2.gz YYKRAALFNJCFTH-LBPRGKRZSA-N -1 3 393.429 -0.973 20 0 GBADHM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826103406 608565688 /nfs/dbraw/zinc/56/56/88/608565688.db2.gz GCRSKNWVNKYXIR-MRVPVSSYSA-N -1 3 395.319 -0.302 20 0 GBADHM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826103407 608565520 /nfs/dbraw/zinc/56/55/20/608565520.db2.gz GCRSKNWVNKYXIR-QMMMGPOBSA-N -1 3 395.319 -0.302 20 0 GBADHM COC(=O)[C@@H](CO)NC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000826104376 609295633 /nfs/dbraw/zinc/29/56/33/609295633.db2.gz VQBQPXJGGVYRCP-LLVKDONJSA-N -1 3 379.373 -0.316 20 0 GBADHM COC(=O)[C@@H](CO)NC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000826104376 609295632 /nfs/dbraw/zinc/29/56/32/609295632.db2.gz VQBQPXJGGVYRCP-LLVKDONJSA-N -1 3 379.373 -0.316 20 0 GBADHM COC(=O)[C@H](CO)NC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000826104377 609295169 /nfs/dbraw/zinc/29/51/69/609295169.db2.gz VQBQPXJGGVYRCP-NSHDSACASA-N -1 3 379.373 -0.316 20 0 GBADHM COC(=O)[C@H](CO)NC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000826104377 609295168 /nfs/dbraw/zinc/29/51/68/609295168.db2.gz VQBQPXJGGVYRCP-NSHDSACASA-N -1 3 379.373 -0.316 20 0 GBADHM COC(=O)[C@H](CC(F)F)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826104410 608088324 /nfs/dbraw/zinc/08/83/24/608088324.db2.gz WCIZDFXRLGYVRJ-JTQLQIEISA-N -1 3 382.327 -0.091 20 0 GBADHM COC(=O)[C@H](CC(F)F)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826104410 608088323 /nfs/dbraw/zinc/08/83/23/608088323.db2.gz WCIZDFXRLGYVRJ-JTQLQIEISA-N -1 3 382.327 -0.091 20 0 GBADHM COC(=O)[C@@H](CC(F)F)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826104411 608088484 /nfs/dbraw/zinc/08/84/84/608088484.db2.gz WCIZDFXRLGYVRJ-SNVBAGLBSA-N -1 3 382.327 -0.091 20 0 GBADHM COC(=O)[C@@H](CC(F)F)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826104411 608088483 /nfs/dbraw/zinc/08/84/83/608088483.db2.gz WCIZDFXRLGYVRJ-SNVBAGLBSA-N -1 3 382.327 -0.091 20 0 GBADHM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826104502 608565364 /nfs/dbraw/zinc/56/53/64/608565364.db2.gz XXGZVUXDTYTRNU-SECBINFHSA-N -1 3 395.319 -0.302 20 0 GBADHM COC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826104502 608565363 /nfs/dbraw/zinc/56/53/63/608565363.db2.gz XXGZVUXDTYTRNU-SECBINFHSA-N -1 3 395.319 -0.302 20 0 GBADHM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826104503 608565377 /nfs/dbraw/zinc/56/53/77/608565377.db2.gz XXGZVUXDTYTRNU-VIFPVBQESA-N -1 3 395.319 -0.302 20 0 GBADHM COC(=O)[C@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826104503 608565376 /nfs/dbraw/zinc/56/53/76/608565376.db2.gz XXGZVUXDTYTRNU-VIFPVBQESA-N -1 3 395.319 -0.302 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111564 609253551 /nfs/dbraw/zinc/25/35/51/609253551.db2.gz HFZAAQJLHXKUPH-KBPBESRZSA-N -1 3 375.385 -0.327 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826111564 609253549 /nfs/dbraw/zinc/25/35/49/609253549.db2.gz HFZAAQJLHXKUPH-KBPBESRZSA-N -1 3 375.385 -0.327 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111565 609253556 /nfs/dbraw/zinc/25/35/56/609253556.db2.gz HFZAAQJLHXKUPH-KGLIPLIRSA-N -1 3 375.385 -0.327 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826111565 609253554 /nfs/dbraw/zinc/25/35/54/609253554.db2.gz HFZAAQJLHXKUPH-KGLIPLIRSA-N -1 3 375.385 -0.327 20 0 GBADHM COC(=O)[C@H](O)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111566 609253591 /nfs/dbraw/zinc/25/35/91/609253591.db2.gz HFZAAQJLHXKUPH-UONOGXRCSA-N -1 3 375.385 -0.327 20 0 GBADHM COC(=O)[C@H](O)C1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826111566 609253589 /nfs/dbraw/zinc/25/35/89/609253589.db2.gz HFZAAQJLHXKUPH-UONOGXRCSA-N -1 3 375.385 -0.327 20 0 GBADHM COC(=O)[C@H](O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111567 609253876 /nfs/dbraw/zinc/25/38/76/609253876.db2.gz HFZAAQJLHXKUPH-ZIAGYGMSSA-N -1 3 375.385 -0.327 20 0 GBADHM COC(=O)[C@H](O)C1CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826111567 609253873 /nfs/dbraw/zinc/25/38/73/609253873.db2.gz HFZAAQJLHXKUPH-ZIAGYGMSSA-N -1 3 375.385 -0.327 20 0 GBADHM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111642 607632323 /nfs/dbraw/zinc/63/23/23/607632323.db2.gz JCVMSDLVCNTONS-CYBMUJFWSA-N -1 3 388.384 -0.422 20 0 GBADHM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826111642 607632322 /nfs/dbraw/zinc/63/23/22/607632322.db2.gz JCVMSDLVCNTONS-CYBMUJFWSA-N -1 3 388.384 -0.422 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111643 607632495 /nfs/dbraw/zinc/63/24/95/607632495.db2.gz JCVMSDLVCNTONS-ZDUSSCGKSA-N -1 3 388.384 -0.422 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826111643 607632494 /nfs/dbraw/zinc/63/24/94/607632494.db2.gz JCVMSDLVCNTONS-ZDUSSCGKSA-N -1 3 388.384 -0.422 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111688 607525503 /nfs/dbraw/zinc/52/55/03/607525503.db2.gz KAIKMPGOXODLIW-INIZCTEOSA-N -1 3 388.428 -0.271 20 0 GBADHM COC(=O)[C@H](O)C1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826111689 607525285 /nfs/dbraw/zinc/52/52/85/607525285.db2.gz KAIKMPGOXODLIW-MRXNPFEDSA-N -1 3 388.428 -0.271 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826111698 607525997 /nfs/dbraw/zinc/52/59/97/607525997.db2.gz KBZOFYLQHHZLLL-INIZCTEOSA-N -1 3 388.428 -0.271 20 0 GBADHM COC(=O)[C@H](O)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826111699 607526170 /nfs/dbraw/zinc/52/61/70/607526170.db2.gz KBZOFYLQHHZLLL-MRXNPFEDSA-N -1 3 388.428 -0.271 20 0 GBADHM COC(=O)[C@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826112038 607807792 /nfs/dbraw/zinc/80/77/92/607807792.db2.gz QVRBCFARSPUHOJ-BXUZGUMPSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826112038 607807791 /nfs/dbraw/zinc/80/77/91/607807791.db2.gz QVRBCFARSPUHOJ-BXUZGUMPSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826112039 607808028 /nfs/dbraw/zinc/80/80/28/607808028.db2.gz QVRBCFARSPUHOJ-FZMZJTMJSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826112039 607808027 /nfs/dbraw/zinc/80/80/27/607808027.db2.gz QVRBCFARSPUHOJ-FZMZJTMJSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826112040 607807966 /nfs/dbraw/zinc/80/79/66/607807966.db2.gz QVRBCFARSPUHOJ-RISCZKNCSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826112040 607807965 /nfs/dbraw/zinc/80/79/65/607807965.db2.gz QVRBCFARSPUHOJ-RISCZKNCSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826112041 607807987 /nfs/dbraw/zinc/80/79/87/607807987.db2.gz QVRBCFARSPUHOJ-SMDDNHRTSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826112041 607807986 /nfs/dbraw/zinc/80/79/86/607807986.db2.gz QVRBCFARSPUHOJ-SMDDNHRTSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826112224 607807898 /nfs/dbraw/zinc/80/78/98/607807898.db2.gz VIWVEHDMVGKBBQ-BXUZGUMPSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826112224 607807897 /nfs/dbraw/zinc/80/78/97/607807897.db2.gz VIWVEHDMVGKBBQ-BXUZGUMPSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826112225 607807904 /nfs/dbraw/zinc/80/79/04/607807904.db2.gz VIWVEHDMVGKBBQ-FZMZJTMJSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826112225 607807903 /nfs/dbraw/zinc/80/79/03/607807903.db2.gz VIWVEHDMVGKBBQ-FZMZJTMJSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826112226 607807813 /nfs/dbraw/zinc/80/78/13/607807813.db2.gz VIWVEHDMVGKBBQ-RISCZKNCSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@@H](NC[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826112226 607807812 /nfs/dbraw/zinc/80/78/12/607807812.db2.gz VIWVEHDMVGKBBQ-RISCZKNCSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826112227 607807822 /nfs/dbraw/zinc/80/78/22/607807822.db2.gz VIWVEHDMVGKBBQ-SMDDNHRTSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@H](NC[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826112227 607807821 /nfs/dbraw/zinc/80/78/21/607807821.db2.gz VIWVEHDMVGKBBQ-SMDDNHRTSA-N -1 3 394.457 -0.048 20 0 GBADHM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826112382 607632388 /nfs/dbraw/zinc/63/23/88/607632388.db2.gz ZFMGFARBIVEMDQ-CYBMUJFWSA-N -1 3 388.384 -0.422 20 0 GBADHM COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826112382 607632387 /nfs/dbraw/zinc/63/23/87/607632387.db2.gz ZFMGFARBIVEMDQ-CYBMUJFWSA-N -1 3 388.384 -0.422 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826112383 607632287 /nfs/dbraw/zinc/63/22/87/607632287.db2.gz ZFMGFARBIVEMDQ-ZDUSSCGKSA-N -1 3 388.384 -0.422 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826112383 607632286 /nfs/dbraw/zinc/63/22/86/607632286.db2.gz ZFMGFARBIVEMDQ-ZDUSSCGKSA-N -1 3 388.384 -0.422 20 0 GBADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826116516 607678380 /nfs/dbraw/zinc/67/83/80/607678380.db2.gz ANYNNYHSXSPJCW-CYBMUJFWSA-N -1 3 381.414 -0.199 20 0 GBADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826116516 607678378 /nfs/dbraw/zinc/67/83/78/607678378.db2.gz ANYNNYHSXSPJCW-CYBMUJFWSA-N -1 3 381.414 -0.199 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826116524 607678286 /nfs/dbraw/zinc/67/82/86/607678286.db2.gz ANYNNYHSXSPJCW-ZDUSSCGKSA-N -1 3 381.414 -0.199 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826116524 607678285 /nfs/dbraw/zinc/67/82/85/607678285.db2.gz ANYNNYHSXSPJCW-ZDUSSCGKSA-N -1 3 381.414 -0.199 20 0 GBADHM COC(=O)[C@H](OC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116636 607975353 /nfs/dbraw/zinc/97/53/53/607975353.db2.gz CJULZSMGEBZDEP-GZMMTYOYSA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@H](OC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826116636 607975352 /nfs/dbraw/zinc/97/53/52/607975352.db2.gz CJULZSMGEBZDEP-GZMMTYOYSA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@@H](OC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116637 607975686 /nfs/dbraw/zinc/97/56/86/607975686.db2.gz CJULZSMGEBZDEP-KCJUWKMLSA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@@H](OC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826116637 607975685 /nfs/dbraw/zinc/97/56/85/607975685.db2.gz CJULZSMGEBZDEP-KCJUWKMLSA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@@H](OC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116638 607975571 /nfs/dbraw/zinc/97/55/71/607975571.db2.gz CJULZSMGEBZDEP-KWQFWETISA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@@H](OC(=O)[C@H](C)NS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826116638 607975570 /nfs/dbraw/zinc/97/55/70/607975570.db2.gz CJULZSMGEBZDEP-KWQFWETISA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@H](OC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116639 607975485 /nfs/dbraw/zinc/97/54/85/607975485.db2.gz CJULZSMGEBZDEP-LDYMZIIASA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@H](OC(=O)[C@@H](C)NS(C)(=O)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826116639 607975484 /nfs/dbraw/zinc/97/54/84/607975484.db2.gz CJULZSMGEBZDEP-LDYMZIIASA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826116739 607678350 /nfs/dbraw/zinc/67/83/50/607678350.db2.gz CVXLMBNCVFRWLU-CYBMUJFWSA-N -1 3 381.414 -0.199 20 0 GBADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826116739 607678348 /nfs/dbraw/zinc/67/83/48/607678348.db2.gz CVXLMBNCVFRWLU-CYBMUJFWSA-N -1 3 381.414 -0.199 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826116741 607678275 /nfs/dbraw/zinc/67/82/75/607678275.db2.gz CVXLMBNCVFRWLU-ZDUSSCGKSA-N -1 3 381.414 -0.199 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826116741 607678273 /nfs/dbraw/zinc/67/82/73/607678273.db2.gz CVXLMBNCVFRWLU-ZDUSSCGKSA-N -1 3 381.414 -0.199 20 0 GBADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826117374 607678831 /nfs/dbraw/zinc/67/88/31/607678831.db2.gz KKTSEEDFHCTMJY-CYBMUJFWSA-N -1 3 399.404 -0.060 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826117375 607679102 /nfs/dbraw/zinc/67/91/02/607679102.db2.gz KKTSEEDFHCTMJY-ZDUSSCGKSA-N -1 3 399.404 -0.060 20 0 GBADHM COC(=O)[C@H](OC(=O)Cn1cc([C@H](C)O)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117515 609240396 /nfs/dbraw/zinc/24/03/96/609240396.db2.gz MQMXRBWBBCXXCY-LKFCYVNXSA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@H](OC(=O)Cn1cc([C@H](C)O)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117515 609240395 /nfs/dbraw/zinc/24/03/95/609240395.db2.gz MQMXRBWBBCXXCY-LKFCYVNXSA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@@H](OC(=O)Cn1cc([C@@H](C)O)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117518 609240705 /nfs/dbraw/zinc/24/07/05/609240705.db2.gz MQMXRBWBBCXXCY-OTYXRUKQSA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@@H](OC(=O)Cn1cc([C@@H](C)O)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117518 609240703 /nfs/dbraw/zinc/24/07/03/609240703.db2.gz MQMXRBWBBCXXCY-OTYXRUKQSA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@@H](OC(=O)Cn1cc([C@H](C)O)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117519 609240626 /nfs/dbraw/zinc/24/06/26/609240626.db2.gz MQMXRBWBBCXXCY-XPTSAGLGSA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@@H](OC(=O)Cn1cc([C@H](C)O)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117519 609240625 /nfs/dbraw/zinc/24/06/25/609240625.db2.gz MQMXRBWBBCXXCY-XPTSAGLGSA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@H](OC(=O)Cn1cc([C@@H](C)O)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826117520 609240448 /nfs/dbraw/zinc/24/04/48/609240448.db2.gz MQMXRBWBBCXXCY-YMTOWFKASA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@H](OC(=O)Cn1cc([C@@H](C)O)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826117520 609240447 /nfs/dbraw/zinc/24/04/47/609240447.db2.gz MQMXRBWBBCXXCY-YMTOWFKASA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826117626 607679056 /nfs/dbraw/zinc/67/90/56/607679056.db2.gz OLMNARNWQIDCNX-AWEZNQCLSA-N -1 3 395.441 -0.058 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826117626 607679054 /nfs/dbraw/zinc/67/90/54/607679054.db2.gz OLMNARNWQIDCNX-AWEZNQCLSA-N -1 3 395.441 -0.058 20 0 GBADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826117627 607678678 /nfs/dbraw/zinc/67/86/78/607678678.db2.gz OLMNARNWQIDCNX-CQSZACIVSA-N -1 3 395.441 -0.058 20 0 GBADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826117627 607678677 /nfs/dbraw/zinc/67/86/77/607678677.db2.gz OLMNARNWQIDCNX-CQSZACIVSA-N -1 3 395.441 -0.058 20 0 GBADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000826117700 607678871 /nfs/dbraw/zinc/67/88/71/607678871.db2.gz PXNNLSHKFDGERB-CYBMUJFWSA-N -1 3 381.414 -0.199 20 0 GBADHM COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000826117700 607678868 /nfs/dbraw/zinc/67/88/68/607678868.db2.gz PXNNLSHKFDGERB-CYBMUJFWSA-N -1 3 381.414 -0.199 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000826117701 607678654 /nfs/dbraw/zinc/67/86/54/607678654.db2.gz PXNNLSHKFDGERB-ZDUSSCGKSA-N -1 3 381.414 -0.199 20 0 GBADHM COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000826117701 607678653 /nfs/dbraw/zinc/67/86/53/607678653.db2.gz PXNNLSHKFDGERB-ZDUSSCGKSA-N -1 3 381.414 -0.199 20 0 GBADHM COC(=O)[C@H](OC(=O)Cn1cc([C@H](C)O)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117720 609240274 /nfs/dbraw/zinc/24/02/74/609240274.db2.gz QKAITDNCSBDALO-LKFCYVNXSA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@H](OC(=O)Cn1cc([C@H](C)O)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117720 609240272 /nfs/dbraw/zinc/24/02/72/609240272.db2.gz QKAITDNCSBDALO-LKFCYVNXSA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@@H](OC(=O)Cn1cc([C@@H](C)O)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117721 609240369 /nfs/dbraw/zinc/24/03/69/609240369.db2.gz QKAITDNCSBDALO-OTYXRUKQSA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@@H](OC(=O)Cn1cc([C@@H](C)O)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117721 609240368 /nfs/dbraw/zinc/24/03/68/609240368.db2.gz QKAITDNCSBDALO-OTYXRUKQSA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@@H](OC(=O)Cn1cc([C@H](C)O)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117722 609240535 /nfs/dbraw/zinc/24/05/35/609240535.db2.gz QKAITDNCSBDALO-XPTSAGLGSA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@@H](OC(=O)Cn1cc([C@H](C)O)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117722 609240533 /nfs/dbraw/zinc/24/05/33/609240533.db2.gz QKAITDNCSBDALO-XPTSAGLGSA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@H](OC(=O)Cn1cc([C@@H](C)O)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117723 609240312 /nfs/dbraw/zinc/24/03/12/609240312.db2.gz QKAITDNCSBDALO-YMTOWFKASA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@H](OC(=O)Cn1cc([C@@H](C)O)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117723 609240310 /nfs/dbraw/zinc/24/03/10/609240310.db2.gz QKAITDNCSBDALO-YMTOWFKASA-N -1 3 387.356 -0.031 20 0 GBADHM COC(=O)[C@H](OC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826117752 607975820 /nfs/dbraw/zinc/97/58/20/607975820.db2.gz RESJEUJFEBODCJ-GZMMTYOYSA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@H](OC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826117752 607975819 /nfs/dbraw/zinc/97/58/19/607975819.db2.gz RESJEUJFEBODCJ-GZMMTYOYSA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@@H](OC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826117753 607975847 /nfs/dbraw/zinc/97/58/47/607975847.db2.gz RESJEUJFEBODCJ-KCJUWKMLSA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@@H](OC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826117753 607975846 /nfs/dbraw/zinc/97/58/46/607975846.db2.gz RESJEUJFEBODCJ-KCJUWKMLSA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@@H](OC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826117754 607975887 /nfs/dbraw/zinc/97/58/87/607975887.db2.gz RESJEUJFEBODCJ-KWQFWETISA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@@H](OC(=O)[C@H](C)NS(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826117754 607975886 /nfs/dbraw/zinc/97/58/86/607975886.db2.gz RESJEUJFEBODCJ-KWQFWETISA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@H](OC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826117755 607975778 /nfs/dbraw/zinc/97/57/78/607975778.db2.gz RESJEUJFEBODCJ-LDYMZIIASA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@H](OC(=O)[C@@H](C)NS(C)(=O)=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826117755 607975777 /nfs/dbraw/zinc/97/57/77/607975777.db2.gz RESJEUJFEBODCJ-LDYMZIIASA-N -1 3 383.386 -0.438 20 0 GBADHM COC(=O)[C@H](OC(=O)c1cn(C)c(=O)[nH]c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826117796 609161707 /nfs/dbraw/zinc/16/17/07/609161707.db2.gz SAFOLIGFTNSYQL-LLVKDONJSA-N -1 3 386.324 -0.263 20 0 GBADHM COC(=O)[C@H](OC(=O)c1cn(C)c(=O)[nH]c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826117796 609161706 /nfs/dbraw/zinc/16/17/06/609161706.db2.gz SAFOLIGFTNSYQL-LLVKDONJSA-N -1 3 386.324 -0.263 20 0 GBADHM 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COC1(C)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826143842 609261289 /nfs/dbraw/zinc/26/12/89/609261289.db2.gz RPXOEFRAQOIZDQ-SNVBAGLBSA-N -1 3 380.430 -0.219 20 0 GBADHM COC1(C)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826143842 609261288 /nfs/dbraw/zinc/26/12/88/609261288.db2.gz RPXOEFRAQOIZDQ-SNVBAGLBSA-N -1 3 380.430 -0.219 20 0 GBADHM COCC(=O)N(C)CC(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826147532 607987036 /nfs/dbraw/zinc/98/70/36/607987036.db2.gz AJWPOGUYOIBGNS-UHFFFAOYSA-N -1 3 385.388 -0.450 20 0 GBADHM COCC(=O)N(C)CC(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826147532 607987035 /nfs/dbraw/zinc/98/70/35/607987035.db2.gz AJWPOGUYOIBGNS-UHFFFAOYSA-N -1 3 385.388 -0.450 20 0 GBADHM COCC(=O)N(C)CC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000826147544 608192218 /nfs/dbraw/zinc/19/22/18/608192218.db2.gz AUEXXJMJOOUUIE-UHFFFAOYSA-N -1 3 384.400 -0.022 20 0 GBADHM COCC(=O)N(C)CC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000826147544 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GBADHM COCC(=O)N(C)CC(=O)O[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000826147991 607979713 /nfs/dbraw/zinc/97/97/13/607979713.db2.gz UJDXYRLTGOVWLS-AWEZNQCLSA-N -1 3 377.357 -0.271 20 0 GBADHM COCC(=O)N(C)CC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000826147992 607979468 /nfs/dbraw/zinc/97/94/68/607979468.db2.gz UJDXYRLTGOVWLS-CQSZACIVSA-N -1 3 377.357 -0.271 20 0 GBADHM COCC(=O)N(C)CC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000826147992 607979467 /nfs/dbraw/zinc/97/94/67/607979467.db2.gz UJDXYRLTGOVWLS-CQSZACIVSA-N -1 3 377.357 -0.271 20 0 GBADHM COCC(=O)N(C)CC(=O)OCC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826148010 607979602 /nfs/dbraw/zinc/97/96/02/607979602.db2.gz VDFSVZGXGKFPQV-UHFFFAOYSA-N -1 3 376.373 -0.869 20 0 GBADHM COCC(=O)N(C)CC(=O)OCC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826148010 607979601 /nfs/dbraw/zinc/97/96/01/607979601.db2.gz VDFSVZGXGKFPQV-UHFFFAOYSA-N -1 3 376.373 -0.869 20 0 GBADHM COCC(=O)N1CCN(S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)CC1 ZINC000826148041 607544498 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0 GBADHM COCC(=O)N(C)CC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC000826148076 607979456 /nfs/dbraw/zinc/97/94/56/607979456.db2.gz XUBZOCGLHTUGJA-CQSZACIVSA-N -1 3 377.357 -0.271 20 0 GBADHM COCC(=O)N(C)CC(=O)O[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC000826148076 607979455 /nfs/dbraw/zinc/97/94/55/607979455.db2.gz XUBZOCGLHTUGJA-CQSZACIVSA-N -1 3 377.357 -0.271 20 0 GBADHM COCC(=O)N(C)CC(=O)OCC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1 ZINC000826148117 607979665 /nfs/dbraw/zinc/97/96/65/607979665.db2.gz ZOOKVDACCOGDGJ-UHFFFAOYSA-N -1 3 380.361 -0.337 20 0 GBADHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826148350 609631502 /nfs/dbraw/zinc/63/15/02/609631502.db2.gz GHVJUNBMKIRHGK-NOZJJQNGSA-N -1 3 392.372 -0.696 20 0 GBADHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826148350 609631501 /nfs/dbraw/zinc/63/15/01/609631501.db2.gz GHVJUNBMKIRHGK-NOZJJQNGSA-N -1 3 392.372 -0.696 20 0 GBADHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826148351 609631804 /nfs/dbraw/zinc/63/18/04/609631804.db2.gz GHVJUNBMKIRHGK-RNCFNFMXSA-N -1 3 392.372 -0.696 20 0 GBADHM COC[C@@H](C)NC(=O)NC(=O)COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826148351 609631802 /nfs/dbraw/zinc/63/18/02/609631802.db2.gz GHVJUNBMKIRHGK-RNCFNFMXSA-N -1 3 392.372 -0.696 20 0 GBADHM COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826148352 609631532 /nfs/dbraw/zinc/63/15/32/609631532.db2.gz GHVJUNBMKIRHGK-TVQRCGJNSA-N -1 3 392.372 -0.696 20 0 GBADHM COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826148352 609631531 /nfs/dbraw/zinc/63/15/31/609631531.db2.gz GHVJUNBMKIRHGK-TVQRCGJNSA-N -1 3 392.372 -0.696 20 0 GBADHM COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826148353 609631820 /nfs/dbraw/zinc/63/18/20/609631820.db2.gz GHVJUNBMKIRHGK-ZANVPECISA-N -1 3 392.372 -0.696 20 0 GBADHM COC[C@H](C)NC(=O)NC(=O)COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826148353 609631818 /nfs/dbraw/zinc/63/18/18/609631818.db2.gz GHVJUNBMKIRHGK-ZANVPECISA-N -1 3 392.372 -0.696 20 0 GBADHM COC[C@](C)(NCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000826148491 608642137 /nfs/dbraw/zinc/64/21/37/608642137.db2.gz KDJAWIPWRYCIOX-HNNXBMFYSA-N -1 3 383.430 -0.192 20 0 GBADHM COC[C@](C)(NCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000826148491 608642136 /nfs/dbraw/zinc/64/21/36/608642136.db2.gz KDJAWIPWRYCIOX-HNNXBMFYSA-N -1 3 383.430 -0.192 20 0 GBADHM COC[C@@](C)(NCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000826148492 608642686 /nfs/dbraw/zinc/64/26/86/608642686.db2.gz KDJAWIPWRYCIOX-OAHLLOKOSA-N -1 3 383.430 -0.192 20 0 GBADHM COC[C@@](C)(NCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000826148492 608642683 /nfs/dbraw/zinc/64/26/83/608642683.db2.gz KDJAWIPWRYCIOX-OAHLLOKOSA-N -1 3 383.430 -0.192 20 0 GBADHM COC[C@@H](CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)OC ZINC000826149443 609316114 /nfs/dbraw/zinc/31/61/14/609316114.db2.gz HPUJECNYTBBUBK-CYBMUJFWSA-N -1 3 376.421 -0.245 20 0 GBADHM COC[C@@H](CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)OC ZINC000826149443 609316111 /nfs/dbraw/zinc/31/61/11/609316111.db2.gz HPUJECNYTBBUBK-CYBMUJFWSA-N -1 3 376.421 -0.245 20 0 GBADHM COC[C@H](CNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)OC ZINC000826149444 609316278 /nfs/dbraw/zinc/31/62/78/609316278.db2.gz HPUJECNYTBBUBK-ZDUSSCGKSA-N -1 3 376.421 -0.245 20 0 GBADHM COC[C@H](CNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)OC ZINC000826149444 609316276 /nfs/dbraw/zinc/31/62/76/609316276.db2.gz HPUJECNYTBBUBK-ZDUSSCGKSA-N -1 3 376.421 -0.245 20 0 GBADHM COC[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826149735 607907922 /nfs/dbraw/zinc/90/79/22/607907922.db2.gz NRFPHOJKDFDLGZ-CMPLNLGQSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826149735 607907921 /nfs/dbraw/zinc/90/79/21/607907921.db2.gz NRFPHOJKDFDLGZ-CMPLNLGQSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826149736 607908397 /nfs/dbraw/zinc/90/83/97/607908397.db2.gz NRFPHOJKDFDLGZ-JQWIXIFHSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826149736 607908396 /nfs/dbraw/zinc/90/83/96/607908396.db2.gz NRFPHOJKDFDLGZ-JQWIXIFHSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826149737 607908546 /nfs/dbraw/zinc/90/85/46/607908546.db2.gz NRFPHOJKDFDLGZ-PWSUYJOCSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826149737 607908545 /nfs/dbraw/zinc/90/85/45/607908545.db2.gz NRFPHOJKDFDLGZ-PWSUYJOCSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826149738 607908581 /nfs/dbraw/zinc/90/85/81/607908581.db2.gz NRFPHOJKDFDLGZ-ZYHUDNBSSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826149738 607908580 /nfs/dbraw/zinc/90/85/80/607908580.db2.gz NRFPHOJKDFDLGZ-ZYHUDNBSSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OC ZINC000826149951 609286323 /nfs/dbraw/zinc/28/63/23/609286323.db2.gz SKZPJYYOWXKHBU-CMPLNLGQSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OC ZINC000826149951 609286321 /nfs/dbraw/zinc/28/63/21/609286321.db2.gz SKZPJYYOWXKHBU-CMPLNLGQSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OC ZINC000826149952 609286503 /nfs/dbraw/zinc/28/65/03/609286503.db2.gz SKZPJYYOWXKHBU-JQWIXIFHSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OC ZINC000826149952 609286502 /nfs/dbraw/zinc/28/65/02/609286502.db2.gz SKZPJYYOWXKHBU-JQWIXIFHSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OC ZINC000826149953 609286317 /nfs/dbraw/zinc/28/63/17/609286317.db2.gz SKZPJYYOWXKHBU-PWSUYJOCSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OC ZINC000826149953 609286315 /nfs/dbraw/zinc/28/63/15/609286315.db2.gz SKZPJYYOWXKHBU-PWSUYJOCSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)OC ZINC000826149954 609286581 /nfs/dbraw/zinc/28/65/81/609286581.db2.gz SKZPJYYOWXKHBU-ZYHUDNBSSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)OC ZINC000826149954 609286579 /nfs/dbraw/zinc/28/65/79/609286579.db2.gz SKZPJYYOWXKHBU-ZYHUDNBSSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)OC ZINC000826149998 609286497 /nfs/dbraw/zinc/28/64/97/609286497.db2.gz UGHCIANMARFOSB-CMPLNLGQSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)OC ZINC000826149998 609286496 /nfs/dbraw/zinc/28/64/96/609286496.db2.gz UGHCIANMARFOSB-CMPLNLGQSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)OC ZINC000826149999 609286286 /nfs/dbraw/zinc/28/62/86/609286286.db2.gz UGHCIANMARFOSB-JQWIXIFHSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)OC ZINC000826149999 609286285 /nfs/dbraw/zinc/28/62/85/609286285.db2.gz UGHCIANMARFOSB-JQWIXIFHSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)OC ZINC000826150000 609286622 /nfs/dbraw/zinc/28/66/22/609286622.db2.gz UGHCIANMARFOSB-PWSUYJOCSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)OC ZINC000826150000 609286620 /nfs/dbraw/zinc/28/66/20/609286620.db2.gz UGHCIANMARFOSB-PWSUYJOCSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)OC ZINC000826150001 609286451 /nfs/dbraw/zinc/28/64/51/609286451.db2.gz UGHCIANMARFOSB-ZYHUDNBSSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)OC ZINC000826150001 609286450 /nfs/dbraw/zinc/28/64/50/609286450.db2.gz UGHCIANMARFOSB-ZYHUDNBSSA-N -1 3 398.445 -0.689 20 0 GBADHM COC[C@@H](CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)OC ZINC000826150120 609316021 /nfs/dbraw/zinc/31/60/21/609316021.db2.gz XBEGKLOFMQMEHU-GFCCVEGCSA-N -1 3 376.421 -0.245 20 0 GBADHM COC[C@@H](CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)OC ZINC000826150120 609316018 /nfs/dbraw/zinc/31/60/18/609316018.db2.gz XBEGKLOFMQMEHU-GFCCVEGCSA-N -1 3 376.421 -0.245 20 0 GBADHM COC[C@H](CNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1)OC ZINC000826150121 609316284 /nfs/dbraw/zinc/31/62/84/609316284.db2.gz XBEGKLOFMQMEHU-LBPRGKRZSA-N -1 3 376.421 -0.245 20 0 GBADHM COC[C@H](CNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1)OC ZINC000826150121 609316282 /nfs/dbraw/zinc/31/62/82/609316282.db2.gz XBEGKLOFMQMEHU-LBPRGKRZSA-N -1 3 376.421 -0.245 20 0 GBADHM COC[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826150130 607907852 /nfs/dbraw/zinc/90/78/52/607907852.db2.gz XDMLETQHQFLPDX-CMPLNLGQSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826150130 607907851 /nfs/dbraw/zinc/90/78/51/607907851.db2.gz XDMLETQHQFLPDX-CMPLNLGQSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826150131 607908045 /nfs/dbraw/zinc/90/80/45/607908045.db2.gz XDMLETQHQFLPDX-JQWIXIFHSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](CCO)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826150131 607908044 /nfs/dbraw/zinc/90/80/44/607908044.db2.gz XDMLETQHQFLPDX-JQWIXIFHSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826150132 607907898 /nfs/dbraw/zinc/90/78/98/607907898.db2.gz XDMLETQHQFLPDX-PWSUYJOCSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826150132 607907897 /nfs/dbraw/zinc/90/78/97/607907897.db2.gz XDMLETQHQFLPDX-PWSUYJOCSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826150133 607908024 /nfs/dbraw/zinc/90/80/24/607908024.db2.gz XDMLETQHQFLPDX-ZYHUDNBSSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](CCO)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826150133 607908023 /nfs/dbraw/zinc/90/80/23/607908023.db2.gz XDMLETQHQFLPDX-ZYHUDNBSSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)OC ZINC000826150206 609316045 /nfs/dbraw/zinc/31/60/45/609316045.db2.gz YZSFGMDFHDPFCE-CYBMUJFWSA-N -1 3 376.421 -0.245 20 0 GBADHM COC[C@@H](CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)OC ZINC000826150206 609316043 /nfs/dbraw/zinc/31/60/43/609316043.db2.gz YZSFGMDFHDPFCE-CYBMUJFWSA-N -1 3 376.421 -0.245 20 0 GBADHM COC[C@H](CNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)OC ZINC000826150207 609316102 /nfs/dbraw/zinc/31/61/02/609316102.db2.gz YZSFGMDFHDPFCE-ZDUSSCGKSA-N -1 3 376.421 -0.245 20 0 GBADHM COC[C@H](CNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)OC ZINC000826150207 609316100 /nfs/dbraw/zinc/31/61/00/609316100.db2.gz YZSFGMDFHDPFCE-ZDUSSCGKSA-N -1 3 376.421 -0.245 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(N)=O ZINC000826150256 607975963 /nfs/dbraw/zinc/97/59/63/607975963.db2.gz ABBMZUXPDXWVHM-SECBINFHSA-N -1 3 394.335 -0.336 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(N)=O ZINC000826150256 607975962 /nfs/dbraw/zinc/97/59/62/607975962.db2.gz ABBMZUXPDXWVHM-SECBINFHSA-N -1 3 394.335 -0.336 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(N)=O ZINC000826150257 607975766 /nfs/dbraw/zinc/97/57/66/607975766.db2.gz ABBMZUXPDXWVHM-VIFPVBQESA-N -1 3 394.335 -0.336 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(N)=O ZINC000826150257 607975765 /nfs/dbraw/zinc/97/57/65/607975765.db2.gz ABBMZUXPDXWVHM-VIFPVBQESA-N -1 3 394.335 -0.336 20 0 GBADHM COC[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)C(N)=O ZINC000826150500 608008638 /nfs/dbraw/zinc/00/86/38/608008638.db2.gz FVZZAMOHTICWFO-JTQLQIEISA-N -1 3 379.446 -0.104 20 0 GBADHM COC[C@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)C(N)=O ZINC000826150500 608008637 /nfs/dbraw/zinc/00/86/37/608008637.db2.gz FVZZAMOHTICWFO-JTQLQIEISA-N -1 3 379.446 -0.104 20 0 GBADHM COC[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1)C(N)=O ZINC000826150501 608008470 /nfs/dbraw/zinc/00/84/70/608008470.db2.gz FVZZAMOHTICWFO-SNVBAGLBSA-N -1 3 379.446 -0.104 20 0 GBADHM COC[C@@H](NC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1)C(N)=O ZINC000826150501 608008469 /nfs/dbraw/zinc/00/84/69/608008469.db2.gz FVZZAMOHTICWFO-SNVBAGLBSA-N -1 3 379.446 -0.104 20 0 GBADHM COC[C@@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(=O)OC ZINC000826150600 609404050 /nfs/dbraw/zinc/40/40/50/609404050.db2.gz IAPYNQTXOSPPCX-GFCCVEGCSA-N -1 3 386.372 -0.448 20 0 GBADHM COC[C@@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(=O)OC ZINC000826150600 609404047 /nfs/dbraw/zinc/40/40/47/609404047.db2.gz IAPYNQTXOSPPCX-GFCCVEGCSA-N -1 3 386.372 -0.448 20 0 GBADHM COC[C@H](NC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1)C(=O)OC ZINC000826150601 609404261 /nfs/dbraw/zinc/40/42/61/609404261.db2.gz IAPYNQTXOSPPCX-LBPRGKRZSA-N -1 3 386.372 -0.448 20 0 GBADHM COC[C@H](NC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1)C(=O)OC ZINC000826150601 609404258 /nfs/dbraw/zinc/40/42/58/609404258.db2.gz IAPYNQTXOSPPCX-LBPRGKRZSA-N -1 3 386.372 -0.448 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)OC ZINC000826150638 609333647 /nfs/dbraw/zinc/33/36/47/609333647.db2.gz IPVNAJRKHBIWSJ-JTQLQIEISA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)OC ZINC000826150638 609333645 /nfs/dbraw/zinc/33/36/45/609333645.db2.gz IPVNAJRKHBIWSJ-JTQLQIEISA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)OC ZINC000826150639 609333729 /nfs/dbraw/zinc/33/37/29/609333729.db2.gz IPVNAJRKHBIWSJ-SNVBAGLBSA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)OC ZINC000826150639 609333727 /nfs/dbraw/zinc/33/37/27/609333727.db2.gz IPVNAJRKHBIWSJ-SNVBAGLBSA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C(N)=O ZINC000826150688 607976235 /nfs/dbraw/zinc/97/62/35/607976235.db2.gz JTEBAZFGUYWRQZ-MRVPVSSYSA-N -1 3 394.335 -0.336 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C(N)=O ZINC000826150688 607976234 /nfs/dbraw/zinc/97/62/34/607976234.db2.gz JTEBAZFGUYWRQZ-MRVPVSSYSA-N -1 3 394.335 -0.336 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C(N)=O ZINC000826150689 607976128 /nfs/dbraw/zinc/97/61/28/607976128.db2.gz JTEBAZFGUYWRQZ-QMMMGPOBSA-N -1 3 394.335 -0.336 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C(N)=O ZINC000826150689 607976127 /nfs/dbraw/zinc/97/61/27/607976127.db2.gz JTEBAZFGUYWRQZ-QMMMGPOBSA-N -1 3 394.335 -0.336 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(N)=O ZINC000826150758 607976064 /nfs/dbraw/zinc/97/60/64/607976064.db2.gz LBOSTQRNEPSAHF-MRVPVSSYSA-N -1 3 394.335 -0.336 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(N)=O ZINC000826150759 607976046 /nfs/dbraw/zinc/97/60/46/607976046.db2.gz LBOSTQRNEPSAHF-QMMMGPOBSA-N -1 3 394.335 -0.336 20 0 GBADHM COC[C@@H](NC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)C(N)=O ZINC000826150784 608009270 /nfs/dbraw/zinc/00/92/70/608009270.db2.gz LQGNHUVGUXBLAA-LLVKDONJSA-N -1 3 378.389 -0.349 20 0 GBADHM COC[C@@H](NC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)C(N)=O ZINC000826150784 608009269 /nfs/dbraw/zinc/00/92/69/608009269.db2.gz LQGNHUVGUXBLAA-LLVKDONJSA-N -1 3 378.389 -0.349 20 0 GBADHM COC[C@H](NC(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC)C(N)=O ZINC000826150785 608009376 /nfs/dbraw/zinc/00/93/76/608009376.db2.gz LQGNHUVGUXBLAA-NSHDSACASA-N -1 3 378.389 -0.349 20 0 GBADHM COC[C@H](NC(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC)C(N)=O ZINC000826150785 608009375 /nfs/dbraw/zinc/00/93/75/608009375.db2.gz LQGNHUVGUXBLAA-NSHDSACASA-N -1 3 378.389 -0.349 20 0 GBADHM COC[C@@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826150930 608009542 /nfs/dbraw/zinc/00/95/42/608009542.db2.gz OZTPPXDTLVQSHQ-GFCCVEGCSA-N -1 3 375.389 -0.408 20 0 GBADHM COC[C@@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826150930 608009541 /nfs/dbraw/zinc/00/95/41/608009541.db2.gz OZTPPXDTLVQSHQ-GFCCVEGCSA-N -1 3 375.389 -0.408 20 0 GBADHM COC[C@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826150931 608009276 /nfs/dbraw/zinc/00/92/76/608009276.db2.gz OZTPPXDTLVQSHQ-LBPRGKRZSA-N -1 3 375.389 -0.408 20 0 GBADHM COC[C@H](NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826150931 608009275 /nfs/dbraw/zinc/00/92/75/608009275.db2.gz OZTPPXDTLVQSHQ-LBPRGKRZSA-N -1 3 375.389 -0.408 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)C(=O)OC ZINC000826151236 638010635 /nfs/dbraw/zinc/01/06/35/638010635.db2.gz WWFPRBYKTPOERK-SECBINFHSA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)C(=O)OC ZINC000826151236 638010632 /nfs/dbraw/zinc/01/06/32/638010632.db2.gz WWFPRBYKTPOERK-SECBINFHSA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl)C(=O)OC ZINC000826151237 638010374 /nfs/dbraw/zinc/01/03/74/638010374.db2.gz WWFPRBYKTPOERK-VIFPVBQESA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl)C(=O)OC ZINC000826151237 638010361 /nfs/dbraw/zinc/01/03/61/638010361.db2.gz WWFPRBYKTPOERK-VIFPVBQESA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)OC ZINC000826151298 609333465 /nfs/dbraw/zinc/33/34/65/609333465.db2.gz YRCQLCVPKNTXCM-JTQLQIEISA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)OC ZINC000826151298 609333463 /nfs/dbraw/zinc/33/34/63/609333463.db2.gz YRCQLCVPKNTXCM-JTQLQIEISA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)OC ZINC000826151299 609333913 /nfs/dbraw/zinc/33/39/13/609333913.db2.gz YRCQLCVPKNTXCM-SNVBAGLBSA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)OC ZINC000826151299 609333911 /nfs/dbraw/zinc/33/39/11/609333911.db2.gz YRCQLCVPKNTXCM-SNVBAGLBSA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826151430 608245344 /nfs/dbraw/zinc/24/53/44/608245344.db2.gz AUMULOZINNLXNU-CMPLNLGQSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826151430 608245342 /nfs/dbraw/zinc/24/53/42/608245342.db2.gz AUMULOZINNLXNU-CMPLNLGQSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826151431 608245213 /nfs/dbraw/zinc/24/52/13/608245213.db2.gz AUMULOZINNLXNU-JQWIXIFHSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826151431 608245212 /nfs/dbraw/zinc/24/52/12/608245212.db2.gz AUMULOZINNLXNU-JQWIXIFHSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826151432 608245339 /nfs/dbraw/zinc/24/53/39/608245339.db2.gz AUMULOZINNLXNU-PWSUYJOCSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826151432 608245337 /nfs/dbraw/zinc/24/53/37/608245337.db2.gz AUMULOZINNLXNU-PWSUYJOCSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826151433 608245287 /nfs/dbraw/zinc/24/52/87/608245287.db2.gz AUMULOZINNLXNU-ZYHUDNBSSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](O)CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826151433 608245285 /nfs/dbraw/zinc/24/52/85/608245285.db2.gz AUMULOZINNLXNU-ZYHUDNBSSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@@H](O)CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826151618 608256383 /nfs/dbraw/zinc/25/63/83/608256383.db2.gz GGKSZDDGIDPFJD-AWEZNQCLSA-N -1 3 390.448 -0.073 20 0 GBADHM COC[C@@H](O)CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826151618 608256381 /nfs/dbraw/zinc/25/63/81/608256381.db2.gz GGKSZDDGIDPFJD-AWEZNQCLSA-N -1 3 390.448 -0.073 20 0 GBADHM COC[C@H](O)CCNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826151619 608256698 /nfs/dbraw/zinc/25/66/98/608256698.db2.gz GGKSZDDGIDPFJD-CQSZACIVSA-N -1 3 390.448 -0.073 20 0 GBADHM COC[C@H](O)CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826151619 608256697 /nfs/dbraw/zinc/25/66/97/608256697.db2.gz GGKSZDDGIDPFJD-CQSZACIVSA-N -1 3 390.448 -0.073 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C(=O)OC ZINC000826151912 609333446 /nfs/dbraw/zinc/33/34/46/609333446.db2.gz MIBPDKOUGNPDSS-SECBINFHSA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)OC ZINC000826151912 609333444 /nfs/dbraw/zinc/33/34/44/609333444.db2.gz MIBPDKOUGNPDSS-SECBINFHSA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1)C(=O)OC ZINC000826151913 609333722 /nfs/dbraw/zinc/33/37/22/609333722.db2.gz MIBPDKOUGNPDSS-VIFPVBQESA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@H](NS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)OC ZINC000826151913 609333720 /nfs/dbraw/zinc/33/37/20/609333720.db2.gz MIBPDKOUGNPDSS-VIFPVBQESA-N -1 3 375.794 -0.014 20 0 GBADHM COC[C@H](O)CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826151936 608245974 /nfs/dbraw/zinc/24/59/74/608245974.db2.gz MOENFYHOKQCDNN-CYBMUJFWSA-N -1 3 383.430 -0.705 20 0 GBADHM COC[C@@H](O)CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826151937 608246108 /nfs/dbraw/zinc/24/61/08/608246108.db2.gz MOENFYHOKQCDNN-ZDUSSCGKSA-N -1 3 383.430 -0.705 20 0 GBADHM COC[C@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826151964 608245708 /nfs/dbraw/zinc/24/57/08/608245708.db2.gz NBOCOWRNUSQHIC-CMPLNLGQSA-N -1 3 398.445 -0.953 20 0 GBADHM COC[C@H](O)CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826151964 608245706 /nfs/dbraw/zinc/24/57/06/608245706.db2.gz NBOCOWRNUSQHIC-CMPLNLGQSA-N -1 3 398.445 -0.953 20 0 GBADHM 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COc1cc(-c2nn[n-]n2)ccc1CN1CCN(CCS(N)(=O)=O)CC1 ZINC000826169368 608372377 /nfs/dbraw/zinc/37/23/77/608372377.db2.gz QJQCMVJZBVUJCE-UHFFFAOYSA-N -1 3 381.462 -0.719 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN(CCS(N)(=O)=O)CC1 ZINC000826169368 608372375 /nfs/dbraw/zinc/37/23/75/608372375.db2.gz QJQCMVJZBVUJCE-UHFFFAOYSA-N -1 3 381.462 -0.719 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1CN1CCN(S(=O)(=O)N(C)C)CC1 ZINC000826169413 608354606 /nfs/dbraw/zinc/35/46/06/608354606.db2.gz RPVRDPUEDAZLIJ-UHFFFAOYSA-N -1 3 381.462 -0.201 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1CN1CCN(S(=O)(=O)N(C)C)CC1 ZINC000826169413 608354603 /nfs/dbraw/zinc/35/46/03/608354603.db2.gz RPVRDPUEDAZLIJ-UHFFFAOYSA-N -1 3 381.462 -0.201 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000826171099 608346610 /nfs/dbraw/zinc/34/66/10/608346610.db2.gz BRCJBTNQAZHLGO-UHFFFAOYSA-N -1 3 396.429 -0.166 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000826171099 608346608 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GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)N1CCOC[C@H]1C(N)=O ZINC000826175555 608822249 /nfs/dbraw/zinc/82/22/49/608822249.db2.gz IWNUXLACTQOLGL-LBPRGKRZSA-N -1 3 390.400 -0.253 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N1CCOC[C@H]1C(N)=O ZINC000826175555 608822246 /nfs/dbraw/zinc/82/22/46/608822246.db2.gz IWNUXLACTQOLGL-LBPRGKRZSA-N -1 3 390.400 -0.253 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826175805 608258585 /nfs/dbraw/zinc/25/85/85/608258585.db2.gz QYUCTXKOXGUOQW-GFCCVEGCSA-N -1 3 376.417 -0.221 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826175805 608258584 /nfs/dbraw/zinc/25/85/84/608258584.db2.gz QYUCTXKOXGUOQW-GFCCVEGCSA-N -1 3 376.417 -0.221 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCN1CCN(C(=O)[C@H](C)O)CC1 ZINC000826175806 608258135 /nfs/dbraw/zinc/25/81/35/608258135.db2.gz QYUCTXKOXGUOQW-LBPRGKRZSA-N -1 3 376.417 -0.221 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCCN1CCN(C(=O)[C@H](C)O)CC1 ZINC000826175806 608258134 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COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)N[C@H]1CN(C)NC1=O ZINC000826176084 609285358 /nfs/dbraw/zinc/28/53/58/609285358.db2.gz ZQLFEJUMLVYXNW-NSHDSACASA-N -1 3 375.389 -0.504 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCS(=O)(=O)c1ncc(CO)n1C ZINC000826176107 947548880 /nfs/dbraw/zinc/54/88/80/947548880.db2.gz BFGFMIOVSXSCPI-UHFFFAOYSA-N -1 3 394.413 -0.046 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCCS(=O)(=O)c1ncc(CO)n1C ZINC000826176107 947548874 /nfs/dbraw/zinc/54/88/74/947548874.db2.gz BFGFMIOVSXSCPI-UHFFFAOYSA-N -1 3 394.413 -0.046 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCCS(=O)(=O)Cc1cn(C)nn1 ZINC000826176615 608050071 /nfs/dbraw/zinc/05/00/71/608050071.db2.gz WOUNZAAUBNRPBD-UHFFFAOYSA-N -1 3 379.402 -0.002 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCCS(=O)(=O)Cc1cn(C)nn1 ZINC000826176615 608050070 /nfs/dbraw/zinc/05/00/70/608050070.db2.gz WOUNZAAUBNRPBD-UHFFFAOYSA-N -1 3 379.402 -0.002 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1CN(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000826181792 607642786 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947566002 /nfs/dbraw/zinc/56/60/02/947566002.db2.gz VCOIOJOARNZJEE-CYBMUJFWSA-N -1 3 390.400 -0.283 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826185005 947565996 /nfs/dbraw/zinc/56/59/96/947565996.db2.gz VCOIOJOARNZJEE-CYBMUJFWSA-N -1 3 390.400 -0.283 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826185006 947566900 /nfs/dbraw/zinc/56/69/00/947566900.db2.gz VCOIOJOARNZJEE-ZDUSSCGKSA-N -1 3 390.400 -0.283 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826185006 947566892 /nfs/dbraw/zinc/56/68/92/947566892.db2.gz VCOIOJOARNZJEE-ZDUSSCGKSA-N -1 3 390.400 -0.283 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C(C)C)C(=O)C1 ZINC000826185015 609137193 /nfs/dbraw/zinc/13/71/93/609137193.db2.gz VPVNRZGGPJWHME-UHFFFAOYSA-N -1 3 387.400 -0.107 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C(C)C)C(=O)C1 ZINC000826185015 609137190 /nfs/dbraw/zinc/13/71/90/609137190.db2.gz VPVNRZGGPJWHME-UHFFFAOYSA-N -1 3 387.400 -0.107 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCC(OCCO)CC1 ZINC000826185135 607944774 /nfs/dbraw/zinc/94/47/74/607944774.db2.gz ZYNIQBHUVFTECZ-UHFFFAOYSA-N -1 3 390.400 -0.186 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCC(OCCO)CC1 ZINC000826185135 607944773 /nfs/dbraw/zinc/94/47/73/607944773.db2.gz ZYNIQBHUVFTECZ-UHFFFAOYSA-N -1 3 390.400 -0.186 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000826185171 607836920 /nfs/dbraw/zinc/83/69/20/607836920.db2.gz BASSLDLXRSMDEN-MRVPVSSYSA-N -1 3 382.402 -0.637 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O ZINC000826185171 607836919 /nfs/dbraw/zinc/83/69/19/607836919.db2.gz BASSLDLXRSMDEN-MRVPVSSYSA-N -1 3 382.402 -0.637 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000826185172 607836953 /nfs/dbraw/zinc/83/69/53/607836953.db2.gz BASSLDLXRSMDEN-QMMMGPOBSA-N -1 3 382.402 -0.637 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NC[C@H](C)S(C)(=O)=O ZINC000826185172 607836952 /nfs/dbraw/zinc/83/69/52/607836952.db2.gz BASSLDLXRSMDEN-QMMMGPOBSA-N -1 3 382.402 -0.637 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000826185202 609641408 /nfs/dbraw/zinc/64/14/08/609641408.db2.gz BVEPTELDQYTLIE-UHFFFAOYSA-N -1 3 399.371 -0.917 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000826185590 947567473 /nfs/dbraw/zinc/56/74/73/947567473.db2.gz NZNHXIQUDGUFPQ-UHFFFAOYSA-N -1 3 397.399 -0.014 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000826185590 947567461 /nfs/dbraw/zinc/56/74/61/947567461.db2.gz NZNHXIQUDGUFPQ-UHFFFAOYSA-N -1 3 397.399 -0.014 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000826185700 608276111 /nfs/dbraw/zinc/27/61/11/608276111.db2.gz QZMROYNBILZOCQ-JTQLQIEISA-N -1 3 375.389 -0.068 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000826185700 608276110 /nfs/dbraw/zinc/27/61/10/608276110.db2.gz QZMROYNBILZOCQ-JTQLQIEISA-N -1 3 375.389 -0.068 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826185701 608275813 /nfs/dbraw/zinc/27/58/13/608275813.db2.gz QZMROYNBILZOCQ-SNVBAGLBSA-N -1 3 375.389 -0.068 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826185701 608275812 /nfs/dbraw/zinc/27/58/12/608275812.db2.gz QZMROYNBILZOCQ-SNVBAGLBSA-N -1 3 375.389 -0.068 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@H](O)CN1CCOCC1 ZINC000826185791 608809617 /nfs/dbraw/zinc/80/96/17/608809617.db2.gz UJSDILTXYZQUTH-GFCCVEGCSA-N -1 3 377.405 -0.310 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@H](O)CN1CCOCC1 ZINC000826185792 608809352 /nfs/dbraw/zinc/80/93/52/608809352.db2.gz UJSDILTXYZQUTH-LBPRGKRZSA-N -1 3 377.405 -0.310 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCC1(CO)CCOCC1 ZINC000826185979 607397549 /nfs/dbraw/zinc/39/75/49/607397549.db2.gz ZSKMPGQEHJBBBK-UHFFFAOYSA-N -1 3 390.400 -0.281 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCC1(CO)CCOCC1 ZINC000826185979 607397548 /nfs/dbraw/zinc/39/75/48/607397548.db2.gz ZSKMPGQEHJBBBK-UHFFFAOYSA-N -1 3 390.400 -0.281 20 0 GBADHM COc1ccc(C(=O)NCC(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826187316 947571048 /nfs/dbraw/zinc/57/10/48/947571048.db2.gz KUNMIJWPGOODQA-UHFFFAOYSA-N -1 3 386.372 -0.373 20 0 GBADHM COc1ccc(C(=O)NCC(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826187316 947571043 /nfs/dbraw/zinc/57/10/43/947571043.db2.gz KUNMIJWPGOODQA-UHFFFAOYSA-N -1 3 386.372 -0.373 20 0 GBADHM COc1ccc(C(=O)OCCn2ncc(-c3nn[n-]n3)c2N)cc1-n1cnnn1 ZINC000826188074 609403939 /nfs/dbraw/zinc/40/39/39/609403939.db2.gz NCHMAJHKAMANJA-UHFFFAOYSA-N -1 3 397.359 -0.513 20 0 GBADHM COc1ccc(C(=O)OCCn2ncc(-c3nnn[n-]3)c2N)cc1-n1cnnn1 ZINC000826188074 609403936 /nfs/dbraw/zinc/40/39/36/609403936.db2.gz NCHMAJHKAMANJA-UHFFFAOYSA-N -1 3 397.359 -0.513 20 0 GBADHM COc1ccc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826192723 607517576 /nfs/dbraw/zinc/51/75/76/607517576.db2.gz YEUVJRBEGOPRJP-GFCCVEGCSA-N -1 3 394.457 -0.390 20 0 GBADHM COc1ccc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826192723 607517575 /nfs/dbraw/zinc/51/75/75/607517575.db2.gz YEUVJRBEGOPRJP-GFCCVEGCSA-N -1 3 394.457 -0.390 20 0 GBADHM COc1ccc(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826192724 607517586 /nfs/dbraw/zinc/51/75/86/607517586.db2.gz YEUVJRBEGOPRJP-LBPRGKRZSA-N -1 3 394.457 -0.390 20 0 GBADHM COc1ccc(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826192724 607517585 /nfs/dbraw/zinc/51/75/85/607517585.db2.gz YEUVJRBEGOPRJP-LBPRGKRZSA-N -1 3 394.457 -0.390 20 0 GBADHM COc1ccc(CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)cc1-c1nn[n-]n1 ZINC000826193866 607550226 /nfs/dbraw/zinc/55/02/26/607550226.db2.gz SOBHLYMILREXKK-LLVKDONJSA-N -1 3 386.372 -0.598 20 0 GBADHM COc1ccc(CN2C(=O)[C@H]3CN(C(N)=O)CCN3C2=O)cc1-c1nnn[n-]1 ZINC000826193866 607550224 /nfs/dbraw/zinc/55/02/24/607550224.db2.gz SOBHLYMILREXKK-LLVKDONJSA-N -1 3 386.372 -0.598 20 0 GBADHM COc1ccc(CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)cc1-c1nn[n-]n1 ZINC000826193867 607550371 /nfs/dbraw/zinc/55/03/71/607550371.db2.gz SOBHLYMILREXKK-NSHDSACASA-N -1 3 386.372 -0.598 20 0 GBADHM COc1ccc(CN2C(=O)[C@@H]3CN(C(N)=O)CCN3C2=O)cc1-c1nnn[n-]1 ZINC000826193867 607550370 /nfs/dbraw/zinc/55/03/70/607550370.db2.gz SOBHLYMILREXKK-NSHDSACASA-N -1 3 386.372 -0.598 20 0 GBADHM COc1ccc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)cc1-c1nn[n-]n1 ZINC000826195127 607487514 /nfs/dbraw/zinc/48/75/14/607487514.db2.gz IZFYHXHZYBFUIJ-UHFFFAOYSA-N -1 3 385.428 -0.202 20 0 GBADHM COc1ccc(CN2CCN(C(=O)C(=O)NC3CC3)CC2)cc1-c1nnn[n-]1 ZINC000826195127 607487513 /nfs/dbraw/zinc/48/75/13/607487513.db2.gz IZFYHXHZYBFUIJ-UHFFFAOYSA-N -1 3 385.428 -0.202 20 0 GBADHM COc1ccc(CN2CCN(CCS(N)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC000826195130 607522527 /nfs/dbraw/zinc/52/25/27/607522527.db2.gz JAJFPFJIEPFVGE-UHFFFAOYSA-N -1 3 381.462 -0.719 20 0 GBADHM COc1ccc(CN2CCN(CCS(N)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC000826195130 607522526 /nfs/dbraw/zinc/52/25/26/607522526.db2.gz JAJFPFJIEPFVGE-UHFFFAOYSA-N -1 3 381.462 -0.719 20 0 GBADHM COc1ccc(CN2CCN(S(=O)(=O)N(C)C)CC2)cc1-c1nn[n-]n1 ZINC000826195373 607484818 /nfs/dbraw/zinc/48/48/18/607484818.db2.gz QTKXOKNWBCYHTL-UHFFFAOYSA-N -1 3 381.462 -0.201 20 0 GBADHM COc1ccc(CN2CCN(S(=O)(=O)N(C)C)CC2)cc1-c1nnn[n-]1 ZINC000826195373 607484816 /nfs/dbraw/zinc/48/48/16/607484816.db2.gz QTKXOKNWBCYHTL-UHFFFAOYSA-N -1 3 381.462 -0.201 20 0 GBADHM COc1ccc(CNC(=O)C(=O)Nc2cccn(C)c2=O)cc1-c1nn[n-]n1 ZINC000826195757 607630610 /nfs/dbraw/zinc/63/06/10/607630610.db2.gz DWZYVJWOGMDEFL-UHFFFAOYSA-N -1 3 383.368 -0.171 20 0 GBADHM COc1ccc(CNC(=O)C(=O)Nc2cccn(C)c2=O)cc1-c1nnn[n-]1 ZINC000826195757 607630608 /nfs/dbraw/zinc/63/06/08/607630608.db2.gz DWZYVJWOGMDEFL-UHFFFAOYSA-N -1 3 383.368 -0.171 20 0 GBADHM COc1ccc(CNC(=O)C(=O)Nc2cncnc2OC)cc1-c1nn[n-]n1 ZINC000826195936 947592752 /nfs/dbraw/zinc/59/27/52/947592752.db2.gz KWBWXORWPINBQG-UHFFFAOYSA-N -1 3 384.356 -0.071 20 0 GBADHM COc1ccc(CNC(=O)C(=O)Nc2cncnc2OC)cc1-c1nnn[n-]1 ZINC000826195936 947592739 /nfs/dbraw/zinc/59/27/39/947592739.db2.gz KWBWXORWPINBQG-UHFFFAOYSA-N -1 3 384.356 -0.071 20 0 GBADHM COc1ccc(CNC(=O)C(=O)Nc2ccc(=O)n(C)c2)cc1-c1nn[n-]n1 ZINC000826195969 609414987 /nfs/dbraw/zinc/41/49/87/609414987.db2.gz MASAFGXEMCLTJR-UHFFFAOYSA-N -1 3 383.368 -0.171 20 0 GBADHM COc1ccc(CNC(=O)C(=O)Nc2ccc(=O)n(C)c2)cc1-c1nnn[n-]1 ZINC000826195969 609414985 /nfs/dbraw/zinc/41/49/85/609414985.db2.gz MASAFGXEMCLTJR-UHFFFAOYSA-N -1 3 383.368 -0.171 20 0 GBADHM COc1ccc(CNC(=O)C(=O)Nc2cccc(C(N)=O)n2)cc1-c1nn[n-]n1 ZINC000826195994 609621911 /nfs/dbraw/zinc/62/19/11/609621911.db2.gz NEWVBSVYTXYJGC-UHFFFAOYSA-N -1 3 396.367 -0.376 20 0 GBADHM COc1ccc(CNC(=O)C(=O)Nc2cccc(C(N)=O)n2)cc1-c1nnn[n-]1 ZINC000826195994 609621909 /nfs/dbraw/zinc/62/19/09/609621909.db2.gz NEWVBSVYTXYJGC-UHFFFAOYSA-N -1 3 396.367 -0.376 20 0 GBADHM COc1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1-c1nn[n-]n1 ZINC000826196408 607591179 /nfs/dbraw/zinc/59/11/79/607591179.db2.gz APABPVIVCJASKT-UHFFFAOYSA-N -1 3 380.430 -0.778 20 0 GBADHM COc1ccc(CNC(=O)CN2CCS(=O)(=O)CC2)cc1-c1nnn[n-]1 ZINC000826196408 607591178 /nfs/dbraw/zinc/59/11/78/607591178.db2.gz APABPVIVCJASKT-UHFFFAOYSA-N -1 3 380.430 -0.778 20 0 GBADHM COc1ccc(CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826196484 607635623 /nfs/dbraw/zinc/63/56/23/607635623.db2.gz DKTJRZPRSUUUAM-GFCCVEGCSA-N -1 3 394.457 -0.390 20 0 GBADHM COc1ccc(CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826196484 607635622 /nfs/dbraw/zinc/63/56/22/607635622.db2.gz DKTJRZPRSUUUAM-GFCCVEGCSA-N -1 3 394.457 -0.390 20 0 GBADHM COc1ccc(CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1-c1nn[n-]n1 ZINC000826196485 607635599 /nfs/dbraw/zinc/63/55/99/607635599.db2.gz DKTJRZPRSUUUAM-LBPRGKRZSA-N -1 3 394.457 -0.390 20 0 GBADHM COc1ccc(CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1-c1nnn[n-]1 ZINC000826196485 607635598 /nfs/dbraw/zinc/63/55/98/607635598.db2.gz DKTJRZPRSUUUAM-LBPRGKRZSA-N -1 3 394.457 -0.390 20 0 GBADHM COc1ccc(CNC(=O)C=Cc2cn(C)c(=O)n(C)c2=O)cc1-c1nn[n-]n1 ZINC000826196593 607585587 /nfs/dbraw/zinc/58/55/87/607585587.db2.gz HRJMXMSBMBSOFZ-ALCCZGGFSA-N -1 3 397.395 -0.398 20 0 GBADHM COc1ccc(CNC(=O)C=Cc2cn(C)c(=O)n(C)c2=O)cc1-c1nnn[n-]1 ZINC000826196593 607585586 /nfs/dbraw/zinc/58/55/86/607585586.db2.gz HRJMXMSBMBSOFZ-ALCCZGGFSA-N -1 3 397.395 -0.398 20 0 GBADHM COc1ccc(CNC(=O)C=Cc2cn(C)c(=O)n(C)c2=O)cc1-c1nn[n-]n1 ZINC000826196594 607585570 /nfs/dbraw/zinc/58/55/70/607585570.db2.gz HRJMXMSBMBSOFZ-FNORWQNLSA-N -1 3 397.395 -0.398 20 0 GBADHM COc1ccc(CNC(=O)C=Cc2cn(C)c(=O)n(C)c2=O)cc1-c1nnn[n-]1 ZINC000826196594 607585569 /nfs/dbraw/zinc/58/55/69/607585569.db2.gz HRJMXMSBMBSOFZ-FNORWQNLSA-N -1 3 397.395 -0.398 20 0 GBADHM COc1ccc(CNC(=O)CCN2CCCS2(=O)=O)cc1-c1nn[n-]n1 ZINC000826196619 607589160 /nfs/dbraw/zinc/58/91/60/607589160.db2.gz ILQIQJPKBVUHGW-UHFFFAOYSA-N -1 3 380.430 -0.083 20 0 GBADHM COc1ccc(CNC(=O)CCN2CCCS2(=O)=O)cc1-c1nnn[n-]1 ZINC000826196619 607589158 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3 375.389 -0.293 20 0 GBADHM COc1ccc(CNC(=O)NCCCN2C(=O)CNC2=O)cc1-c1nn[n-]n1 ZINC000826199746 607564993 /nfs/dbraw/zinc/56/49/93/607564993.db2.gz KMGIPDWSQKUSJK-UHFFFAOYSA-N -1 3 388.388 -0.384 20 0 GBADHM COc1ccc(CNC(=O)NCCCN2C(=O)CNC2=O)cc1-c1nnn[n-]1 ZINC000826199746 607564991 /nfs/dbraw/zinc/56/49/91/607564991.db2.gz KMGIPDWSQKUSJK-UHFFFAOYSA-N -1 3 388.388 -0.384 20 0 GBADHM COc1ccc(CNC(=O)NCCS(=O)(=O)NC2CC2)cc1-c1nn[n-]n1 ZINC000826199753 607621952 /nfs/dbraw/zinc/62/19/52/607621952.db2.gz KVHFXPKMXRIWQC-UHFFFAOYSA-N -1 3 395.445 -0.244 20 0 GBADHM COc1ccc(CNC(=O)NCCS(=O)(=O)NC2CC2)cc1-c1nnn[n-]1 ZINC000826199753 607621950 /nfs/dbraw/zinc/62/19/50/607621950.db2.gz KVHFXPKMXRIWQC-UHFFFAOYSA-N -1 3 395.445 -0.244 20 0 GBADHM COc1ccc(CNC(=O)NCCNC(=O)c2ccn[nH]2)cc1-c1nn[n-]n1 ZINC000826199952 609612258 /nfs/dbraw/zinc/61/22/58/609612258.db2.gz SOTFDXICDYAGRC-UHFFFAOYSA-N -1 3 385.388 -0.172 20 0 GBADHM COc1ccc(CNC(=O)NCCNC(=O)c2ccn[nH]2)cc1-c1nnn[n-]1 ZINC000826199952 609612257 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ZINC000826223152 609217685 /nfs/dbraw/zinc/21/76/85/609217685.db2.gz CMDGSOMZWNOWBQ-AWEZNQCLSA-N -1 3 394.457 -0.312 20 0 GBADHM CS(=O)(=O)N1CCC(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826223152 609217683 /nfs/dbraw/zinc/21/76/83/609217683.db2.gz CMDGSOMZWNOWBQ-AWEZNQCLSA-N -1 3 394.457 -0.312 20 0 GBADHM CS(=O)(=O)N1CCC(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826223153 609217696 /nfs/dbraw/zinc/21/76/96/609217696.db2.gz CMDGSOMZWNOWBQ-CQSZACIVSA-N -1 3 394.457 -0.312 20 0 GBADHM CS(=O)(=O)N1CCC(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826223153 609217695 /nfs/dbraw/zinc/21/76/95/609217695.db2.gz CMDGSOMZWNOWBQ-CQSZACIVSA-N -1 3 394.457 -0.312 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223161 609246237 /nfs/dbraw/zinc/24/62/37/609246237.db2.gz CVUJFHQAUIDALU-BFHYXJOUSA-N -1 3 394.457 -0.266 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223161 609246235 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DLUVKBLDBGYSII-NSHDSACASA-N -1 3 379.446 -0.324 20 0 GBADHM CS(=O)(=O)N1CC[C@H](CNC(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826223193 607794532 /nfs/dbraw/zinc/79/45/32/607794532.db2.gz DQCGNOGFKRNOEA-LLVKDONJSA-N -1 3 380.430 -0.357 20 0 GBADHM CS(=O)(=O)N1CC[C@H](CNC(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826223193 607794531 /nfs/dbraw/zinc/79/45/31/607794531.db2.gz DQCGNOGFKRNOEA-LLVKDONJSA-N -1 3 380.430 -0.357 20 0 GBADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826223194 607794613 /nfs/dbraw/zinc/79/46/13/607794613.db2.gz DQCGNOGFKRNOEA-NSHDSACASA-N -1 3 380.430 -0.357 20 0 GBADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826223194 607794612 /nfs/dbraw/zinc/79/46/12/607794612.db2.gz DQCGNOGFKRNOEA-NSHDSACASA-N -1 3 380.430 -0.357 20 0 GBADHM CS(=O)(=O)N1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826223207 609191731 /nfs/dbraw/zinc/19/17/31/609191731.db2.gz FNQRXRCRVKXLAE-CYBMUJFWSA-N -1 3 380.430 -0.606 20 0 GBADHM CS(=O)(=O)N1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826223207 609191730 /nfs/dbraw/zinc/19/17/30/609191730.db2.gz FNQRXRCRVKXLAE-CYBMUJFWSA-N -1 3 380.430 -0.606 20 0 GBADHM CS(=O)(=O)N1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826223208 609192058 /nfs/dbraw/zinc/19/20/58/609192058.db2.gz FNQRXRCRVKXLAE-ZDUSSCGKSA-N -1 3 380.430 -0.606 20 0 GBADHM CS(=O)(=O)N1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826223208 609192057 /nfs/dbraw/zinc/19/20/57/609192057.db2.gz FNQRXRCRVKXLAE-ZDUSSCGKSA-N -1 3 380.430 -0.606 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826223212 607795924 /nfs/dbraw/zinc/79/59/24/607795924.db2.gz FROJKBRYLQJIFI-GFCCVEGCSA-N -1 3 380.430 -0.214 20 0 GBADHM CS(=O)(=O)N1CC[C@H](CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223230 607794639 /nfs/dbraw/zinc/79/46/39/607794639.db2.gz GAKUEBAXEAIWPE-LLVKDONJSA-N -1 3 380.430 -0.357 20 0 GBADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223231 607794803 /nfs/dbraw/zinc/79/48/03/607794803.db2.gz GAKUEBAXEAIWPE-NSHDSACASA-N -1 3 380.430 -0.357 20 0 GBADHM CS(=O)(=O)NCCNC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826223233 608061327 /nfs/dbraw/zinc/06/13/27/608061327.db2.gz GBNOKRBZKBLQJH-CYBMUJFWSA-N -1 3 395.445 -0.501 20 0 GBADHM CS(=O)(=O)NCCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826223233 608061326 /nfs/dbraw/zinc/06/13/26/608061326.db2.gz GBNOKRBZKBLQJH-CYBMUJFWSA-N -1 3 395.445 -0.501 20 0 GBADHM CS(=O)(=O)NCCNC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826223234 608061546 /nfs/dbraw/zinc/06/15/46/608061546.db2.gz GBNOKRBZKBLQJH-ZDUSSCGKSA-N -1 3 395.445 -0.501 20 0 GBADHM CS(=O)(=O)NCCNC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826223234 608061545 /nfs/dbraw/zinc/06/15/45/608061545.db2.gz GBNOKRBZKBLQJH-ZDUSSCGKSA-N -1 3 395.445 -0.501 20 0 GBADHM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000826223262 607597440 /nfs/dbraw/zinc/59/74/40/607597440.db2.gz GYAHPWOKCIIIKC-JTQLQIEISA-N -1 3 386.459 -0.431 20 0 GBADHM CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826223262 607597439 /nfs/dbraw/zinc/59/74/39/607597439.db2.gz GYAHPWOKCIIIKC-JTQLQIEISA-N -1 3 386.459 -0.431 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000826223263 607597680 /nfs/dbraw/zinc/59/76/80/607597680.db2.gz GYAHPWOKCIIIKC-SNVBAGLBSA-N -1 3 386.459 -0.431 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000826223263 607597679 /nfs/dbraw/zinc/59/76/79/607597679.db2.gz GYAHPWOKCIIIKC-SNVBAGLBSA-N -1 3 386.459 -0.431 20 0 GBADHM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826223278 609537196 /nfs/dbraw/zinc/53/71/96/609537196.db2.gz HKKQQVDBZQQQQH-UHFFFAOYSA-N -1 3 380.839 -0.652 20 0 GBADHM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826223278 609537195 /nfs/dbraw/zinc/53/71/95/609537195.db2.gz HKKQQVDBZQQQQH-UHFFFAOYSA-N -1 3 380.839 -0.652 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223296 609198046 /nfs/dbraw/zinc/19/80/46/609198046.db2.gz IHWVQDZSXRBFAN-CHWSQXEVSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223296 609198045 /nfs/dbraw/zinc/19/80/45/609198045.db2.gz IHWVQDZSXRBFAN-CHWSQXEVSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223297 609198368 /nfs/dbraw/zinc/19/83/68/609198368.db2.gz IHWVQDZSXRBFAN-OLZOCXBDSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223297 609198366 /nfs/dbraw/zinc/19/83/66/609198366.db2.gz IHWVQDZSXRBFAN-OLZOCXBDSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223298 609198097 /nfs/dbraw/zinc/19/80/97/609198097.db2.gz IHWVQDZSXRBFAN-QWHCGFSZSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223298 609198096 /nfs/dbraw/zinc/19/80/96/609198096.db2.gz IHWVQDZSXRBFAN-QWHCGFSZSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223299 609198441 /nfs/dbraw/zinc/19/84/41/609198441.db2.gz IHWVQDZSXRBFAN-STQMWFEESA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223299 609198439 /nfs/dbraw/zinc/19/84/39/609198439.db2.gz IHWVQDZSXRBFAN-STQMWFEESA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223301 607811989 /nfs/dbraw/zinc/81/19/89/607811989.db2.gz IKCSGWQZKIBKFL-LLVKDONJSA-N -1 3 386.459 -0.431 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223301 607811988 /nfs/dbraw/zinc/81/19/88/607811988.db2.gz IKCSGWQZKIBKFL-LLVKDONJSA-N -1 3 386.459 -0.431 20 0 GBADHM CS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826223306 609515240 /nfs/dbraw/zinc/51/52/40/609515240.db2.gz IQGQVCSBHUOZJN-UHFFFAOYSA-N -1 3 386.459 -0.726 20 0 GBADHM CS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826223306 609515238 /nfs/dbraw/zinc/51/52/38/609515238.db2.gz IQGQVCSBHUOZJN-UHFFFAOYSA-N -1 3 386.459 -0.726 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223307 607808618 /nfs/dbraw/zinc/80/86/18/607808618.db2.gz IQRMBLCIKZAXCZ-CHWSQXEVSA-N -1 3 379.446 -0.593 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223308 607808810 /nfs/dbraw/zinc/80/88/10/607808810.db2.gz IQRMBLCIKZAXCZ-OLZOCXBDSA-N -1 3 379.446 -0.593 20 0 GBADHM CS(=O)(=O)NCCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826223313 608327103 /nfs/dbraw/zinc/32/71/03/608327103.db2.gz IWIVNWIQXHAJQS-UHFFFAOYSA-N -1 3 392.438 -0.636 20 0 GBADHM CS(=O)(=O)NCCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826223313 608327101 /nfs/dbraw/zinc/32/71/01/608327101.db2.gz IWIVNWIQXHAJQS-UHFFFAOYSA-N -1 3 392.438 -0.636 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826223348 607804862 /nfs/dbraw/zinc/80/48/62/607804862.db2.gz JZHOEXHNVCNQSB-GFCCVEGCSA-N -1 3 393.429 -0.655 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826223348 607804861 /nfs/dbraw/zinc/80/48/61/607804861.db2.gz JZHOEXHNVCNQSB-GFCCVEGCSA-N -1 3 393.429 -0.655 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826223363 607795817 /nfs/dbraw/zinc/79/58/17/607795817.db2.gz KKMTUNVRPSLSAL-GFCCVEGCSA-N -1 3 380.430 -0.214 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826223363 607795816 /nfs/dbraw/zinc/79/58/16/607795816.db2.gz KKMTUNVRPSLSAL-GFCCVEGCSA-N -1 3 380.430 -0.214 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223365 609212744 /nfs/dbraw/zinc/21/27/44/609212744.db2.gz KLRJWXGCTSTJKG-CHWSQXEVSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223365 609212743 /nfs/dbraw/zinc/21/27/43/609212743.db2.gz KLRJWXGCTSTJKG-CHWSQXEVSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223366 609212704 /nfs/dbraw/zinc/21/27/04/609212704.db2.gz KLRJWXGCTSTJKG-OLZOCXBDSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223366 609212702 /nfs/dbraw/zinc/21/27/02/609212702.db2.gz KLRJWXGCTSTJKG-OLZOCXBDSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223367 609212525 /nfs/dbraw/zinc/21/25/25/609212525.db2.gz KLRJWXGCTSTJKG-QWHCGFSZSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223367 609212523 /nfs/dbraw/zinc/21/25/23/609212523.db2.gz KLRJWXGCTSTJKG-QWHCGFSZSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223368 609212420 /nfs/dbraw/zinc/21/24/20/609212420.db2.gz KLRJWXGCTSTJKG-STQMWFEESA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223368 609212419 /nfs/dbraw/zinc/21/24/19/609212419.db2.gz KLRJWXGCTSTJKG-STQMWFEESA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826223371 607811795 /nfs/dbraw/zinc/81/17/95/607811795.db2.gz KQLUTAZGVZYRPY-LLVKDONJSA-N -1 3 386.459 -0.431 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826223371 607811794 /nfs/dbraw/zinc/81/17/94/607811794.db2.gz KQLUTAZGVZYRPY-LLVKDONJSA-N -1 3 386.459 -0.431 20 0 GBADHM CS(=O)(=O)N1CC[C@H](CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223421 607793332 /nfs/dbraw/zinc/79/33/32/607793332.db2.gz MIRDEUKTTDTFLS-GFCCVEGCSA-N -1 3 379.446 -0.053 20 0 GBADHM CS(=O)(=O)N1CC[C@H](CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223421 607793331 /nfs/dbraw/zinc/79/33/31/607793331.db2.gz MIRDEUKTTDTFLS-GFCCVEGCSA-N -1 3 379.446 -0.053 20 0 GBADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223422 607793060 /nfs/dbraw/zinc/79/30/60/607793060.db2.gz MIRDEUKTTDTFLS-LBPRGKRZSA-N -1 3 379.446 -0.053 20 0 GBADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)NCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223422 607793059 /nfs/dbraw/zinc/79/30/59/607793059.db2.gz MIRDEUKTTDTFLS-LBPRGKRZSA-N -1 3 379.446 -0.053 20 0 GBADHM CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223425 609198264 /nfs/dbraw/zinc/19/82/64/609198264.db2.gz MKFDHVHTWJZCCH-BXUZGUMPSA-N -1 3 394.457 -0.312 20 0 GBADHM CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223425 609198263 /nfs/dbraw/zinc/19/82/63/609198263.db2.gz MKFDHVHTWJZCCH-BXUZGUMPSA-N -1 3 394.457 -0.312 20 0 GBADHM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223426 609198314 /nfs/dbraw/zinc/19/83/14/609198314.db2.gz MKFDHVHTWJZCCH-FZMZJTMJSA-N -1 3 394.457 -0.312 20 0 GBADHM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223426 609198312 /nfs/dbraw/zinc/19/83/12/609198312.db2.gz MKFDHVHTWJZCCH-FZMZJTMJSA-N -1 3 394.457 -0.312 20 0 GBADHM CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223427 609198435 /nfs/dbraw/zinc/19/84/35/609198435.db2.gz MKFDHVHTWJZCCH-RISCZKNCSA-N -1 3 394.457 -0.312 20 0 GBADHM CS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223427 609198433 /nfs/dbraw/zinc/19/84/33/609198433.db2.gz MKFDHVHTWJZCCH-RISCZKNCSA-N -1 3 394.457 -0.312 20 0 GBADHM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826223428 609198136 /nfs/dbraw/zinc/19/81/36/609198136.db2.gz MKFDHVHTWJZCCH-SMDDNHRTSA-N -1 3 394.457 -0.312 20 0 GBADHM CS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826223428 609198134 /nfs/dbraw/zinc/19/81/34/609198134.db2.gz MKFDHVHTWJZCCH-SMDDNHRTSA-N -1 3 394.457 -0.312 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826223431 608218988 /nfs/dbraw/zinc/21/89/88/608218988.db2.gz MRMYXHZPQIALSJ-LLVKDONJSA-N -1 3 380.434 -0.786 20 0 GBADHM CS(=O)(=O)N[C@@H]1CCCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826223431 608218986 /nfs/dbraw/zinc/21/89/86/608218986.db2.gz MRMYXHZPQIALSJ-LLVKDONJSA-N -1 3 380.434 -0.786 20 0 GBADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC000826223432 608218674 /nfs/dbraw/zinc/21/86/74/608218674.db2.gz MRMYXHZPQIALSJ-NSHDSACASA-N -1 3 380.434 -0.786 20 0 GBADHM CS(=O)(=O)N[C@H]1CCCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC000826223432 608218672 /nfs/dbraw/zinc/21/86/72/608218672.db2.gz MRMYXHZPQIALSJ-NSHDSACASA-N -1 3 380.434 -0.786 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223434 947659401 /nfs/dbraw/zinc/65/94/01/947659401.db2.gz MTHBSRRKHHKGIZ-CHWSQXEVSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223434 947659395 /nfs/dbraw/zinc/65/93/95/947659395.db2.gz MTHBSRRKHHKGIZ-CHWSQXEVSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826223435 947659361 /nfs/dbraw/zinc/65/93/61/947659361.db2.gz MTHBSRRKHHKGIZ-OLZOCXBDSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC[C@@H]1CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826223435 947659352 /nfs/dbraw/zinc/65/93/52/947659352.db2.gz MTHBSRRKHHKGIZ-OLZOCXBDSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826223486 609190902 /nfs/dbraw/zinc/19/09/02/609190902.db2.gz OEBSDVPHEISNEQ-CYBMUJFWSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826223486 609190901 /nfs/dbraw/zinc/19/09/01/609190901.db2.gz OEBSDVPHEISNEQ-CYBMUJFWSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826223487 609190642 /nfs/dbraw/zinc/19/06/42/609190642.db2.gz OEBSDVPHEISNEQ-ZDUSSCGKSA-N -1 3 380.430 -0.560 20 0 GBADHM CS(=O)(=O)N1CCC(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 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/nfs/dbraw/zinc/67/94/32/947679432.db2.gz VSAJTMVDLARGNZ-NSHDSACASA-N -1 3 380.430 -0.262 20 0 GBADHM C[C@H]1CN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CCN1S(C)(=O)=O ZINC000826232568 947682438 /nfs/dbraw/zinc/68/24/38/947682438.db2.gz XLYJBAIXYUSWOR-NSHDSACASA-N -1 3 380.430 -0.262 20 0 GBADHM C[C@H]1CN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CCN1S(C)(=O)=O ZINC000826232568 947682431 /nfs/dbraw/zinc/68/24/31/947682431.db2.gz XLYJBAIXYUSWOR-NSHDSACASA-N -1 3 380.430 -0.262 20 0 GBADHM C[C@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCN1S(C)(=O)=O ZINC000826232593 609261006 /nfs/dbraw/zinc/26/10/06/609261006.db2.gz ZSGICOIBSCIBSB-GWCFXTLKSA-N -1 3 380.430 -0.608 20 0 GBADHM C[C@H]1CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCN1S(C)(=O)=O ZINC000826232593 609261004 /nfs/dbraw/zinc/26/10/04/609261004.db2.gz ZSGICOIBSCIBSB-GWCFXTLKSA-N -1 3 380.430 -0.608 20 0 GBADHM C[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCN1S(C)(=O)=O ZINC000826232594 609260781 /nfs/dbraw/zinc/26/07/81/609260781.db2.gz ZSGICOIBSCIBSB-GXFFZTMASA-N -1 3 380.430 -0.608 20 0 GBADHM C[C@H]1CN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCN1S(C)(=O)=O ZINC000826232594 609260780 /nfs/dbraw/zinc/26/07/80/609260780.db2.gz ZSGICOIBSCIBSB-GXFFZTMASA-N -1 3 380.430 -0.608 20 0 GBADHM Cc1c(C(=O)Nc2ccncc2-c2nn[n-]n2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000826234598 607692379 /nfs/dbraw/zinc/69/23/79/607692379.db2.gz FEAHAYRYWYFCDP-UHFFFAOYSA-N -1 3 393.367 -0.810 20 0 GBADHM Cc1c(C(=O)Nc2ccncc2-c2nnn[n-]2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000826234598 607692376 /nfs/dbraw/zinc/69/23/76/607692376.db2.gz FEAHAYRYWYFCDP-UHFFFAOYSA-N -1 3 393.367 -0.810 20 0 GBADHM Cc1c(Cl)cnc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000826236714 947695429 /nfs/dbraw/zinc/69/54/29/947695429.db2.gz ACJAVFYKTAZBEX-SECBINFHSA-N -1 3 399.864 -0.037 20 0 GBADHM Cc1c(Cl)cnc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000826236714 947695426 /nfs/dbraw/zinc/69/54/26/947695426.db2.gz ACJAVFYKTAZBEX-SECBINFHSA-N -1 3 399.864 -0.037 20 0 GBADHM Cc1c(Cl)cnc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1-c1nn[n-]n1 ZINC000826236715 947695275 /nfs/dbraw/zinc/69/52/75/947695275.db2.gz ACJAVFYKTAZBEX-VIFPVBQESA-N -1 3 399.864 -0.037 20 0 GBADHM Cc1c(Cl)cnc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1-c1nnn[n-]1 ZINC000826236715 947695272 /nfs/dbraw/zinc/69/52/72/947695272.db2.gz ACJAVFYKTAZBEX-VIFPVBQESA-N -1 3 399.864 -0.037 20 0 GBADHM Cc1c(Cl)cnc(N2CCN(C(=O)Cn3cnnn3)CC2)c1-c1nn[n-]n1 ZINC000826237518 609532734 /nfs/dbraw/zinc/53/27/34/609532734.db2.gz CFNOZRCIYOSMJP-UHFFFAOYSA-N -1 3 389.811 -0.441 20 0 GBADHM Cc1c(Cl)cnc(N2CCN(C(=O)Cn3cnnn3)CC2)c1-c1nnn[n-]1 ZINC000826237518 609532731 /nfs/dbraw/zinc/53/27/31/609532731.db2.gz CFNOZRCIYOSMJP-UHFFFAOYSA-N -1 3 389.811 -0.441 20 0 GBADHM Cc1c(Cl)cnc(N2CCN(CCS(N)(=O)=O)CC2)c1-c1nn[n-]n1 ZINC000826237526 609563625 /nfs/dbraw/zinc/56/36/25/609563625.db2.gz CNBMAKCCJZUNNX-UHFFFAOYSA-N -1 3 386.869 -0.366 20 0 GBADHM Cc1c(Cl)cnc(N2CCN(CCS(N)(=O)=O)CC2)c1-c1nnn[n-]1 ZINC000826237526 609563622 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GBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000826246244 607661725 /nfs/dbraw/zinc/66/17/25/607661725.db2.gz XVDAIZDNQKJMPT-UHFFFAOYSA-N -1 3 379.446 -0.261 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000826246244 607661723 /nfs/dbraw/zinc/66/17/23/607661723.db2.gz XVDAIZDNQKJMPT-UHFFFAOYSA-N -1 3 379.446 -0.261 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000826246253 607683742 /nfs/dbraw/zinc/68/37/42/607683742.db2.gz XXOWTHXWHVINKC-LLVKDONJSA-N -1 3 392.441 -0.450 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000826246253 607683740 /nfs/dbraw/zinc/68/37/40/607683740.db2.gz XXOWTHXWHVINKC-LLVKDONJSA-N -1 3 392.441 -0.450 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 ZINC000826246254 607683621 /nfs/dbraw/zinc/68/36/21/607683621.db2.gz XXOWTHXWHVINKC-NSHDSACASA-N -1 3 392.441 -0.450 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C)C(=O)N1CCS(=O)(=O)CC1 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ZINC000826257968 609164905 /nfs/dbraw/zinc/16/49/05/609164905.db2.gz VLGSKBWJWIHETG-UHFFFAOYSA-N -1 3 396.411 -0.362 20 0 GBADHM Cc1cc(C(=O)N2CCN(C(=O)CO)CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257968 609164904 /nfs/dbraw/zinc/16/49/04/609164904.db2.gz VLGSKBWJWIHETG-UHFFFAOYSA-N -1 3 396.411 -0.362 20 0 GBADHM Cc1cc(C(=O)N2CCO[C@H](C(N)=O)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258402 609151865 /nfs/dbraw/zinc/15/18/65/609151865.db2.gz KGMXRODTUNTNJT-AWEZNQCLSA-N -1 3 382.384 -0.313 20 0 GBADHM Cc1cc(C(=O)N2CCO[C@H](C(N)=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258402 609151863 /nfs/dbraw/zinc/15/18/63/609151863.db2.gz KGMXRODTUNTNJT-AWEZNQCLSA-N -1 3 382.384 -0.313 20 0 GBADHM Cc1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258403 609152055 /nfs/dbraw/zinc/15/20/55/609152055.db2.gz KGMXRODTUNTNJT-CQSZACIVSA-N -1 3 382.384 -0.313 20 0 GBADHM Cc1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258403 609152054 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Cc1cc(NC(=O)C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)cn(C)c1=O ZINC000826269844 609414604 /nfs/dbraw/zinc/41/46/04/609414604.db2.gz ZHMDHVQMYIMLKP-UHFFFAOYSA-N -1 3 397.399 -0.564 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(S(=O)(=O)N3CCOCC3)CC2)n1 ZINC000826274819 608272024 /nfs/dbraw/zinc/27/20/24/608272024.db2.gz GDGKYANPHVGZCG-UHFFFAOYSA-N -1 3 394.461 -0.731 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(S(=O)(=O)N3CCOCC3)CC2)n1 ZINC000826274819 608272023 /nfs/dbraw/zinc/27/20/23/608272023.db2.gz GDGKYANPHVGZCG-UHFFFAOYSA-N -1 3 394.461 -0.731 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000826276851 609641125 /nfs/dbraw/zinc/64/11/25/609641125.db2.gz ACXFOAGDSUJVBN-UHFFFAOYSA-N -1 3 383.372 -0.617 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000826276857 607398310 /nfs/dbraw/zinc/39/83/10/607398310.db2.gz AEWGUAWUXCRVPK-KRWDZBQOSA-N -1 3 398.383 -0.734 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000826276857 607398307 /nfs/dbraw/zinc/39/83/07/607398307.db2.gz AEWGUAWUXCRVPK-KRWDZBQOSA-N -1 3 398.383 -0.734 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000826276858 607398156 /nfs/dbraw/zinc/39/81/56/607398156.db2.gz AEWGUAWUXCRVPK-QGZVFWFLSA-N -1 3 398.383 -0.734 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000826276858 607398155 /nfs/dbraw/zinc/39/81/55/607398155.db2.gz AEWGUAWUXCRVPK-QGZVFWFLSA-N -1 3 398.383 -0.734 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826276999 608246144 /nfs/dbraw/zinc/24/61/44/608246144.db2.gz FRTMOXXVNYFTNK-LLVKDONJSA-N -1 3 387.400 -0.835 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826276999 608246143 /nfs/dbraw/zinc/24/61/43/608246143.db2.gz FRTMOXXVNYFTNK-LLVKDONJSA-N -1 3 387.400 -0.835 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000826277000 608245738 /nfs/dbraw/zinc/24/57/38/608245738.db2.gz FRTMOXXVNYFTNK-NSHDSACASA-N -1 3 387.400 -0.835 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000826277000 608245735 /nfs/dbraw/zinc/24/57/35/608245735.db2.gz FRTMOXXVNYFTNK-NSHDSACASA-N -1 3 387.400 -0.835 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000826277295 608362776 /nfs/dbraw/zinc/36/27/76/608362776.db2.gz QDYXYUSCGRKMGG-UHFFFAOYSA-N -1 3 387.400 -0.571 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)N1CC(OCC(=O)N(C)C)C1 ZINC000826277295 608362774 /nfs/dbraw/zinc/36/27/74/608362774.db2.gz QDYXYUSCGRKMGG-UHFFFAOYSA-N -1 3 387.400 -0.571 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000826277825 608338120 /nfs/dbraw/zinc/33/81/20/608338120.db2.gz IJLOWLCGPLPJFE-UHFFFAOYSA-N -1 3 394.461 -0.387 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000826277825 608338118 /nfs/dbraw/zinc/33/81/18/608338118.db2.gz IJLOWLCGPLPJFE-UHFFFAOYSA-N -1 3 394.461 -0.387 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826279179 608240722 /nfs/dbraw/zinc/24/07/22/608240722.db2.gz IDTBNRGNZWSAMY-LLVKDONJSA-N -1 3 380.430 -0.611 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000826279179 608240721 /nfs/dbraw/zinc/24/07/21/608240721.db2.gz IDTBNRGNZWSAMY-LLVKDONJSA-N -1 3 380.430 -0.611 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000826279180 608240542 /nfs/dbraw/zinc/24/05/42/608240542.db2.gz IDTBNRGNZWSAMY-NSHDSACASA-N -1 3 380.430 -0.611 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCN(C(=O)[C@H](C)O)CC1 ZINC000826279180 608240540 /nfs/dbraw/zinc/24/05/40/608240540.db2.gz IDTBNRGNZWSAMY-NSHDSACASA-N -1 3 380.430 -0.611 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000826279389 609497152 /nfs/dbraw/zinc/49/71/52/609497152.db2.gz OSYAHLWVWNSKNB-UHFFFAOYSA-N -1 3 389.401 -0.889 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC(n2cc(C(N)=O)nn2)C1 ZINC000826279389 609497149 /nfs/dbraw/zinc/49/71/49/609497149.db2.gz OSYAHLWVWNSKNB-UHFFFAOYSA-N -1 3 389.401 -0.889 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC(C(=O)NCCO)CC1 ZINC000826279401 608565429 /nfs/dbraw/zinc/56/54/29/608565429.db2.gz PAIJBHXXEGHRIB-UHFFFAOYSA-N -1 3 394.457 -0.316 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC(C(=O)NCCO)CC1 ZINC000826279401 608565427 /nfs/dbraw/zinc/56/54/27/608565427.db2.gz PAIJBHXXEGHRIB-UHFFFAOYSA-N -1 3 394.457 -0.316 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000826279403 607666073 /nfs/dbraw/zinc/66/60/73/607666073.db2.gz PATOQEPAIAQIIG-AWEZNQCLSA-N -1 3 396.473 -0.511 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)C[C@H](O)CN1CCOCC1 ZINC000826279403 607666072 /nfs/dbraw/zinc/66/60/72/607666072.db2.gz PATOQEPAIAQIIG-AWEZNQCLSA-N -1 3 396.473 -0.511 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000826279404 607666214 /nfs/dbraw/zinc/66/62/14/607666214.db2.gz PATOQEPAIAQIIG-CQSZACIVSA-N -1 3 396.473 -0.511 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)C[C@@H](O)CN1CCOCC1 ZINC000826279404 607666212 /nfs/dbraw/zinc/66/62/12/607666212.db2.gz PATOQEPAIAQIIG-CQSZACIVSA-N -1 3 396.473 -0.511 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000826279441 608565373 /nfs/dbraw/zinc/56/53/73/608565373.db2.gz PUFOOHYMVJAWJE-LLVKDONJSA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@@H]1CS(N)(=O)=O ZINC000826279441 608565372 /nfs/dbraw/zinc/56/53/72/608565372.db2.gz PUFOOHYMVJAWJE-LLVKDONJSA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000826279442 608565356 /nfs/dbraw/zinc/56/53/56/608565356.db2.gz PUFOOHYMVJAWJE-NSHDSACASA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H]1CS(N)(=O)=O ZINC000826279442 608565355 /nfs/dbraw/zinc/56/53/55/608565355.db2.gz PUFOOHYMVJAWJE-NSHDSACASA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000826279550 947803862 /nfs/dbraw/zinc/80/38/62/947803862.db2.gz UIHKXPZCPABXFU-JTQLQIEISA-N -1 3 377.386 -0.900 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000826279551 947805596 /nfs/dbraw/zinc/80/55/96/947805596.db2.gz UIHKXPZCPABXFU-SNVBAGLBSA-N -1 3 377.386 -0.900 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000826279585 608565340 /nfs/dbraw/zinc/56/53/40/608565340.db2.gz VFIQPUGPGRKVMW-LLVKDONJSA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@@H](S(N)(=O)=O)C1 ZINC000826279585 608565339 /nfs/dbraw/zinc/56/53/39/608565339.db2.gz VFIQPUGPGRKVMW-LLVKDONJSA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000826279586 608565905 /nfs/dbraw/zinc/56/59/05/608565905.db2.gz VFIQPUGPGRKVMW-NSHDSACASA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 ZINC000826279586 608565904 /nfs/dbraw/zinc/56/59/04/608565904.db2.gz VFIQPUGPGRKVMW-NSHDSACASA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)NCCCN1CCNC(=O)C1 ZINC000826280093 608617894 /nfs/dbraw/zinc/61/78/94/608617894.db2.gz NGEGHDXCNNDNFM-UHFFFAOYSA-N -1 3 379.446 -0.725 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)NCCCN1CCNC(=O)C1 ZINC000826280093 608617893 /nfs/dbraw/zinc/61/78/93/608617893.db2.gz NGEGHDXCNNDNFM-UHFFFAOYSA-N -1 3 379.446 -0.725 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826298748 608246771 /nfs/dbraw/zinc/24/67/71/608246771.db2.gz GJRZXVNTJURNQL-LLVKDONJSA-N -1 3 387.400 -0.835 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826298748 608246770 /nfs/dbraw/zinc/24/67/70/608246770.db2.gz GJRZXVNTJURNQL-LLVKDONJSA-N -1 3 387.400 -0.835 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826298749 608246570 /nfs/dbraw/zinc/24/65/70/608246570.db2.gz GJRZXVNTJURNQL-NSHDSACASA-N -1 3 387.400 -0.835 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826298749 608246568 /nfs/dbraw/zinc/24/65/68/608246568.db2.gz GJRZXVNTJURNQL-NSHDSACASA-N -1 3 387.400 -0.835 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)c1-c1nn[n-]n1 ZINC000826298794 608363136 /nfs/dbraw/zinc/36/31/36/608363136.db2.gz HIOQTDPHOCGAHD-UHFFFAOYSA-N -1 3 387.400 -0.571 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CC(OCC(=O)N(C)C)C2)c1-c1nnn[n-]1 ZINC000826298794 608363134 /nfs/dbraw/zinc/36/31/34/608363134.db2.gz HIOQTDPHOCGAHD-UHFFFAOYSA-N -1 3 387.400 -0.571 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)c1-c1nn[n-]n1 ZINC000826298851 607398459 /nfs/dbraw/zinc/39/84/59/607398459.db2.gz IZYWYTZILGPEKA-KRWDZBQOSA-N -1 3 398.383 -0.734 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)c1-c1nnn[n-]1 ZINC000826298851 607398457 /nfs/dbraw/zinc/39/84/57/607398457.db2.gz IZYWYTZILGPEKA-KRWDZBQOSA-N -1 3 398.383 -0.734 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)c1-c1nn[n-]n1 ZINC000826298852 607398465 /nfs/dbraw/zinc/39/84/65/607398465.db2.gz IZYWYTZILGPEKA-QGZVFWFLSA-N -1 3 398.383 -0.734 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)c1-c1nnn[n-]1 ZINC000826298852 607398463 /nfs/dbraw/zinc/39/84/63/607398463.db2.gz IZYWYTZILGPEKA-QGZVFWFLSA-N -1 3 398.383 -0.734 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c1-c1nn[n-]n1 ZINC000826299074 607515725 /nfs/dbraw/zinc/51/57/25/607515725.db2.gz QBAYWVDOACZDIK-LLVKDONJSA-N -1 3 385.384 -0.234 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c1-c1nnn[n-]1 ZINC000826299074 607515723 /nfs/dbraw/zinc/51/57/23/607515723.db2.gz QBAYWVDOACZDIK-LLVKDONJSA-N -1 3 385.384 -0.234 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c1-c1nn[n-]n1 ZINC000826299075 607516054 /nfs/dbraw/zinc/51/60/54/607516054.db2.gz QBAYWVDOACZDIK-NSHDSACASA-N -1 3 385.384 -0.234 20 0 GBADHM Cc1cccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c1-c1nnn[n-]1 ZINC000826299075 607516052 /nfs/dbraw/zinc/51/60/52/607516052.db2.gz QBAYWVDOACZDIK-NSHDSACASA-N -1 3 385.384 -0.234 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)c1-c1nn[n-]n1 ZINC000826299089 609641354 /nfs/dbraw/zinc/64/13/54/609641354.db2.gz QTQINYJUDDXHLP-UHFFFAOYSA-N -1 3 383.372 -0.617 20 0 GBADHM Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccn[nH]2)c1-c1nnn[n-]1 ZINC000826299089 609641353 /nfs/dbraw/zinc/64/13/53/609641353.db2.gz QTQINYJUDDXHLP-UHFFFAOYSA-N -1 3 383.372 -0.617 20 0 GBADHM Cc1cccc(S(=O)(=O)N(C)C[C@@H](O)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826300577 607666451 /nfs/dbraw/zinc/66/64/51/607666451.db2.gz AAMJJHJGFSUVQA-CYBMUJFWSA-N -1 3 396.473 -0.511 20 0 GBADHM Cc1cccc(S(=O)(=O)N(C)C[C@@H](O)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826300577 607666449 /nfs/dbraw/zinc/66/64/49/607666449.db2.gz AAMJJHJGFSUVQA-CYBMUJFWSA-N -1 3 396.473 -0.511 20 0 GBADHM Cc1cccc(S(=O)(=O)N(C)C[C@H](O)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826300578 607666133 /nfs/dbraw/zinc/66/61/33/607666133.db2.gz AAMJJHJGFSUVQA-ZDUSSCGKSA-N -1 3 396.473 -0.511 20 0 GBADHM Cc1cccc(S(=O)(=O)N(C)C[C@H](O)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826300578 607666131 /nfs/dbraw/zinc/66/61/31/607666131.db2.gz AAMJJHJGFSUVQA-ZDUSSCGKSA-N -1 3 396.473 -0.511 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC(OCC(=O)N(C)C)C2)c1-c1nn[n-]n1 ZINC000826300607 607666276 /nfs/dbraw/zinc/66/62/76/607666276.db2.gz BCFHJTFBOVPSER-UHFFFAOYSA-N -1 3 380.430 -0.347 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC(OCC(=O)N(C)C)C2)c1-c1nnn[n-]1 ZINC000826300607 607666274 /nfs/dbraw/zinc/66/62/74/607666274.db2.gz BCFHJTFBOVPSER-UHFFFAOYSA-N -1 3 380.430 -0.347 20 0 GBADHM Cc1cccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826300612 607577419 /nfs/dbraw/zinc/57/74/19/607577419.db2.gz BFQSNAMPYCDEIF-UHFFFAOYSA-N -1 3 380.430 -0.346 20 0 GBADHM Cc1cccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826300612 607577417 /nfs/dbraw/zinc/57/74/17/607577417.db2.gz BFQSNAMPYCDEIF-UHFFFAOYSA-N -1 3 380.430 -0.346 20 0 GBADHM Cc1cccc(S(=O)(=O)N(CCOCCO)CCN(C)C)c1-c1nnn[n-]1 ZINC000826301101 607632569 /nfs/dbraw/zinc/63/25/69/607632569.db2.gz QVMNUAWZYBSYBK-UHFFFAOYSA-N -1 3 398.489 -0.264 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1-c1nn[n-]n1 ZINC000826301178 609497050 /nfs/dbraw/zinc/49/70/50/609497050.db2.gz UZSYZMUAEDEQFN-UHFFFAOYSA-N -1 3 389.401 -0.889 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1-c1nnn[n-]1 ZINC000826301178 609497048 /nfs/dbraw/zinc/49/70/48/609497048.db2.gz UZSYZMUAEDEQFN-UHFFFAOYSA-N -1 3 389.401 -0.889 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826301312 609446772 /nfs/dbraw/zinc/44/67/72/609446772.db2.gz ABSIUAGKZFRNOZ-JTQLQIEISA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826301312 609446771 /nfs/dbraw/zinc/44/67/71/609446771.db2.gz ABSIUAGKZFRNOZ-JTQLQIEISA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826301313 609446925 /nfs/dbraw/zinc/44/69/25/609446925.db2.gz ABSIUAGKZFRNOZ-SNVBAGLBSA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826301313 609446923 /nfs/dbraw/zinc/44/69/23/609446923.db2.gz ABSIUAGKZFRNOZ-SNVBAGLBSA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCN(CC(=O)N(C)C)CC2)c1-c1nn[n-]n1 ZINC000826301334 607546090 /nfs/dbraw/zinc/54/60/90/607546090.db2.gz AWIVSHJLXINQLS-UHFFFAOYSA-N -1 3 393.473 -0.430 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCN(CC(=O)N(C)C)CC2)c1-c1nnn[n-]1 ZINC000826301334 607546088 /nfs/dbraw/zinc/54/60/88/607546088.db2.gz AWIVSHJLXINQLS-UHFFFAOYSA-N -1 3 393.473 -0.430 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1nn[n-]n1 ZINC000826301391 607545955 /nfs/dbraw/zinc/54/59/55/607545955.db2.gz CYNAVQCZHCBFGS-UHFFFAOYSA-N -1 3 386.459 -0.559 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1nnn[n-]1 ZINC000826301391 607545953 /nfs/dbraw/zinc/54/59/53/607545953.db2.gz CYNAVQCZHCBFGS-UHFFFAOYSA-N -1 3 386.459 -0.559 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1-c1nn[n-]n1 ZINC000826301412 607661134 /nfs/dbraw/zinc/66/11/34/607661134.db2.gz DSFKLQPNEYOLFF-UHFFFAOYSA-N -1 3 393.473 -0.255 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCN(C(C)(C)C(N)=O)CC2)c1-c1nnn[n-]1 ZINC000826301412 607661133 /nfs/dbraw/zinc/66/11/33/607661133.db2.gz DSFKLQPNEYOLFF-UHFFFAOYSA-N -1 3 393.473 -0.255 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)c1-c1nn[n-]n1 ZINC000826301497 607603555 /nfs/dbraw/zinc/60/35/55/607603555.db2.gz GTSMTYQZRRCVSE-HNNXBMFYSA-N -1 3 391.413 -0.510 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)c1-c1nnn[n-]1 ZINC000826301497 607603553 /nfs/dbraw/zinc/60/35/53/607603553.db2.gz GTSMTYQZRRCVSE-HNNXBMFYSA-N -1 3 391.413 -0.510 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)c1-c1nn[n-]n1 ZINC000826301498 607603776 /nfs/dbraw/zinc/60/37/76/607603776.db2.gz GTSMTYQZRRCVSE-OAHLLOKOSA-N -1 3 391.413 -0.510 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)c1-c1nnn[n-]1 ZINC000826301498 607603775 /nfs/dbraw/zinc/60/37/75/607603775.db2.gz GTSMTYQZRRCVSE-OAHLLOKOSA-N -1 3 391.413 -0.510 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)c1-c1nn[n-]n1 ZINC000826301509 609446511 /nfs/dbraw/zinc/44/65/11/609446511.db2.gz HCVSQLFCIDELBX-JTQLQIEISA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCC[C@H]2CS(N)(=O)=O)c1-c1nnn[n-]1 ZINC000826301509 609446509 /nfs/dbraw/zinc/44/65/09/609446509.db2.gz HCVSQLFCIDELBX-JTQLQIEISA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1-c1nn[n-]n1 ZINC000826301510 609446920 /nfs/dbraw/zinc/44/69/20/609446920.db2.gz HCVSQLFCIDELBX-SNVBAGLBSA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1-c1nnn[n-]1 ZINC000826301510 609446918 /nfs/dbraw/zinc/44/69/18/609446918.db2.gz HCVSQLFCIDELBX-SNVBAGLBSA-N -1 3 386.459 -0.383 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1-c1nn[n-]n1 ZINC000826301541 607620414 /nfs/dbraw/zinc/62/04/14/607620414.db2.gz IAYMOYPUZDIUOB-AWEZNQCLSA-N -1 3 377.386 -0.852 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1-c1nnn[n-]1 ZINC000826301541 607620413 /nfs/dbraw/zinc/62/04/13/607620413.db2.gz IAYMOYPUZDIUOB-AWEZNQCLSA-N -1 3 377.386 -0.852 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c1-c1nn[n-]n1 ZINC000826301542 607620134 /nfs/dbraw/zinc/62/01/34/607620134.db2.gz IAYMOYPUZDIUOB-CQSZACIVSA-N -1 3 377.386 -0.852 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC[C@]3(C2)NC(=O)NC3=O)c1-c1nnn[n-]1 ZINC000826301542 607620133 /nfs/dbraw/zinc/62/01/33/607620133.db2.gz IAYMOYPUZDIUOB-CQSZACIVSA-N -1 3 377.386 -0.852 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826301659 608240521 /nfs/dbraw/zinc/24/05/21/608240521.db2.gz LQGKFTOREWYHEH-LLVKDONJSA-N -1 3 380.430 -0.611 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826301659 608240519 /nfs/dbraw/zinc/24/05/19/608240519.db2.gz LQGKFTOREWYHEH-LLVKDONJSA-N -1 3 380.430 -0.611 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826301660 608240548 /nfs/dbraw/zinc/24/05/48/608240548.db2.gz LQGKFTOREWYHEH-NSHDSACASA-N -1 3 380.430 -0.611 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826301660 608240546 /nfs/dbraw/zinc/24/05/46/608240546.db2.gz LQGKFTOREWYHEH-NSHDSACASA-N -1 3 380.430 -0.611 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)c1-c1nnn[n-]1 ZINC000826301716 607546096 /nfs/dbraw/zinc/54/60/96/607546096.db2.gz NVDSCZZGLNONAP-UHFFFAOYSA-N -1 3 393.473 -0.430 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1-c1nn[n-]n1 ZINC000826302047 607584090 /nfs/dbraw/zinc/58/40/90/607584090.db2.gz YVMVGCWYWWMXDR-UHFFFAOYSA-N -1 3 391.413 -0.462 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)c1-c1nnn[n-]1 ZINC000826302047 607584089 /nfs/dbraw/zinc/58/40/89/607584089.db2.gz YVMVGCWYWWMXDR-UHFFFAOYSA-N -1 3 391.413 -0.462 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826302062 607547913 /nfs/dbraw/zinc/54/79/13/607547913.db2.gz ZDCMMVWZAMIBPZ-JTQLQIEISA-N -1 3 386.459 -0.513 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826302062 607547911 /nfs/dbraw/zinc/54/79/11/607547911.db2.gz ZDCMMVWZAMIBPZ-JTQLQIEISA-N -1 3 386.459 -0.513 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826302063 607547533 /nfs/dbraw/zinc/54/75/33/607547533.db2.gz ZDCMMVWZAMIBPZ-SNVBAGLBSA-N -1 3 386.459 -0.513 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826302063 607547532 /nfs/dbraw/zinc/54/75/32/607547532.db2.gz ZDCMMVWZAMIBPZ-SNVBAGLBSA-N -1 3 386.459 -0.513 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCO[C@H](Cn3cncn3)C2)c1-c1nn[n-]n1 ZINC000826302078 607619156 /nfs/dbraw/zinc/61/91/56/607619156.db2.gz ZNSRFQYARRXPIH-GFCCVEGCSA-N -1 3 390.429 -0.144 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCO[C@H](Cn3cncn3)C2)c1-c1nnn[n-]1 ZINC000826302078 607619154 /nfs/dbraw/zinc/61/91/54/607619154.db2.gz ZNSRFQYARRXPIH-GFCCVEGCSA-N -1 3 390.429 -0.144 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCO[C@@H](Cn3cncn3)C2)c1-c1nn[n-]n1 ZINC000826302079 607619313 /nfs/dbraw/zinc/61/93/13/607619313.db2.gz ZNSRFQYARRXPIH-LBPRGKRZSA-N -1 3 390.429 -0.144 20 0 GBADHM Cc1cccc(S(=O)(=O)N2CCO[C@@H](Cn3cncn3)C2)c1-c1nnn[n-]1 ZINC000826302079 607619310 /nfs/dbraw/zinc/61/93/10/607619310.db2.gz ZNSRFQYARRXPIH-LBPRGKRZSA-N -1 3 390.429 -0.144 20 0 GBADHM Cc1cccc(S(=O)(=O)NC[C@@H](O)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826302127 607906630 /nfs/dbraw/zinc/90/66/30/607906630.db2.gz ATHGLMKTXLLBQI-GFCCVEGCSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1cccc(S(=O)(=O)NC[C@@H](O)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826302127 607906629 /nfs/dbraw/zinc/90/66/29/607906629.db2.gz ATHGLMKTXLLBQI-GFCCVEGCSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1cccc(S(=O)(=O)NC[C@H](O)CN2CCOCC2)c1-c1nn[n-]n1 ZINC000826302128 607906544 /nfs/dbraw/zinc/90/65/44/607906544.db2.gz ATHGLMKTXLLBQI-LBPRGKRZSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1cccc(S(=O)(=O)NC[C@H](O)CN2CCOCC2)c1-c1nnn[n-]1 ZINC000826302128 607906543 /nfs/dbraw/zinc/90/65/43/607906543.db2.gz ATHGLMKTXLLBQI-LBPRGKRZSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1cccc(S(=O)(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c1-c1nn[n-]n1 ZINC000826302188 607661357 /nfs/dbraw/zinc/66/13/57/607661357.db2.gz CFZJNTDEPMIQRN-JTQLQIEISA-N -1 3 378.414 -0.011 20 0 GBADHM Cc1cccc(S(=O)(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c1-c1nnn[n-]1 ZINC000826302188 607661355 /nfs/dbraw/zinc/66/13/55/607661355.db2.gz CFZJNTDEPMIQRN-JTQLQIEISA-N -1 3 378.414 -0.011 20 0 GBADHM Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c1-c1nn[n-]n1 ZINC000826302189 607661099 /nfs/dbraw/zinc/66/10/99/607661099.db2.gz CFZJNTDEPMIQRN-SNVBAGLBSA-N -1 3 378.414 -0.011 20 0 GBADHM Cc1cccc(S(=O)(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c1-c1nnn[n-]1 ZINC000826302189 607661097 /nfs/dbraw/zinc/66/10/97/607661097.db2.gz CFZJNTDEPMIQRN-SNVBAGLBSA-N -1 3 378.414 -0.011 20 0 GBADHM Cc1cccc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)c1-c1nn[n-]n1 ZINC000826302218 607582180 /nfs/dbraw/zinc/58/21/80/607582180.db2.gz CQJHEBBNDKGLKL-UHFFFAOYSA-N -1 3 379.446 -0.597 20 0 GBADHM Cc1cccc(S(=O)(=O)NC2CCN(CC(N)=O)CC2)c1-c1nnn[n-]1 ZINC000826302218 607582178 /nfs/dbraw/zinc/58/21/78/607582178.db2.gz CQJHEBBNDKGLKL-UHFFFAOYSA-N -1 3 379.446 -0.597 20 0 GBADHM Cc1cccc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826302580 607613380 /nfs/dbraw/zinc/61/33/80/607613380.db2.gz NIFALQDCKVDKNQ-UHFFFAOYSA-N -1 3 388.475 -0.219 20 0 GBADHM Cc1cccc(S(=O)(=O)NCC(C)(C)NS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826302580 607613378 /nfs/dbraw/zinc/61/33/78/607613378.db2.gz NIFALQDCKVDKNQ-UHFFFAOYSA-N -1 3 388.475 -0.219 20 0 GBADHM Cc1cccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)c1-c1nn[n-]n1 ZINC000826302749 607587489 /nfs/dbraw/zinc/58/74/89/607587489.db2.gz RIJRATRRQYXCGH-UHFFFAOYSA-N -1 3 380.430 -0.264 20 0 GBADHM Cc1cccc(S(=O)(=O)NCC2(C(N)=O)CCOCC2)c1-c1nnn[n-]1 ZINC000826302749 607587487 /nfs/dbraw/zinc/58/74/87/607587487.db2.gz RIJRATRRQYXCGH-UHFFFAOYSA-N -1 3 380.430 -0.264 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCCN2C(=O)CCC2=O)c1-c1nn[n-]n1 ZINC000826303112 607610327 /nfs/dbraw/zinc/61/03/27/607610327.db2.gz AKHBGMRNMHHGGD-UHFFFAOYSA-N -1 3 378.414 -0.007 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCCN2C(=O)CCC2=O)c1-c1nnn[n-]1 ZINC000826303112 607610325 /nfs/dbraw/zinc/61/03/25/607610325.db2.gz AKHBGMRNMHHGGD-UHFFFAOYSA-N -1 3 378.414 -0.007 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCC(=O)N2CCOCC2)c1-c1nn[n-]n1 ZINC000826303158 607581971 /nfs/dbraw/zinc/58/19/71/607581971.db2.gz CAUYSMJHPZIPNQ-UHFFFAOYSA-N -1 3 380.430 -0.298 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCC(=O)N2CCOCC2)c1-c1nnn[n-]1 ZINC000826303158 607581969 /nfs/dbraw/zinc/58/19/69/607581969.db2.gz CAUYSMJHPZIPNQ-UHFFFAOYSA-N -1 3 380.430 -0.298 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCCN(C)S(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826303205 607587403 /nfs/dbraw/zinc/58/74/03/607587403.db2.gz FCGVPOLWTGDLFC-UHFFFAOYSA-N -1 3 388.475 -0.265 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCCN(C)S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826303205 607587401 /nfs/dbraw/zinc/58/74/01/607587401.db2.gz FCGVPOLWTGDLFC-UHFFFAOYSA-N -1 3 388.475 -0.265 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCC(=O)N2CCN(C)CC2)c1-c1nn[n-]n1 ZINC000826303206 607593095 /nfs/dbraw/zinc/59/30/95/607593095.db2.gz FFIIAKXZMQHKIM-UHFFFAOYSA-N -1 3 393.473 -0.382 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCC(=O)N2CCN(C)CC2)c1-c1nnn[n-]1 ZINC000826303206 607593093 /nfs/dbraw/zinc/59/30/93/607593093.db2.gz FFIIAKXZMQHKIM-UHFFFAOYSA-N -1 3 393.473 -0.382 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCS(=O)(=O)NC(C)C)c1-c1nn[n-]n1 ZINC000826303265 607602492 /nfs/dbraw/zinc/60/24/92/607602492.db2.gz HNODUMRLUGMZHQ-UHFFFAOYSA-N -1 3 388.475 -0.219 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCS(=O)(=O)NC(C)C)c1-c1nnn[n-]1 ZINC000826303265 607602491 /nfs/dbraw/zinc/60/24/91/607602491.db2.gz HNODUMRLUGMZHQ-UHFFFAOYSA-N -1 3 388.475 -0.219 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCCN2CCNC(=O)C2)c1-c1nn[n-]n1 ZINC000826303378 609446793 /nfs/dbraw/zinc/44/67/93/609446793.db2.gz MHDBXDVVXKTICW-UHFFFAOYSA-N -1 3 379.446 -0.725 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCCN2CCNC(=O)C2)c1-c1nnn[n-]1 ZINC000826303378 609446790 /nfs/dbraw/zinc/44/67/90/609446790.db2.gz MHDBXDVVXKTICW-UHFFFAOYSA-N -1 3 379.446 -0.725 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)c1-c1nn[n-]n1 ZINC000826303427 607585954 /nfs/dbraw/zinc/58/59/54/607585954.db2.gz OOYNWTLCIIXXPR-UHFFFAOYSA-N -1 3 386.459 -0.465 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCS(=O)(=O)NC2CC2)c1-c1nnn[n-]1 ZINC000826303427 607585952 /nfs/dbraw/zinc/58/59/52/607585952.db2.gz OOYNWTLCIIXXPR-UHFFFAOYSA-N -1 3 386.459 -0.465 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCN2CCCS2(=O)=O)c1-c1nn[n-]n1 ZINC000826303430 607602541 /nfs/dbraw/zinc/60/25/41/607602541.db2.gz OWRYHEVGMGYEQK-UHFFFAOYSA-N -1 3 386.459 -0.511 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCN2CCCS2(=O)=O)c1-c1nnn[n-]1 ZINC000826303430 607602540 /nfs/dbraw/zinc/60/25/40/607602540.db2.gz OWRYHEVGMGYEQK-UHFFFAOYSA-N -1 3 386.459 -0.511 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCOCCS(C)(=O)=O)c1-c1nn[n-]n1 ZINC000826303445 607647720 /nfs/dbraw/zinc/64/77/20/607647720.db2.gz PKEWMLFMIOSSEX-UHFFFAOYSA-N -1 3 389.459 -0.485 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCOCCS(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826303445 607647719 /nfs/dbraw/zinc/64/77/19/607647719.db2.gz PKEWMLFMIOSSEX-UHFFFAOYSA-N -1 3 389.459 -0.485 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCCN2C(=O)CNC2=O)c1-c1nn[n-]n1 ZINC000826303670 607612407 /nfs/dbraw/zinc/61/24/07/607612407.db2.gz ZHSRJFUCULJPLE-UHFFFAOYSA-N -1 3 379.402 -0.605 20 0 GBADHM Cc1cccc(S(=O)(=O)NCCCN2C(=O)CNC2=O)c1-c1nnn[n-]1 ZINC000826303670 607612406 /nfs/dbraw/zinc/61/24/06/607612406.db2.gz ZHSRJFUCULJPLE-UHFFFAOYSA-N -1 3 379.402 -0.605 20 0 GBADHM Cc1cccn2c1ncc(C(=O)OCCn1ncc(-c3nn[n-]n3)c1N)c2=O ZINC000826308134 608331800 /nfs/dbraw/zinc/33/18/00/608331800.db2.gz KXOIYODBMYCGCY-UHFFFAOYSA-N -1 3 381.356 -0.181 20 0 GBADHM Cc1cccn2c1ncc(C(=O)OCCn1ncc(-c3nnn[n-]3)c1N)c2=O ZINC000826308134 608331798 /nfs/dbraw/zinc/33/17/98/608331798.db2.gz KXOIYODBMYCGCY-UHFFFAOYSA-N -1 3 381.356 -0.181 20 0 GBADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826308571 608352257 /nfs/dbraw/zinc/35/22/57/608352257.db2.gz GCIYSUSCCCLCJI-UHFFFAOYSA-N -1 3 397.399 -0.564 20 0 GBADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826308571 608352255 /nfs/dbraw/zinc/35/22/55/608352255.db2.gz GCIYSUSCCCLCJI-UHFFFAOYSA-N -1 3 397.399 -0.564 20 0 GBADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826308596 608341430 /nfs/dbraw/zinc/34/14/30/608341430.db2.gz HIWMLLIQBSSIMZ-UHFFFAOYSA-N -1 3 397.399 -0.564 20 0 GBADHM Cc1ccn(C)c(=O)c1NC(=O)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826308596 608341429 /nfs/dbraw/zinc/34/14/29/608341429.db2.gz HIWMLLIQBSSIMZ-UHFFFAOYSA-N -1 3 397.399 -0.564 20 0 GBADHM Cc1ccnc(COC(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826308638 607913838 /nfs/dbraw/zinc/91/38/38/607913838.db2.gz IUMZKAJDJMVTGG-UHFFFAOYSA-N -1 3 389.397 -0.013 20 0 GBADHM Cc1ccnc(COC(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826308638 607913837 /nfs/dbraw/zinc/91/38/37/607913837.db2.gz IUMZKAJDJMVTGG-UHFFFAOYSA-N -1 3 389.397 -0.013 20 0 GBADHM Cc1ccnc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC000826308749 607914483 /nfs/dbraw/zinc/91/44/83/607914483.db2.gz NJBKDGXBGKSZII-UHFFFAOYSA-N -1 3 389.397 -0.013 20 0 GBADHM Cc1ccnc(COC(=O)CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC000826308749 607914482 /nfs/dbraw/zinc/91/44/82/607914482.db2.gz NJBKDGXBGKSZII-UHFFFAOYSA-N -1 3 389.397 -0.013 20 0 GBADHM Cc1ccnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1-c1nn[n-]n1 ZINC000826310951 609525962 /nfs/dbraw/zinc/52/59/62/609525962.db2.gz OGVWOVBSUBJENA-UHFFFAOYSA-N -1 3 386.416 -0.922 20 0 GBADHM Cc1ccnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1-c1nnn[n-]1 ZINC000826310951 609525960 /nfs/dbraw/zinc/52/59/60/609525960.db2.gz OGVWOVBSUBJENA-UHFFFAOYSA-N -1 3 386.416 -0.922 20 0 GBADHM Cc1ccnc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1-c1nn[n-]n1 ZINC000826310984 609529724 /nfs/dbraw/zinc/52/97/24/609529724.db2.gz PJJPYSALAQVMGP-UHFFFAOYSA-N -1 3 394.461 -0.731 20 0 GBADHM Cc1ccnc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1-c1nnn[n-]1 ZINC000826310984 609529722 /nfs/dbraw/zinc/52/97/22/609529722.db2.gz PJJPYSALAQVMGP-UHFFFAOYSA-N -1 3 394.461 -0.731 20 0 GBADHM Cc1ccnc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1-c1nn[n-]n1 ZINC000826311047 609538368 /nfs/dbraw/zinc/53/83/68/609538368.db2.gz RMFXKARSGKERGG-UHFFFAOYSA-N -1 3 384.400 -0.632 20 0 GBADHM Cc1ccnc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1-c1nnn[n-]1 ZINC000826311047 609538366 /nfs/dbraw/zinc/53/83/66/609538366.db2.gz RMFXKARSGKERGG-UHFFFAOYSA-N -1 3 384.400 -0.632 20 0 GBADHM Cc1cnc(N)c(S(=O)(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826319090 608327208 /nfs/dbraw/zinc/32/72/08/608327208.db2.gz NVWVCDUTZQTAED-UHFFFAOYSA-N -1 3 375.418 -0.062 20 0 GBADHM Cc1cnc(N)c(S(=O)(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826319090 608327207 /nfs/dbraw/zinc/32/72/07/608327207.db2.gz NVWVCDUTZQTAED-UHFFFAOYSA-N -1 3 375.418 -0.062 20 0 GBADHM Cc1cnc(N)c(S(=O)(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000826319092 608328942 /nfs/dbraw/zinc/32/89/42/608328942.db2.gz NYWWHFFYXDAYSD-UHFFFAOYSA-N -1 3 375.418 -0.062 20 0 GBADHM Cc1cnc(N)c(S(=O)(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000826319092 608328940 /nfs/dbraw/zinc/32/89/40/608328940.db2.gz NYWWHFFYXDAYSD-UHFFFAOYSA-N -1 3 375.418 -0.062 20 0 GBADHM Cc1csc2ncc(C(=O)OCCn3ncc(-c4nn[n-]n4)c3N)c(=O)n12 ZINC000826321059 947938965 /nfs/dbraw/zinc/93/89/65/947938965.db2.gz OQCGOZHGFSEKSH-UHFFFAOYSA-N -1 3 387.385 -0.120 20 0 GBADHM Cc1csc2ncc(C(=O)OCCn3ncc(-c4nnn[n-]4)c3N)c(=O)n12 ZINC000826321059 947938962 /nfs/dbraw/zinc/93/89/62/947938962.db2.gz OQCGOZHGFSEKSH-UHFFFAOYSA-N -1 3 387.385 -0.120 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCC[C@](C)(O)C3)CC2)o1 ZINC000826322778 608380021 /nfs/dbraw/zinc/38/00/21/608380021.db2.gz BDOQXFVIDHAPBI-KRWDZBQOSA-N -1 3 390.448 -0.341 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCC[C@@](C)(O)C3)CC2)o1 ZINC000826322779 608379806 /nfs/dbraw/zinc/37/98/06/608379806.db2.gz BDOQXFVIDHAPBI-QGZVFWFLSA-N -1 3 390.448 -0.341 20 0 GBADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCOCC[C@H]3C)CC2)o1 ZINC000826322853 608564512 /nfs/dbraw/zinc/56/45/12/608564512.db2.gz DQGVMNAVVRATAD-GFCCVEGCSA-N -1 3 390.448 -0.077 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCOCC[C@H]3C)CC2)o1 ZINC000826322853 608564511 /nfs/dbraw/zinc/56/45/11/608564511.db2.gz DQGVMNAVVRATAD-GFCCVEGCSA-N -1 3 390.448 -0.077 20 0 GBADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCOCC[C@@H]3C)CC2)o1 ZINC000826322854 608564297 /nfs/dbraw/zinc/56/42/97/608564297.db2.gz DQGVMNAVVRATAD-LBPRGKRZSA-N -1 3 390.448 -0.077 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCOCC[C@@H]3C)CC2)o1 ZINC000826322854 608564295 /nfs/dbraw/zinc/56/42/95/608564295.db2.gz DQGVMNAVVRATAD-LBPRGKRZSA-N -1 3 390.448 -0.077 20 0 GBADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCN(C)[C@H](C)C3)CC2)o1 ZINC000826322925 608042276 /nfs/dbraw/zinc/04/22/76/608042276.db2.gz HQZGCGJIDRKUJY-GFCCVEGCSA-N -1 3 389.464 -0.552 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCN(C)[C@H](C)C3)CC2)o1 ZINC000826322925 608042275 /nfs/dbraw/zinc/04/22/75/608042275.db2.gz HQZGCGJIDRKUJY-GFCCVEGCSA-N -1 3 389.464 -0.552 20 0 GBADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCN(C)[C@@H](C)C3)CC2)o1 ZINC000826322926 608042086 /nfs/dbraw/zinc/04/20/86/608042086.db2.gz HQZGCGJIDRKUJY-LBPRGKRZSA-N -1 3 389.464 -0.552 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCN(C)[C@@H](C)C3)CC2)o1 ZINC000826322926 608042085 /nfs/dbraw/zinc/04/20/85/608042085.db2.gz HQZGCGJIDRKUJY-LBPRGKRZSA-N -1 3 389.464 -0.552 20 0 GBADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCOC[C@H](C)C3)CC2)o1 ZINC000826322930 607832798 /nfs/dbraw/zinc/83/27/98/607832798.db2.gz HUGSRJMFZPULMQ-GFCCVEGCSA-N -1 3 390.448 -0.220 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCOC[C@H](C)C3)CC2)o1 ZINC000826322930 607832797 /nfs/dbraw/zinc/83/27/97/607832797.db2.gz HUGSRJMFZPULMQ-GFCCVEGCSA-N -1 3 390.448 -0.220 20 0 GBADHM Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CN3CCOC[C@@H](C)C3)CC2)o1 ZINC000826322931 607832895 /nfs/dbraw/zinc/83/28/95/607832895.db2.gz HUGSRJMFZPULMQ-LBPRGKRZSA-N -1 3 390.448 -0.220 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CCOC[C@@H](C)C3)CC2)o1 ZINC000826322931 607832894 /nfs/dbraw/zinc/83/28/94/607832894.db2.gz HUGSRJMFZPULMQ-LBPRGKRZSA-N -1 3 390.448 -0.220 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3C[C@H](O)C[C@@H]3C)CC2)o1 ZINC000826322941 608044135 /nfs/dbraw/zinc/04/41/35/608044135.db2.gz IJHJCVQEPZVATQ-CMPLNLGQSA-N -1 3 376.421 -0.733 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3C[C@@H](O)C[C@@H]3C)CC2)o1 ZINC000826322942 608044385 /nfs/dbraw/zinc/04/43/85/608044385.db2.gz IJHJCVQEPZVATQ-JQWIXIFHSA-N -1 3 376.421 -0.733 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3C[C@@H](O)C[C@H]3C)CC2)o1 ZINC000826322943 608044416 /nfs/dbraw/zinc/04/44/16/608044416.db2.gz IJHJCVQEPZVATQ-PWSUYJOCSA-N -1 3 376.421 -0.733 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3C[C@H](O)C[C@H]3C)CC2)o1 ZINC000826322944 608044288 /nfs/dbraw/zinc/04/42/88/608044288.db2.gz IJHJCVQEPZVATQ-ZYHUDNBSSA-N -1 3 376.421 -0.733 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3C[C@H](C)[C@H](O)C3)CC2)o1 ZINC000826323101 608585262 /nfs/dbraw/zinc/58/52/62/608585262.db2.gz QCFBDKSOZRBRBX-CMPLNLGQSA-N -1 3 376.421 -0.876 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3C[C@H](O)[C@@H](C)C3)CC2)o1 ZINC000826323102 608585409 /nfs/dbraw/zinc/58/54/09/608585409.db2.gz QCFBDKSOZRBRBX-JQWIXIFHSA-N -1 3 376.421 -0.876 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3C[C@@H](C)[C@@H](O)C3)CC2)o1 ZINC000826323103 608585448 /nfs/dbraw/zinc/58/54/48/608585448.db2.gz QCFBDKSOZRBRBX-PWSUYJOCSA-N -1 3 376.421 -0.876 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3C[C@@H](C)[C@H](O)C3)CC2)o1 ZINC000826323104 608585380 /nfs/dbraw/zinc/58/53/80/608585380.db2.gz QCFBDKSOZRBRBX-ZYHUDNBSSA-N -1 3 376.421 -0.876 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN(C)C[C@@H](O)C3CC3)CC2)o1 ZINC000826323270 607639375 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GBADHM Cc1nnc2n1C[C@@H](NC(=O)NCCNc1ncccc1-c1nn[n-]n1)CC2 ZINC000826337113 609180554 /nfs/dbraw/zinc/18/05/54/609180554.db2.gz BWBULUKENBLHHL-NSHDSACASA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1nnc2n1C[C@@H](NC(=O)NCCNc1ncccc1-c1nnn[n-]1)CC2 ZINC000826337113 609180552 /nfs/dbraw/zinc/18/05/52/609180552.db2.gz BWBULUKENBLHHL-NSHDSACASA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1nnc2n1C[C@H](NC(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000826337629 609180462 /nfs/dbraw/zinc/18/04/62/609180462.db2.gz VHUNZOPKUDNUOL-GFCCVEGCSA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1nnc2n1C[C@H](NC(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000826337629 609180461 /nfs/dbraw/zinc/18/04/61/609180461.db2.gz VHUNZOPKUDNUOL-GFCCVEGCSA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1nnc2n1C[C@@H](NC(=O)NCCNc1ccc(-c3nn[n-]n3)cn1)CC2 ZINC000826337630 609180668 /nfs/dbraw/zinc/18/06/68/609180668.db2.gz VHUNZOPKUDNUOL-LBPRGKRZSA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1nnc2n1C[C@@H](NC(=O)NCCNc1ccc(-c3nnn[n-]3)cn1)CC2 ZINC000826337630 609180666 /nfs/dbraw/zinc/18/06/66/609180666.db2.gz VHUNZOPKUDNUOL-LBPRGKRZSA-N -1 3 383.420 -0.112 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)NCC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826339502 607597945 /nfs/dbraw/zinc/59/79/45/607597945.db2.gz HBVNIYNZCKTQKI-UHFFFAOYSA-N -1 3 393.385 -0.112 20 0 GBADHM Cc1oc(NC(=O)CN2CCC[C@H]2CS(N)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000826341234 607465198 /nfs/dbraw/zinc/46/51/98/607465198.db2.gz BCJVLLLQWAXEPM-JTQLQIEISA-N -1 3 383.434 -0.232 20 0 GBADHM Cc1oc(NC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000826341235 607465238 /nfs/dbraw/zinc/46/52/38/607465238.db2.gz BCJVLLLQWAXEPM-SNVBAGLBSA-N -1 3 383.434 -0.232 20 0 GBADHM Cc1oc(NC(=O)CN2CCN(S(C)(=O)=O)[C@@H](C)C2)c(-c2nnn[n-]2)c1C ZINC000826341469 947979383 /nfs/dbraw/zinc/97/93/83/947979383.db2.gz IFPVLTHKHJUFOB-VIFPVBQESA-N -1 3 397.461 -0.019 20 0 GBADHM Cc1oc(NC(=O)CN2CCN(C(=O)[C@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000826341671 608258183 /nfs/dbraw/zinc/25/81/83/608258183.db2.gz NGBHCEJXENTBIH-JTQLQIEISA-N -1 3 377.405 -0.460 20 0 GBADHM Cc1oc(NC(=O)CN2CCN(C(=O)[C@@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000826341672 608258576 /nfs/dbraw/zinc/25/85/76/608258576.db2.gz NGBHCEJXENTBIH-SNVBAGLBSA-N -1 3 377.405 -0.460 20 0 GBADHM Cc1oc(NC(=O)[C@@H](C)N2CC[C@@H](S(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000826341680 607957746 /nfs/dbraw/zinc/95/77/46/607957746.db2.gz NKTYQFYXALSPEQ-PSASIEDQSA-N -1 3 383.434 -0.234 20 0 GBADHM Cc1oc(NC(=O)[C@@H](C)N2CC[C@H](S(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000826341681 607957737 /nfs/dbraw/zinc/95/77/37/607957737.db2.gz NKTYQFYXALSPEQ-SCZZXKLOSA-N -1 3 383.434 -0.234 20 0 GBADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@@H](S(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000826341682 607957720 /nfs/dbraw/zinc/95/77/20/607957720.db2.gz NKTYQFYXALSPEQ-WCBMZHEXSA-N -1 3 383.434 -0.234 20 0 GBADHM Cc1oc(NC(=O)[C@H](C)N2CC[C@H](S(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000826341683 607957734 /nfs/dbraw/zinc/95/77/34/607957734.db2.gz NKTYQFYXALSPEQ-WPRPVWTQSA-N -1 3 383.434 -0.234 20 0 GBADHM Cc1oc(NC(=O)[C@@H](C)N2CCN3C(=O)NC(=O)[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826341763 608088283 /nfs/dbraw/zinc/08/82/83/608088283.db2.gz POPHZJSZOZZVTL-PSASIEDQSA-N -1 3 388.388 -0.360 20 0 GBADHM Cc1oc(NC(=O)[C@@H](C)N2CCN3C(=O)NC(=O)[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826341764 608088239 /nfs/dbraw/zinc/08/82/39/608088239.db2.gz POPHZJSZOZZVTL-SCZZXKLOSA-N -1 3 388.388 -0.360 20 0 GBADHM Cc1oc(NC(=O)[C@H](C)N2CCN3C(=O)NC(=O)[C@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826341765 608088188 /nfs/dbraw/zinc/08/81/88/608088188.db2.gz POPHZJSZOZZVTL-WCBMZHEXSA-N -1 3 388.388 -0.360 20 0 GBADHM Cc1oc(NC(=O)[C@H](C)N2CCN3C(=O)NC(=O)[C@@H]3C2)c(-c2nnn[n-]2)c1C ZINC000826341766 608088053 /nfs/dbraw/zinc/08/80/53/608088053.db2.gz POPHZJSZOZZVTL-WPRPVWTQSA-N -1 3 388.388 -0.360 20 0 GBADHM Cc1oc(NC(=O)[C@@H](C)N2CCN(C(=O)[C@@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000826342004 608258635 /nfs/dbraw/zinc/25/86/35/608258635.db2.gz VMIUJZLSOJHBMO-GHMZBOCLSA-N -1 3 391.432 -0.071 20 0 GBADHM Cc1oc(NC(=O)[C@@H](C)N2CCN(C(=O)[C@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000826342005 608258644 /nfs/dbraw/zinc/25/86/44/608258644.db2.gz VMIUJZLSOJHBMO-MNOVXSKESA-N -1 3 391.432 -0.071 20 0 GBADHM Cc1oc(NC(=O)[C@H](C)N2CCN(C(=O)[C@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000826342006 608258638 /nfs/dbraw/zinc/25/86/38/608258638.db2.gz VMIUJZLSOJHBMO-QWRGUYRKSA-N -1 3 391.432 -0.071 20 0 GBADHM Cc1oc(NC(=O)[C@H](C)N2CCN(C(=O)[C@@H](C)O)CC2)c(-c2nnn[n-]2)c1C ZINC000826342007 608258155 /nfs/dbraw/zinc/25/81/55/608258155.db2.gz VMIUJZLSOJHBMO-WDEREUQCSA-N -1 3 391.432 -0.071 20 0 GBADHM Cc1oc(NC(=O)[C@H](C)N2CCN(C(=O)CO)CC2)c(-c2nnn[n-]2)c1C ZINC000826342172 608003328 /nfs/dbraw/zinc/00/33/28/608003328.db2.gz ZVJCOWJTWHDFFS-JTQLQIEISA-N -1 3 377.405 -0.460 20 0 GBADHM Cc1oc(NC(=O)[C@@H](C)N2CCN(C(=O)CO)CC2)c(-c2nnn[n-]2)c1C ZINC000826342173 608004292 /nfs/dbraw/zinc/00/42/92/608004292.db2.gz ZVJCOWJTWHDFFS-SNVBAGLBSA-N -1 3 377.405 -0.460 20 0 GBADHM Cc1oc(NC(=O)COC(=O)[C@@H](C)NS(C)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000826342229 607976043 /nfs/dbraw/zinc/97/60/43/607976043.db2.gz BVPUCPMAQBUBFP-SSDOTTSWSA-N -1 3 386.390 -0.504 20 0 GBADHM Cc1oc(NC(=O)COC(=O)[C@H](C)NS(C)(=O)=O)c(-c2nnn[n-]2)c1C ZINC000826342230 607976264 /nfs/dbraw/zinc/97/62/64/607976264.db2.gz BVPUCPMAQBUBFP-ZETCQYMHSA-N -1 3 386.390 -0.504 20 0 GBADHM Cc1oc(NC(=O)COC(=O)Cn2cc([C@@H](C)O)nn2)c(-c2nnn[n-]2)c1C ZINC000826342349 609240950 /nfs/dbraw/zinc/24/09/50/609240950.db2.gz HEYGCHJZVDXEFI-MRVPVSSYSA-N -1 3 390.360 -0.097 20 0 GBADHM Cc1oc(NC(=O)COC(=O)Cn2cc([C@H](C)O)nn2)c(-c2nnn[n-]2)c1C ZINC000826342350 609241297 /nfs/dbraw/zinc/24/12/97/609241297.db2.gz HEYGCHJZVDXEFI-QMMMGPOBSA-N -1 3 390.360 -0.097 20 0 GBADHM Cc1oc(NC(=O)COC(=O)Cn2ncn(C)c2=O)c(-c2nnn[n-]2)c1C ZINC000826342551 609294852 /nfs/dbraw/zinc/29/48/52/609294852.db2.gz PUHVFJCVBGBHKH-UHFFFAOYSA-N -1 3 376.333 -0.846 20 0 GBADHM Cc1onc(CC(=O)N2CC[C@@H](OCCN3CCOCC3)C2)c1-c1nn[n-]n1 ZINC000826343554 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ZINC000826348824 948083061 /nfs/dbraw/zinc/08/30/61/948083061.db2.gz GZPCYMZVKOQCDC-UHFFFAOYSA-N -1 3 387.404 -0.127 20 0 GBADHM Cc1onc(CC(=O)Nc2ccn(CCN3CCOCC3)n2)c1-c1nnn[n-]1 ZINC000826348995 948084840 /nfs/dbraw/zinc/08/48/40/948084840.db2.gz PFGHYYHAPAVWFW-UHFFFAOYSA-N -1 3 387.404 -0.127 20 0 GBADHM Cc1sc(NC(=O)CN2CC[C@@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000826349268 607957820 /nfs/dbraw/zinc/95/78/20/607957820.db2.gz BHWNJYDMCRMKRT-SECBINFHSA-N -1 3 385.475 -0.154 20 0 GBADHM Cc1sc(NC(=O)CN2CC[C@@H](S(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000826349268 607957819 /nfs/dbraw/zinc/95/78/19/607957819.db2.gz BHWNJYDMCRMKRT-SECBINFHSA-N -1 3 385.475 -0.154 20 0 GBADHM Cc1sc(NC(=O)CN2CC[C@H](S(N)(=O)=O)C2)c(-c2nn[n-]n2)c1C ZINC000826349269 607957593 /nfs/dbraw/zinc/95/75/93/607957593.db2.gz BHWNJYDMCRMKRT-VIFPVBQESA-N -1 3 385.475 -0.154 20 0 GBADHM Cc1sc(NC(=O)CN2CC[C@H](S(N)(=O)=O)C2)c(-c2nnn[n-]2)c1C ZINC000826349269 607957592 /nfs/dbraw/zinc/95/75/92/607957592.db2.gz 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ZINC000826367223 608255543 /nfs/dbraw/zinc/25/55/43/608255543.db2.gz QCHJYSWQFRWNEH-UHFFFAOYSA-N -1 3 398.435 -0.704 20 0 GBADHM Cn1nnnc1CCNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826367223 608255542 /nfs/dbraw/zinc/25/55/42/608255542.db2.gz QCHJYSWQFRWNEH-UHFFFAOYSA-N -1 3 398.435 -0.704 20 0 GBADHM Cn1[nH]cnc1=NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826367296 609162344 /nfs/dbraw/zinc/16/23/44/609162344.db2.gz TWPFKJMTLLFFDI-GFCCVEGCSA-N -1 3 382.388 -0.266 20 0 GBADHM Cn1[nH]cnc1=NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826367296 609162342 /nfs/dbraw/zinc/16/23/42/609162342.db2.gz TWPFKJMTLLFFDI-GFCCVEGCSA-N -1 3 382.388 -0.266 20 0 GBADHM Cn1[nH]cnc1=NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826367297 609162207 /nfs/dbraw/zinc/16/22/07/609162207.db2.gz TWPFKJMTLLFFDI-LBPRGKRZSA-N -1 3 382.388 -0.266 20 0 GBADHM Cn1[nH]cnc1=NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826367297 609162206 /nfs/dbraw/zinc/16/22/06/609162206.db2.gz TWPFKJMTLLFFDI-LBPRGKRZSA-N -1 3 382.388 -0.266 20 0 GBADHM Cn1nnnc1CCNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000826367348 608279122 /nfs/dbraw/zinc/27/91/22/608279122.db2.gz VTWAYOWHAQSRRH-UHFFFAOYSA-N -1 3 380.376 -0.869 20 0 GBADHM Cn1nnnc1CCNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000826367348 608279119 /nfs/dbraw/zinc/27/91/19/608279119.db2.gz VTWAYOWHAQSRRH-UHFFFAOYSA-N -1 3 380.376 -0.869 20 0 GBADHM NC(=O)[C@H](OC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826388635 608178138 /nfs/dbraw/zinc/17/81/38/608178138.db2.gz FRDXWNQWMLSXHP-CYBMUJFWSA-N -1 3 395.335 -0.024 20 0 GBADHM NC(=O)[C@H](OC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826388635 608178137 /nfs/dbraw/zinc/17/81/37/608178137.db2.gz FRDXWNQWMLSXHP-CYBMUJFWSA-N -1 3 395.335 -0.024 20 0 GBADHM NC(=O)[C@@H](OC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826388636 608178153 /nfs/dbraw/zinc/17/81/53/608178153.db2.gz FRDXWNQWMLSXHP-ZDUSSCGKSA-N -1 3 395.335 -0.024 20 0 GBADHM NC(=O)[C@@H](OC(=O)c1cnc2c(c1)NC(=O)CO2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826388636 608178152 /nfs/dbraw/zinc/17/81/52/608178152.db2.gz FRDXWNQWMLSXHP-ZDUSSCGKSA-N -1 3 395.335 -0.024 20 0 GBADHM NC(=O)C(NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826388913 609331084 /nfs/dbraw/zinc/33/10/84/609331084.db2.gz MBFYJUSJTOQNRF-UHFFFAOYSA-N -1 3 381.352 -0.272 20 0 GBADHM NC(=O)C(NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826388913 609331082 /nfs/dbraw/zinc/33/10/82/609331082.db2.gz MBFYJUSJTOQNRF-UHFFFAOYSA-N -1 3 381.352 -0.272 20 0 GBADHM NC(=O)C1(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)CCOCC1 ZINC000826389328 607587411 /nfs/dbraw/zinc/58/74/11/607587411.db2.gz VOWOHIDAKCSRMK-UHFFFAOYSA-N -1 3 384.393 -0.434 20 0 GBADHM NC(=O)[C@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389330 608466444 /nfs/dbraw/zinc/46/64/44/608466444.db2.gz VPJWWBHDFVSVKP-GFCCVEGCSA-N -1 3 380.324 -0.002 20 0 GBADHM NC(=O)[C@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389330 608466442 /nfs/dbraw/zinc/46/64/42/608466442.db2.gz VPJWWBHDFVSVKP-GFCCVEGCSA-N -1 3 380.324 -0.002 20 0 GBADHM NC(=O)[C@@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389331 608466718 /nfs/dbraw/zinc/46/67/18/608466718.db2.gz VPJWWBHDFVSVKP-LBPRGKRZSA-N -1 3 380.324 -0.002 20 0 GBADHM NC(=O)[C@@H](OC(=O)c1ccc2n[nH]c(=O)n2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389331 608466716 /nfs/dbraw/zinc/46/67/16/608466716.db2.gz VPJWWBHDFVSVKP-LBPRGKRZSA-N -1 3 380.324 -0.002 20 0 GBADHM NC(=O)C1(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CCOCC1 ZINC000826389387 608002839 /nfs/dbraw/zinc/00/28/39/608002839.db2.gz WTAVKEPNNBMGNJ-UHFFFAOYSA-N -1 3 398.420 -0.293 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(CS(N)(=O)=O)CC1 ZINC000826389412 608040620 /nfs/dbraw/zinc/04/06/20/608040620.db2.gz XNLBTNICOPWAND-CYBMUJFWSA-N -1 3 379.446 -0.606 20 0 GBADHM NC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC(CS(N)(=O)=O)CC1 ZINC000826389412 608040619 /nfs/dbraw/zinc/04/06/19/608040619.db2.gz XNLBTNICOPWAND-CYBMUJFWSA-N -1 3 379.446 -0.606 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nn[n-]n2)cc1)N1CCC(CS(N)(=O)=O)CC1 ZINC000826389413 608040682 /nfs/dbraw/zinc/04/06/82/608040682.db2.gz XNLBTNICOPWAND-ZDUSSCGKSA-N -1 3 379.446 -0.606 20 0 GBADHM NC(=O)[C@H](c1ccc(-c2nnn[n-]2)cc1)N1CCC(CS(N)(=O)=O)CC1 ZINC000826389413 608040681 /nfs/dbraw/zinc/04/06/81/608040681.db2.gz XNLBTNICOPWAND-ZDUSSCGKSA-N -1 3 379.446 -0.606 20 0 GBADHM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)O1 ZINC000826389514 607672642 /nfs/dbraw/zinc/67/26/42/607672642.db2.gz ADVMERCDNXKLMR-PSASIEDQSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)O1 ZINC000826389514 607672640 /nfs/dbraw/zinc/67/26/40/607672640.db2.gz ADVMERCDNXKLMR-PSASIEDQSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)O1 ZINC000826389515 607672448 /nfs/dbraw/zinc/67/24/48/607672448.db2.gz ADVMERCDNXKLMR-SCZZXKLOSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)O1 ZINC000826389515 607672446 /nfs/dbraw/zinc/67/24/46/607672446.db2.gz ADVMERCDNXKLMR-SCZZXKLOSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)O1 ZINC000826389516 607672673 /nfs/dbraw/zinc/67/26/73/607672673.db2.gz ADVMERCDNXKLMR-WCBMZHEXSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)O1 ZINC000826389516 607672671 /nfs/dbraw/zinc/67/26/71/607672671.db2.gz ADVMERCDNXKLMR-WCBMZHEXSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)O1 ZINC000826389517 607672387 /nfs/dbraw/zinc/67/23/87/607672387.db2.gz ADVMERCDNXKLMR-WPRPVWTQSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)O1 ZINC000826389517 607672385 /nfs/dbraw/zinc/67/23/85/607672385.db2.gz ADVMERCDNXKLMR-WPRPVWTQSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)O1 ZINC000826389571 609558479 /nfs/dbraw/zinc/55/84/79/609558479.db2.gz BDKCDNMQDGWCDH-PSASIEDQSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)O1 ZINC000826389571 609558476 /nfs/dbraw/zinc/55/84/76/609558476.db2.gz BDKCDNMQDGWCDH-PSASIEDQSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)O1 ZINC000826389572 609558624 /nfs/dbraw/zinc/55/86/24/609558624.db2.gz BDKCDNMQDGWCDH-SCZZXKLOSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)O1 ZINC000826389572 609558623 /nfs/dbraw/zinc/55/86/23/609558623.db2.gz BDKCDNMQDGWCDH-SCZZXKLOSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)O1 ZINC000826389573 609558853 /nfs/dbraw/zinc/55/88/53/609558853.db2.gz BDKCDNMQDGWCDH-WCBMZHEXSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)O1 ZINC000826389573 609558851 /nfs/dbraw/zinc/55/88/51/609558851.db2.gz BDKCDNMQDGWCDH-WCBMZHEXSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)O1 ZINC000826389574 609558512 /nfs/dbraw/zinc/55/85/12/609558512.db2.gz BDKCDNMQDGWCDH-WPRPVWTQSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)O1 ZINC000826389574 609558506 /nfs/dbraw/zinc/55/85/06/609558506.db2.gz BDKCDNMQDGWCDH-WPRPVWTQSA-N -1 3 386.821 -0.169 20 0 GBADHM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)O1 ZINC000826389812 608339622 /nfs/dbraw/zinc/33/96/22/608339622.db2.gz JFDOIZCPIANKIC-CMPLNLGQSA-N -1 3 384.393 -0.542 20 0 GBADHM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)O1 ZINC000826389813 608339584 /nfs/dbraw/zinc/33/95/84/608339584.db2.gz JFDOIZCPIANKIC-JQWIXIFHSA-N -1 3 384.393 -0.542 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)O1 ZINC000826389814 608339879 /nfs/dbraw/zinc/33/98/79/608339879.db2.gz JFDOIZCPIANKIC-PWSUYJOCSA-N -1 3 384.393 -0.542 20 0 GBADHM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)O1 ZINC000826389815 608339829 /nfs/dbraw/zinc/33/98/29/608339829.db2.gz JFDOIZCPIANKIC-ZYHUDNBSSA-N -1 3 384.393 -0.542 20 0 GBADHM NC(=O)[C@H]1COCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826389874 608826039 /nfs/dbraw/zinc/82/60/39/608826039.db2.gz KQYCRVSARYTLSY-CYBMUJFWSA-N -1 3 387.400 -0.312 20 0 GBADHM NC(=O)[C@H]1COCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826389874 608826037 /nfs/dbraw/zinc/82/60/37/608826037.db2.gz KQYCRVSARYTLSY-CYBMUJFWSA-N -1 3 387.400 -0.312 20 0 GBADHM NC(=O)[C@@H]1COCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826389875 608826288 /nfs/dbraw/zinc/82/62/88/608826288.db2.gz KQYCRVSARYTLSY-ZDUSSCGKSA-N -1 3 387.400 -0.312 20 0 GBADHM NC(=O)[C@@H]1COCCN1C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826389875 608826286 /nfs/dbraw/zinc/82/62/86/608826286.db2.gz KQYCRVSARYTLSY-ZDUSSCGKSA-N -1 3 387.400 -0.312 20 0 GBADHM NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)CCOCC1 ZINC000826390226 607677051 /nfs/dbraw/zinc/67/70/51/607677051.db2.gz UKGGPRSVWBVGNW-UHFFFAOYSA-N -1 3 386.821 -0.167 20 0 GBADHM NC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CCOCC1 ZINC000826390226 607677049 /nfs/dbraw/zinc/67/70/49/607677049.db2.gz UKGGPRSVWBVGNW-UHFFFAOYSA-N -1 3 386.821 -0.167 20 0 GBADHM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390265 609635268 /nfs/dbraw/zinc/63/52/68/609635268.db2.gz VLTVXVBWKALZOR-GXTWGEPZSA-N -1 3 388.384 -0.690 20 0 GBADHM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390265 609635267 /nfs/dbraw/zinc/63/52/67/609635267.db2.gz VLTVXVBWKALZOR-GXTWGEPZSA-N -1 3 388.384 -0.690 20 0 GBADHM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390266 609635310 /nfs/dbraw/zinc/63/53/10/609635310.db2.gz VLTVXVBWKALZOR-JSGCOSHPSA-N -1 3 388.384 -0.690 20 0 GBADHM NC(=O)[C@@H]1CCCCN1C(=O)COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390266 609635309 /nfs/dbraw/zinc/63/53/09/609635309.db2.gz VLTVXVBWKALZOR-JSGCOSHPSA-N -1 3 388.384 -0.690 20 0 GBADHM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390267 609635130 /nfs/dbraw/zinc/63/51/30/609635130.db2.gz VLTVXVBWKALZOR-OCCSQVGLSA-N -1 3 388.384 -0.690 20 0 GBADHM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390267 609635129 /nfs/dbraw/zinc/63/51/29/609635129.db2.gz VLTVXVBWKALZOR-OCCSQVGLSA-N -1 3 388.384 -0.690 20 0 GBADHM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390268 609635073 /nfs/dbraw/zinc/63/50/73/609635073.db2.gz VLTVXVBWKALZOR-TZMCWYRMSA-N -1 3 388.384 -0.690 20 0 GBADHM NC(=O)[C@H]1CCCCN1C(=O)COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390268 609635072 /nfs/dbraw/zinc/63/50/72/609635072.db2.gz VLTVXVBWKALZOR-TZMCWYRMSA-N -1 3 388.384 -0.690 20 0 GBADHM NC(=O)C1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CCOCC1 ZINC000826390432 609561139 /nfs/dbraw/zinc/56/11/39/609561139.db2.gz ZSXQLAMJKJOMPT-UHFFFAOYSA-N -1 3 386.821 -0.167 20 0 GBADHM NC(=O)C1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CCOCC1 ZINC000826390432 609561137 /nfs/dbraw/zinc/56/11/37/609561137.db2.gz ZSXQLAMJKJOMPT-UHFFFAOYSA-N -1 3 386.821 -0.167 20 0 GBADHM NC(=O)[C@H]1CSCCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826390438 608384502 /nfs/dbraw/zinc/38/45/02/608384502.db2.gz ACDPFICMYUZWIR-GFCCVEGCSA-N -1 3 382.471 -0.457 20 0 GBADHM NC(=O)[C@H]1CSCCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826390438 608384500 /nfs/dbraw/zinc/38/45/00/608384500.db2.gz ACDPFICMYUZWIR-GFCCVEGCSA-N -1 3 382.471 -0.457 20 0 GBADHM NC(=O)[C@@H]1CSCCN1CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826390439 608384329 /nfs/dbraw/zinc/38/43/29/608384329.db2.gz ACDPFICMYUZWIR-LBPRGKRZSA-N -1 3 382.471 -0.457 20 0 GBADHM NC(=O)[C@@H]1CSCCN1CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826390439 608384328 /nfs/dbraw/zinc/38/43/28/608384328.db2.gz ACDPFICMYUZWIR-LBPRGKRZSA-N -1 3 382.471 -0.457 20 0 GBADHM NC(=O)[C@H]1CSCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390476 608322608 /nfs/dbraw/zinc/32/26/08/608322608.db2.gz BEGDNMHGDUSXHU-GFCCVEGCSA-N -1 3 382.471 -0.457 20 0 GBADHM NC(=O)[C@H]1CSCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390476 608322606 /nfs/dbraw/zinc/32/26/06/608322606.db2.gz BEGDNMHGDUSXHU-GFCCVEGCSA-N -1 3 382.471 -0.457 20 0 GBADHM NC(=O)[C@@H]1CSCCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826390477 608322369 /nfs/dbraw/zinc/32/23/69/608322369.db2.gz BEGDNMHGDUSXHU-LBPRGKRZSA-N -1 3 382.471 -0.457 20 0 GBADHM NC(=O)[C@@H]1CSCCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826390477 608322366 /nfs/dbraw/zinc/32/23/66/608322366.db2.gz BEGDNMHGDUSXHU-LBPRGKRZSA-N -1 3 382.471 -0.457 20 0 GBADHM NC(=O)[C@H]1CSCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826390560 608565641 /nfs/dbraw/zinc/56/56/41/608565641.db2.gz DTLYNWHAFMZMKF-LLVKDONJSA-N -1 3 386.434 -0.262 20 0 GBADHM NC(=O)[C@H]1CSCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826390560 608565639 /nfs/dbraw/zinc/56/56/39/608565639.db2.gz DTLYNWHAFMZMKF-LLVKDONJSA-N -1 3 386.434 -0.262 20 0 GBADHM NC(=O)[C@@H]1CSCCN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826390561 608565381 /nfs/dbraw/zinc/56/53/81/608565381.db2.gz DTLYNWHAFMZMKF-NSHDSACASA-N -1 3 386.434 -0.262 20 0 GBADHM NC(=O)[C@@H]1CSCCN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826390561 608565380 /nfs/dbraw/zinc/56/53/80/608565380.db2.gz DTLYNWHAFMZMKF-NSHDSACASA-N -1 3 386.434 -0.262 20 0 GBADHM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826390576 608566285 /nfs/dbraw/zinc/56/62/85/608566285.db2.gz FDLFWPHGSATGHB-SECBINFHSA-N -1 3 390.397 -0.264 20 0 GBADHM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826390576 608566283 /nfs/dbraw/zinc/56/62/83/608566283.db2.gz FDLFWPHGSATGHB-SECBINFHSA-N -1 3 390.397 -0.264 20 0 GBADHM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826390577 608566175 /nfs/dbraw/zinc/56/61/75/608566175.db2.gz FDLFWPHGSATGHB-VIFPVBQESA-N -1 3 390.397 -0.264 20 0 GBADHM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826390577 608566173 /nfs/dbraw/zinc/56/61/73/608566173.db2.gz FDLFWPHGSATGHB-VIFPVBQESA-N -1 3 390.397 -0.264 20 0 GBADHM NC(=O)CCC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)CC1 ZINC000826391023 608445546 /nfs/dbraw/zinc/44/55/46/608445546.db2.gz UMSMMOGSNVNGIS-UHFFFAOYSA-N -1 3 379.446 -0.004 20 0 GBADHM NC(=O)CCC1CCN(c2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)CC1 ZINC000826391023 608445545 /nfs/dbraw/zinc/44/55/45/608445545.db2.gz UMSMMOGSNVNGIS-UHFFFAOYSA-N -1 3 379.446 -0.004 20 0 GBADHM NC(=O)[C@@H]1COCCN1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826391100 608808065 /nfs/dbraw/zinc/80/80/65/608808065.db2.gz WVCCDUWSMJZNQC-JTQLQIEISA-N -1 3 391.457 -0.068 20 0 GBADHM NC(=O)[C@@H]1COCCN1CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000826391100 608808061 /nfs/dbraw/zinc/80/80/61/608808061.db2.gz WVCCDUWSMJZNQC-JTQLQIEISA-N -1 3 391.457 -0.068 20 0 GBADHM NC(=O)[C@H]1COCCN1CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000826391101 608808024 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3 396.411 -0.473 20 0 GBADHM NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826391316 607751365 /nfs/dbraw/zinc/75/13/65/607751365.db2.gz GAEDNNHUEVQRCH-CQSZACIVSA-N -1 3 396.411 -0.473 20 0 GBADHM NC(=O)CN1CCC(NS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826391328 608001858 /nfs/dbraw/zinc/00/18/58/608001858.db2.gz GLJKIGDFCJYWQD-UHFFFAOYSA-N -1 3 397.436 -0.625 20 0 GBADHM NC(=O)CN1CCC(NS(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826391328 608001857 /nfs/dbraw/zinc/00/18/57/608001857.db2.gz GLJKIGDFCJYWQD-UHFFFAOYSA-N -1 3 397.436 -0.625 20 0 GBADHM NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826391368 609231850 /nfs/dbraw/zinc/23/18/50/609231850.db2.gz ILTZUCMIASSOAJ-AWEZNQCLSA-N -1 3 396.411 -0.473 20 0 GBADHM NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826391368 609231849 /nfs/dbraw/zinc/23/18/49/609231849.db2.gz ILTZUCMIASSOAJ-AWEZNQCLSA-N -1 3 396.411 -0.473 20 0 GBADHM NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826391369 609231826 /nfs/dbraw/zinc/23/18/26/609231826.db2.gz ILTZUCMIASSOAJ-CQSZACIVSA-N -1 3 396.411 -0.473 20 0 GBADHM NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826391369 609231825 /nfs/dbraw/zinc/23/18/25/609231825.db2.gz ILTZUCMIASSOAJ-CQSZACIVSA-N -1 3 396.411 -0.473 20 0 GBADHM NC(=O)CN1C[C@@H](OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000826391378 609257931 /nfs/dbraw/zinc/25/79/31/609257931.db2.gz IXJLRZDBRRIQDW-KBPBESRZSA-N -1 3 399.411 -0.535 20 0 GBADHM NC(=O)CN1C[C@H](OC(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000826391379 609257950 /nfs/dbraw/zinc/25/79/50/609257950.db2.gz IXJLRZDBRRIQDW-KGLIPLIRSA-N -1 3 399.411 -0.535 20 0 GBADHM NC(=O)CN1C[C@@H](OC(=O)[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000826391380 609257632 /nfs/dbraw/zinc/25/76/32/609257632.db2.gz IXJLRZDBRRIQDW-UONOGXRCSA-N -1 3 399.411 -0.535 20 0 GBADHM 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NC(=O)COCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826391424 607742992 /nfs/dbraw/zinc/74/29/92/607742992.db2.gz KIIYCKVMMVTVCN-UHFFFAOYSA-N -1 3 394.335 -0.334 20 0 GBADHM NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826391435 609216571 /nfs/dbraw/zinc/21/65/71/609216571.db2.gz LACXWSVLDSNDTK-HNNXBMFYSA-N -1 3 395.379 -0.246 20 0 GBADHM NC(=O)CNC(=O)c1ccc(NC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826391435 609216569 /nfs/dbraw/zinc/21/65/69/609216569.db2.gz LACXWSVLDSNDTK-HNNXBMFYSA-N -1 3 395.379 -0.246 20 0 GBADHM NC(=O)CNC(=O)c1ccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826391436 609216457 /nfs/dbraw/zinc/21/64/57/609216457.db2.gz LACXWSVLDSNDTK-OAHLLOKOSA-N -1 3 395.379 -0.246 20 0 GBADHM NC(=O)CNC(=O)c1ccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826391436 609216456 /nfs/dbraw/zinc/21/64/56/609216456.db2.gz LACXWSVLDSNDTK-OAHLLOKOSA-N -1 3 395.379 -0.246 20 0 GBADHM NC(=O)COCCNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000826391488 607751362 /nfs/dbraw/zinc/75/13/62/607751362.db2.gz NJYSFIBQBYIWAB-UHFFFAOYSA-N -1 3 375.389 -0.406 20 0 GBADHM NC(=O)COCCNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000826391488 607751361 /nfs/dbraw/zinc/75/13/61/607751361.db2.gz NJYSFIBQBYIWAB-UHFFFAOYSA-N -1 3 375.389 -0.406 20 0 GBADHM NC(=O)COCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826391513 607743057 /nfs/dbraw/zinc/74/30/57/607743057.db2.gz OMDYBXOLHRALSW-UHFFFAOYSA-N -1 3 394.335 -0.334 20 0 GBADHM NC(=O)COCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826391513 607743056 /nfs/dbraw/zinc/74/30/56/607743056.db2.gz OMDYBXOLHRALSW-UHFFFAOYSA-N -1 3 394.335 -0.334 20 0 GBADHM NC(=O)CNC(=S)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826391527 608529025 /nfs/dbraw/zinc/52/90/25/608529025.db2.gz PAMGGYIGNLNUGM-UHFFFAOYSA-N -1 3 376.446 -0.099 20 0 GBADHM NC(=O)CNC(=S)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826391527 608529024 /nfs/dbraw/zinc/52/90/24/608529024.db2.gz PAMGGYIGNLNUGM-UHFFFAOYSA-N -1 3 376.446 -0.099 20 0 GBADHM NC(=O)CN1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826391611 948198384 /nfs/dbraw/zinc/19/83/84/948198384.db2.gz SVDKLNQUBDUFJK-HNNXBMFYSA-N -1 3 384.444 -0.535 20 0 GBADHM NC(=O)CN1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826391611 948198381 /nfs/dbraw/zinc/19/83/81/948198381.db2.gz SVDKLNQUBDUFJK-HNNXBMFYSA-N -1 3 384.444 -0.535 20 0 GBADHM NC(=O)CN1CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CC1 ZINC000826391612 948197684 /nfs/dbraw/zinc/19/76/84/948197684.db2.gz SVDKLNQUBDUFJK-OAHLLOKOSA-N -1 3 384.444 -0.535 20 0 GBADHM NC(=O)CN1CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CC1 ZINC000826391612 948197681 /nfs/dbraw/zinc/19/76/81/948197681.db2.gz SVDKLNQUBDUFJK-OAHLLOKOSA-N -1 3 384.444 -0.535 20 0 GBADHM NC(=O)NC1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC000826391758 608338171 /nfs/dbraw/zinc/33/81/71/608338171.db2.gz AQGKGRUFNBTBGF-UHFFFAOYSA-N -1 3 383.409 -0.032 20 0 GBADHM NC(=O)NC1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000826391758 608338170 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GBADHM NC(=O)NC1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826391816 607829034 /nfs/dbraw/zinc/82/90/34/607829034.db2.gz CHGMVICCVBTLJW-UHFFFAOYSA-N -1 3 379.446 -0.227 20 0 GBADHM NC(=O)N[C@H](CO)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826391833 948198272 /nfs/dbraw/zinc/19/82/72/948198272.db2.gz DBUIDIAKFPHTEG-SECBINFHSA-N -1 3 391.779 -0.327 20 0 GBADHM NC(=O)N[C@@H](CO)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826391834 948198369 /nfs/dbraw/zinc/19/83/69/948198369.db2.gz DBUIDIAKFPHTEG-VIFPVBQESA-N -1 3 391.779 -0.327 20 0 GBADHM NC(=O)Cn1cc(C(=O)Nc2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)nn1 ZINC000826391939 609288235 /nfs/dbraw/zinc/28/82/35/609288235.db2.gz IAXCTSDAAZAGKX-UHFFFAOYSA-N -1 3 397.334 -0.479 20 0 GBADHM NC(=O)N[C@H](CO)C(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826392028 948200895 /nfs/dbraw/zinc/20/08/95/948200895.db2.gz LJGNMHPYUGZORK-LLVKDONJSA-N -1 3 388.413 -0.118 20 0 GBADHM NC(=O)N[C@H](CO)C(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826392028 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607758843 /nfs/dbraw/zinc/75/88/43/607758843.db2.gz DDVMZGUSLQFELQ-UHFFFAOYSA-N -1 3 398.387 -0.620 20 0 GBADHM NC(=O)c1cc(C[N-]S(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)on1 ZINC000826392631 608339901 /nfs/dbraw/zinc/33/99/01/608339901.db2.gz GJANVESIVVMSGK-UHFFFAOYSA-N -1 3 381.349 -0.288 20 0 GBADHM NC(=O)NCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826392823 608551197 /nfs/dbraw/zinc/55/11/97/608551197.db2.gz OKAJTSQFMZRAIA-LLVKDONJSA-N -1 3 390.429 -0.235 20 0 GBADHM NC(=O)NCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826392823 608551195 /nfs/dbraw/zinc/55/11/95/608551195.db2.gz OKAJTSQFMZRAIA-LLVKDONJSA-N -1 3 390.429 -0.235 20 0 GBADHM NC(=O)NCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826392824 608550937 /nfs/dbraw/zinc/55/09/37/608550937.db2.gz OKAJTSQFMZRAIA-NSHDSACASA-N -1 3 390.429 -0.235 20 0 GBADHM NC(=O)NCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826392824 608550936 /nfs/dbraw/zinc/55/09/36/608550936.db2.gz OKAJTSQFMZRAIA-NSHDSACASA-N -1 3 390.429 -0.235 20 0 GBADHM NC(=O)c1cc(CNC(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)on1 ZINC000826392889 607758998 /nfs/dbraw/zinc/75/89/98/607758998.db2.gz RHXRIYBREMROSO-UHFFFAOYSA-N -1 3 398.387 -0.620 20 0 GBADHM NC(=O)c1cc(CNC(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)on1 ZINC000826392889 607758997 /nfs/dbraw/zinc/75/89/97/607758997.db2.gz RHXRIYBREMROSO-UHFFFAOYSA-N -1 3 398.387 -0.620 20 0 GBADHM NC(=O)c1cc(CNC(=O)N2CCN(c3ccccc3-c3nn[n-]n3)CC2)on1 ZINC000826392957 607759751 /nfs/dbraw/zinc/75/97/51/607759751.db2.gz VJFCEHLMEIMLDT-UHFFFAOYSA-N -1 3 397.399 -0.015 20 0 GBADHM NC(=O)c1cc(CNC(=O)N2CCN(c3ccccc3-c3nnn[n-]3)CC2)on1 ZINC000826392957 607759750 /nfs/dbraw/zinc/75/97/50/607759750.db2.gz VJFCEHLMEIMLDT-UHFFFAOYSA-N -1 3 397.399 -0.015 20 0 GBADHM NC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826393183 609396123 /nfs/dbraw/zinc/39/61/23/609396123.db2.gz GHBAWGWPUOAPMG-UHFFFAOYSA-N -1 3 381.352 -0.166 20 0 GBADHM NC(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826393183 609396121 /nfs/dbraw/zinc/39/61/21/609396121.db2.gz GHBAWGWPUOAPMG-UHFFFAOYSA-N -1 3 381.352 -0.166 20 0 GBADHM NC(=O)c1cccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC000826393186 609379343 /nfs/dbraw/zinc/37/93/43/609379343.db2.gz GLKRZEBBBLSXKS-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NC(=O)c1cccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC000826393186 609379340 /nfs/dbraw/zinc/37/93/40/609379340.db2.gz GLKRZEBBBLSXKS-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NC(=O)c1cccc(C(=O)N2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)n1 ZINC000826393312 609413443 /nfs/dbraw/zinc/41/34/43/609413443.db2.gz MQLRPJJLTSMXRP-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NC(=O)c1cccc(C(=O)N2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)n1 ZINC000826393312 609413441 /nfs/dbraw/zinc/41/34/41/609413441.db2.gz MQLRPJJLTSMXRP-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NC(=O)c1cccc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)n1 ZINC000826393439 609413174 /nfs/dbraw/zinc/41/31/74/609413174.db2.gz RZDYALAOXNDXDD-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NC(=O)c1cccc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)n1 ZINC000826393439 609413172 /nfs/dbraw/zinc/41/31/72/609413172.db2.gz RZDYALAOXNDXDD-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NC(=O)c1cccc(C(=O)OCC(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826393491 609395787 /nfs/dbraw/zinc/39/57/87/609395787.db2.gz URZJAXIYAKHCSZ-UHFFFAOYSA-N -1 3 381.352 -0.166 20 0 GBADHM NC(=O)c1cccc(C(=O)OCC(=O)NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826393491 609395785 /nfs/dbraw/zinc/39/57/85/609395785.db2.gz URZJAXIYAKHCSZ-UHFFFAOYSA-N -1 3 381.352 -0.166 20 0 GBADHM NC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000826393592 607668154 /nfs/dbraw/zinc/66/81/54/607668154.db2.gz ZLYBNTGUXUAKAE-UHFFFAOYSA-N -1 3 377.361 -0.022 20 0 GBADHM NC(=O)c1cnn2c1nccc2C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826393617 608167382 /nfs/dbraw/zinc/16/73/82/608167382.db2.gz AYNAJKFFKJKERF-UHFFFAOYSA-N -1 3 393.367 -0.183 20 0 GBADHM NC(=O)c1cn(C2CN(C(=O)CSc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000826393651 609473637 /nfs/dbraw/zinc/47/36/37/609473637.db2.gz CBMDYJKTFLIDLS-UHFFFAOYSA-N -1 3 385.413 -0.267 20 0 GBADHM NC(=O)c1cn(C2CN(C(=O)CSc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000826393651 609473636 /nfs/dbraw/zinc/47/36/36/609473636.db2.gz CBMDYJKTFLIDLS-UHFFFAOYSA-N -1 3 385.413 -0.267 20 0 GBADHM NS(=O)(=O)[C@H]1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826393715 948202469 /nfs/dbraw/zinc/20/24/69/948202469.db2.gz GGOFDLNNKWHSHK-KBPBESRZSA-N -1 3 391.457 -0.275 20 0 GBADHM NS(=O)(=O)[C@H]1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826393715 948202460 /nfs/dbraw/zinc/20/24/60/948202460.db2.gz GGOFDLNNKWHSHK-KBPBESRZSA-N -1 3 391.457 -0.275 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN([C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826393716 948202614 /nfs/dbraw/zinc/20/26/14/948202614.db2.gz GGOFDLNNKWHSHK-KGLIPLIRSA-N -1 3 391.457 -0.275 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN([C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826393716 948202608 /nfs/dbraw/zinc/20/26/08/948202608.db2.gz GGOFDLNNKWHSHK-KGLIPLIRSA-N -1 3 391.457 -0.275 20 0 GBADHM NS(=O)(=O)[C@H]1CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826393717 948204538 /nfs/dbraw/zinc/20/45/38/948204538.db2.gz GGOFDLNNKWHSHK-UONOGXRCSA-N -1 3 391.457 -0.275 20 0 GBADHM NS(=O)(=O)[C@H]1CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826393717 948204534 /nfs/dbraw/zinc/20/45/34/948204534.db2.gz GGOFDLNNKWHSHK-UONOGXRCSA-N -1 3 391.457 -0.275 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN([C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)C1 ZINC000826393718 948203357 /nfs/dbraw/zinc/20/33/57/948203357.db2.gz GGOFDLNNKWHSHK-ZIAGYGMSSA-N -1 3 391.457 -0.275 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN([C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)C1 ZINC000826393718 948203350 /nfs/dbraw/zinc/20/33/50/948203350.db2.gz GGOFDLNNKWHSHK-ZIAGYGMSSA-N -1 3 391.457 -0.275 20 0 GBADHM NC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826393732 609622038 /nfs/dbraw/zinc/62/20/38/609622038.db2.gz GWOVINGOXAOURO-UHFFFAOYSA-N -1 3 384.331 -0.245 20 0 GBADHM NC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826393732 609622037 /nfs/dbraw/zinc/62/20/37/609622037.db2.gz GWOVINGOXAOURO-UHFFFAOYSA-N -1 3 384.331 -0.245 20 0 GBADHM NC(=O)c1cccc(NC(=O)C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826393763 609622092 /nfs/dbraw/zinc/62/20/92/609622092.db2.gz IMHPAAAJJWKKMV-UHFFFAOYSA-N -1 3 396.367 -0.506 20 0 GBADHM NC(=O)c1cnn2c1nccc2C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826393793 608120045 /nfs/dbraw/zinc/12/00/45/608120045.db2.gz JYHDEJYFKXWIRB-UHFFFAOYSA-N -1 3 393.371 -0.755 20 0 GBADHM NC(=O)c1cnn2c1nccc2C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000826393793 608120044 /nfs/dbraw/zinc/12/00/44/608120044.db2.gz JYHDEJYFKXWIRB-UHFFFAOYSA-N -1 3 393.371 -0.755 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826393804 609446599 /nfs/dbraw/zinc/44/65/99/609446599.db2.gz KJHZQEUKFVLMPC-SECBINFHSA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826393804 609446597 /nfs/dbraw/zinc/44/65/97/609446597.db2.gz KJHZQEUKFVLMPC-SECBINFHSA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000826393805 609446968 /nfs/dbraw/zinc/44/69/68/609446968.db2.gz KJHZQEUKFVLMPC-VIFPVBQESA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC000826393805 609446967 /nfs/dbraw/zinc/44/69/67/609446967.db2.gz KJHZQEUKFVLMPC-VIFPVBQESA-N -1 3 390.422 -0.553 20 0 GBADHM NC(=O)c1cn(C2CN(C(=O)CSCc3ccc(-c4nn[n-]n4)cc3)C2)nn1 ZINC000826393831 609473061 /nfs/dbraw/zinc/47/30/61/609473061.db2.gz LJZNNJBCMBXOME-UHFFFAOYSA-N -1 3 399.440 -0.126 20 0 GBADHM NC(=O)c1cn(C2CN(C(=O)CSCc3ccc(-c4nnn[n-]4)cc3)C2)nn1 ZINC000826393831 609473059 /nfs/dbraw/zinc/47/30/59/609473059.db2.gz LJZNNJBCMBXOME-UHFFFAOYSA-N -1 3 399.440 -0.126 20 0 GBADHM NC(=O)c1cn(C2CN(C(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)C2)nn1 ZINC000826393839 609473383 /nfs/dbraw/zinc/47/33/83/609473383.db2.gz LWQBFYWJOQBSOU-UHFFFAOYSA-N -1 3 375.299 -0.468 20 0 GBADHM NC(=O)c1cn(C2CN(C(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)C2)nn1 ZINC000826393839 609473380 /nfs/dbraw/zinc/47/33/80/609473380.db2.gz LWQBFYWJOQBSOU-UHFFFAOYSA-N -1 3 375.299 -0.468 20 0 GBADHM NS(=O)(=O)C1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826393865 608040439 /nfs/dbraw/zinc/04/04/39/608040439.db2.gz MSTKYUXNGOFDDJ-UHFFFAOYSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)C1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826393865 608040438 /nfs/dbraw/zinc/04/04/38/608040438.db2.gz MSTKYUXNGOFDDJ-UHFFFAOYSA-N -1 3 379.446 -0.764 20 0 GBADHM NC(=O)c1nccnc1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826393871 608089628 /nfs/dbraw/zinc/08/96/28/608089628.db2.gz MYSWNHVXSBZBBQ-GFCCVEGCSA-N -1 3 380.368 -0.031 20 0 GBADHM NC(=O)c1nccnc1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826393871 608089627 /nfs/dbraw/zinc/08/96/27/608089627.db2.gz MYSWNHVXSBZBBQ-GFCCVEGCSA-N -1 3 380.368 -0.031 20 0 GBADHM NC(=O)c1nccnc1C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826393872 608089739 /nfs/dbraw/zinc/08/97/39/608089739.db2.gz MYSWNHVXSBZBBQ-LBPRGKRZSA-N -1 3 380.368 -0.031 20 0 GBADHM NC(=O)c1nccnc1C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826393872 608089738 /nfs/dbraw/zinc/08/97/38/608089738.db2.gz MYSWNHVXSBZBBQ-LBPRGKRZSA-N -1 3 380.368 -0.031 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826393919 608566484 /nfs/dbraw/zinc/56/64/84/608566484.db2.gz OZQLFJIUZFBJRK-GFCCVEGCSA-N -1 3 386.459 -0.551 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826393919 608566482 /nfs/dbraw/zinc/56/64/82/608566482.db2.gz OZQLFJIUZFBJRK-GFCCVEGCSA-N -1 3 386.459 -0.551 20 0 GBADHM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826393920 608566340 /nfs/dbraw/zinc/56/63/40/608566340.db2.gz OZQLFJIUZFBJRK-LBPRGKRZSA-N -1 3 386.459 -0.551 20 0 GBADHM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826393920 608566338 /nfs/dbraw/zinc/56/63/38/608566338.db2.gz OZQLFJIUZFBJRK-LBPRGKRZSA-N -1 3 386.459 -0.551 20 0 GBADHM NC(=O)c1cnn2c1nccc2C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000826393928 608117024 /nfs/dbraw/zinc/11/70/24/608117024.db2.gz PJTXTOGIWIDTPS-UHFFFAOYSA-N -1 3 393.371 -0.755 20 0 GBADHM NC(=O)c1cnn2c1nccc2C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000826393928 608117023 /nfs/dbraw/zinc/11/70/23/608117023.db2.gz PJTXTOGIWIDTPS-UHFFFAOYSA-N -1 3 393.371 -0.755 20 0 GBADHM NC(=O)c1cccc(C[S@@](=O)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826393987 609511415 /nfs/dbraw/zinc/51/14/15/609511415.db2.gz RXKSXIQCPFNPKP-MUUNZHRXSA-N -1 3 399.436 -0.074 20 0 GBADHM NC(=O)c1cccc(C[S@](=O)CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826393988 609511379 /nfs/dbraw/zinc/51/13/79/609511379.db2.gz RXKSXIQCPFNPKP-NDEPHWFRSA-N -1 3 399.436 -0.074 20 0 GBADHM NC(=O)c1cccc(C[S@@](=O)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826394028 609511246 /nfs/dbraw/zinc/51/12/46/609511246.db2.gz UGQCIJACYVNVQY-MUUNZHRXSA-N -1 3 399.436 -0.074 20 0 GBADHM NC(=O)c1cccc(C[S@](=O)CC(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826394029 609511457 /nfs/dbraw/zinc/51/14/57/609511457.db2.gz UGQCIJACYVNVQY-NDEPHWFRSA-N -1 3 399.436 -0.074 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826394125 609446841 /nfs/dbraw/zinc/44/68/41/609446841.db2.gz XSDVIIXWZYWAAU-SECBINFHSA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000826394126 609447017 /nfs/dbraw/zinc/44/70/17/609447017.db2.gz XSDVIIXWZYWAAU-VIFPVBQESA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826394130 608566070 /nfs/dbraw/zinc/56/60/70/608566070.db2.gz XXSVVYKWQJNRTG-SECBINFHSA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826394131 608566008 /nfs/dbraw/zinc/56/60/08/608566008.db2.gz XXSVVYKWQJNRTG-VIFPVBQESA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)CCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826394185 638011105 /nfs/dbraw/zinc/01/11/05/638011105.db2.gz AIYQCFADAWGWHM-UHFFFAOYSA-N -1 3 377.333 -0.122 20 0 GBADHM NS(=O)(=O)CCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826394185 638011096 /nfs/dbraw/zinc/01/10/96/638011096.db2.gz AIYQCFADAWGWHM-UHFFFAOYSA-N -1 3 377.333 -0.122 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC3(COC(=O)N3)CC2)c(-c2nn[n-]n2)c1 ZINC000826394194 609601431 /nfs/dbraw/zinc/60/14/31/609601431.db2.gz AOFDVXMJXITHJD-UHFFFAOYSA-N -1 3 379.402 -0.407 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCC3(COC(=O)N3)CC2)c(-c2nnn[n-]2)c1 ZINC000826394194 609601430 /nfs/dbraw/zinc/60/14/30/609601430.db2.gz AOFDVXMJXITHJD-UHFFFAOYSA-N -1 3 379.402 -0.407 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826394220 608303102 /nfs/dbraw/zinc/30/31/02/608303102.db2.gz BLMIIYOJGHKRCL-JTQLQIEISA-N -1 3 390.422 -0.802 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826394220 608303100 /nfs/dbraw/zinc/30/31/00/608303100.db2.gz BLMIIYOJGHKRCL-JTQLQIEISA-N -1 3 390.422 -0.802 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000826394221 608302863 /nfs/dbraw/zinc/30/28/63/608302863.db2.gz BLMIIYOJGHKRCL-SNVBAGLBSA-N -1 3 390.422 -0.802 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000826394221 608302860 /nfs/dbraw/zinc/30/28/60/608302860.db2.gz BLMIIYOJGHKRCL-SNVBAGLBSA-N -1 3 390.422 -0.802 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826394255 609446584 /nfs/dbraw/zinc/44/65/84/609446584.db2.gz CTWFPKGGPFBLCC-SECBINFHSA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826394255 609446582 /nfs/dbraw/zinc/44/65/82/609446582.db2.gz CTWFPKGGPFBLCC-SECBINFHSA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826394256 609446629 /nfs/dbraw/zinc/44/66/29/609446629.db2.gz CTWFPKGGPFBLCC-VIFPVBQESA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826394256 609446628 /nfs/dbraw/zinc/44/66/28/609446628.db2.gz CTWFPKGGPFBLCC-VIFPVBQESA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826394266 608104925 /nfs/dbraw/zinc/10/49/25/608104925.db2.gz DEFKCIINBUALSF-UHFFFAOYSA-N -1 3 388.365 -0.051 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826394267 608001089 /nfs/dbraw/zinc/00/10/89/608001089.db2.gz DFQGYMSVSCOAEB-MRVPVSSYSA-N -1 3 392.850 -0.428 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000826394268 608001022 /nfs/dbraw/zinc/00/10/22/608001022.db2.gz DFQGYMSVSCOAEB-QMMMGPOBSA-N -1 3 392.850 -0.428 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826394273 608764976 /nfs/dbraw/zinc/76/49/76/608764976.db2.gz DNRCHXYDCFALSI-UHFFFAOYSA-N -1 3 389.397 -0.282 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826394286 608001122 /nfs/dbraw/zinc/00/11/22/608001122.db2.gz FCUSLWDFWMZLCR-MRVPVSSYSA-N -1 3 392.850 -0.428 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826394286 608001121 /nfs/dbraw/zinc/00/11/21/608001121.db2.gz FCUSLWDFWMZLCR-MRVPVSSYSA-N -1 3 392.850 -0.428 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000826394287 608001125 /nfs/dbraw/zinc/00/11/25/608001125.db2.gz FCUSLWDFWMZLCR-QMMMGPOBSA-N -1 3 392.850 -0.428 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000826394287 608001124 /nfs/dbraw/zinc/00/11/24/608001124.db2.gz FCUSLWDFWMZLCR-QMMMGPOBSA-N -1 3 392.850 -0.428 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826394289 608260991 /nfs/dbraw/zinc/26/09/91/608260991.db2.gz FDSVANHIHLMWHP-GFCCVEGCSA-N -1 3 386.459 -0.997 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826394289 608260989 /nfs/dbraw/zinc/26/09/89/608260989.db2.gz FDSVANHIHLMWHP-GFCCVEGCSA-N -1 3 386.459 -0.997 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826394290 608260767 /nfs/dbraw/zinc/26/07/67/608260767.db2.gz FDSVANHIHLMWHP-LBPRGKRZSA-N -1 3 386.459 -0.997 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826394290 608260765 /nfs/dbraw/zinc/26/07/65/608260765.db2.gz FDSVANHIHLMWHP-LBPRGKRZSA-N -1 3 386.459 -0.997 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826394304 608565999 /nfs/dbraw/zinc/56/59/99/608565999.db2.gz FLDRHIKKSCKALC-GFCCVEGCSA-N -1 3 386.459 -0.551 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826394304 608565998 /nfs/dbraw/zinc/56/59/98/608565998.db2.gz FLDRHIKKSCKALC-GFCCVEGCSA-N -1 3 386.459 -0.551 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826394305 608566151 /nfs/dbraw/zinc/56/61/51/608566151.db2.gz FLDRHIKKSCKALC-LBPRGKRZSA-N -1 3 386.459 -0.551 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826394305 608566149 /nfs/dbraw/zinc/56/61/49/608566149.db2.gz FLDRHIKKSCKALC-LBPRGKRZSA-N -1 3 386.459 -0.551 20 0 GBADHM NS(=O)(=O)c1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826394306 609185659 /nfs/dbraw/zinc/18/56/59/609185659.db2.gz FMNZMWFPKMILSX-GFCCVEGCSA-N -1 3 394.438 -0.075 20 0 GBADHM NS(=O)(=O)c1ccc(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826394307 609185655 /nfs/dbraw/zinc/18/56/55/609185655.db2.gz FMNZMWFPKMILSX-LBPRGKRZSA-N -1 3 394.438 -0.075 20 0 GBADHM NS(=O)(=O)CC1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826394313 608040446 /nfs/dbraw/zinc/04/04/46/608040446.db2.gz FQRUOJHWLJZZFB-UHFFFAOYSA-N -1 3 393.473 -0.517 20 0 GBADHM NS(=O)(=O)CC1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826394313 608040445 /nfs/dbraw/zinc/04/04/45/608040445.db2.gz FQRUOJHWLJZZFB-UHFFFAOYSA-N -1 3 393.473 -0.517 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)NC2(c3cccc(-c4nn[n-]n4)c3)CC2)CC1 ZINC000826394342 607425942 /nfs/dbraw/zinc/42/59/42/607425942.db2.gz GPXXJLWAAIVZTJ-UHFFFAOYSA-N -1 3 391.457 -0.113 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)NC2(c3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000826394342 607425941 /nfs/dbraw/zinc/42/59/41/607425941.db2.gz GPXXJLWAAIVZTJ-UHFFFAOYSA-N -1 3 391.457 -0.113 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826394356 607957585 /nfs/dbraw/zinc/95/75/85/607957585.db2.gz GYOOTZNTBHODCK-GFCCVEGCSA-N -1 3 386.459 -0.997 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826394356 607957584 /nfs/dbraw/zinc/95/75/84/607957584.db2.gz GYOOTZNTBHODCK-GFCCVEGCSA-N -1 3 386.459 -0.997 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826394357 607957782 /nfs/dbraw/zinc/95/77/82/607957782.db2.gz GYOOTZNTBHODCK-LBPRGKRZSA-N -1 3 386.459 -0.997 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826394357 607957781 /nfs/dbraw/zinc/95/77/81/607957781.db2.gz GYOOTZNTBHODCK-LBPRGKRZSA-N -1 3 386.459 -0.997 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cn1 ZINC000826394358 608103811 /nfs/dbraw/zinc/10/38/11/608103811.db2.gz GZZHMDBFVXPZLJ-UHFFFAOYSA-N -1 3 377.361 -0.022 20 0 GBADHM NS(=O)(=O)C1CCN(CC(=O)NCc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826394385 608040412 /nfs/dbraw/zinc/04/04/12/608040412.db2.gz ICQTUYIDWCLMKR-UHFFFAOYSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)C1CCN(CC(=O)NCc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826394385 608040411 /nfs/dbraw/zinc/04/04/11/608040411.db2.gz ICQTUYIDWCLMKR-UHFFFAOYSA-N -1 3 379.446 -0.764 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000826394395 608771993 /nfs/dbraw/zinc/77/19/93/608771993.db2.gz INNKNOOMELHETC-UHFFFAOYSA-N -1 3 388.365 -0.051 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000826394395 608771991 /nfs/dbraw/zinc/77/19/91/608771991.db2.gz INNKNOOMELHETC-UHFFFAOYSA-N -1 3 388.365 -0.051 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC000826394403 608116976 /nfs/dbraw/zinc/11/69/76/608116976.db2.gz IWVCRERTEUAPJM-UHFFFAOYSA-N -1 3 389.401 -0.854 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000826394449 608001092 /nfs/dbraw/zinc/00/10/92/608001092.db2.gz KPLBJQJDOUXGQH-SSDOTTSWSA-N -1 3 394.385 -0.804 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000826394449 608001091 /nfs/dbraw/zinc/00/10/91/608001091.db2.gz KPLBJQJDOUXGQH-SSDOTTSWSA-N -1 3 394.385 -0.804 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000826394450 608000918 /nfs/dbraw/zinc/00/09/18/608000918.db2.gz KPLBJQJDOUXGQH-ZETCQYMHSA-N -1 3 394.385 -0.804 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000826394450 608000917 /nfs/dbraw/zinc/00/09/17/608000917.db2.gz KPLBJQJDOUXGQH-ZETCQYMHSA-N -1 3 394.385 -0.804 20 0 GBADHM NS(=O)(=O)CCNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826394456 609361267 /nfs/dbraw/zinc/36/12/67/609361267.db2.gz KRMWVNOLFPZPQG-UHFFFAOYSA-N -1 3 395.380 -0.399 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826394457 609446420 /nfs/dbraw/zinc/44/64/20/609446420.db2.gz KSWRNYXZIAGBTR-SECBINFHSA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826394458 609446426 /nfs/dbraw/zinc/44/64/26/609446426.db2.gz KSWRNYXZIAGBTR-VIFPVBQESA-N -1 3 390.422 -0.553 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000826394464 608103591 /nfs/dbraw/zinc/10/35/91/608103591.db2.gz KYQAICJVIZKGDP-UHFFFAOYSA-N -1 3 377.361 -0.022 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)CC1 ZINC000826394469 607955379 /nfs/dbraw/zinc/95/53/79/607955379.db2.gz LFEDGMMBWUVIGH-UHFFFAOYSA-N -1 3 377.430 -0.329 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)CC1 ZINC000826394469 607955378 /nfs/dbraw/zinc/95/53/78/607955378.db2.gz LFEDGMMBWUVIGH-UHFFFAOYSA-N -1 3 377.430 -0.329 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826394494 609561400 /nfs/dbraw/zinc/56/14/00/609561400.db2.gz MCPRHPHGEPZDTB-MRVPVSSYSA-N -1 3 392.850 -0.428 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826394494 609561398 /nfs/dbraw/zinc/56/13/98/609561398.db2.gz MCPRHPHGEPZDTB-MRVPVSSYSA-N -1 3 392.850 -0.428 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC000826394495 609560865 /nfs/dbraw/zinc/56/08/65/609560865.db2.gz MCPRHPHGEPZDTB-QMMMGPOBSA-N -1 3 392.850 -0.428 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC000826394495 609560864 /nfs/dbraw/zinc/56/08/64/609560864.db2.gz MCPRHPHGEPZDTB-QMMMGPOBSA-N -1 3 392.850 -0.428 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826394507 607362982 /nfs/dbraw/zinc/36/29/82/607362982.db2.gz MMIWSORSUPQOFK-UHFFFAOYSA-N -1 3 394.413 -0.492 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826394507 607362980 /nfs/dbraw/zinc/36/29/80/607362980.db2.gz MMIWSORSUPQOFK-UHFFFAOYSA-N -1 3 394.413 -0.492 20 0 GBADHM NS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826394515 608105066 /nfs/dbraw/zinc/10/50/66/608105066.db2.gz MSORAVZPWHFNRW-UHFFFAOYSA-N -1 3 388.365 -0.051 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826394520 607363137 /nfs/dbraw/zinc/36/31/37/607363137.db2.gz NASUBZBHMAORDJ-UHFFFAOYSA-N -1 3 394.413 -0.492 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826394520 607363135 /nfs/dbraw/zinc/36/31/35/607363135.db2.gz NASUBZBHMAORDJ-UHFFFAOYSA-N -1 3 394.413 -0.492 20 0 GBADHM NS(=O)(=O)CC1CCN(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826394532 608040451 /nfs/dbraw/zinc/04/04/51/608040451.db2.gz NMJJXBMLWZJFAZ-UHFFFAOYSA-N -1 3 379.446 -0.194 20 0 GBADHM NS(=O)(=O)CC1CCN(CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826394532 608040450 /nfs/dbraw/zinc/04/04/50/608040450.db2.gz NMJJXBMLWZJFAZ-UHFFFAOYSA-N -1 3 379.446 -0.194 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)CC1 ZINC000826394547 608441711 /nfs/dbraw/zinc/44/17/11/608441711.db2.gz OHMPHALSJNBOEB-UHFFFAOYSA-N -1 3 384.393 -0.036 20 0 GBADHM NS(=O)(=O)N1CCC(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000826394547 608441709 /nfs/dbraw/zinc/44/17/09/608441709.db2.gz OHMPHALSJNBOEB-UHFFFAOYSA-N -1 3 384.393 -0.036 20 0 GBADHM NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826394571 608000983 /nfs/dbraw/zinc/00/09/83/608000983.db2.gz OZVSJEJZAKDQJV-MRVPVSSYSA-N -1 3 376.395 -0.943 20 0 GBADHM NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC000826394572 608001045 /nfs/dbraw/zinc/00/10/45/608001045.db2.gz OZVSJEJZAKDQJV-QMMMGPOBSA-N -1 3 376.395 -0.943 20 0 GBADHM NS(=O)(=O)CCN1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC000826394584 608339774 /nfs/dbraw/zinc/33/97/74/608339774.db2.gz PKJGJUMPHDNMRN-UHFFFAOYSA-N -1 3 398.424 -0.556 20 0 GBADHM NS(=O)(=O)CCN1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000826394584 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GBADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826394791 609251330 /nfs/dbraw/zinc/25/13/30/609251330.db2.gz ZMLXCTCLJZALQZ-OLZOCXBDSA-N -1 3 380.430 -0.430 20 0 GBADHM NS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826394791 609251329 /nfs/dbraw/zinc/25/13/29/609251329.db2.gz ZMLXCTCLJZALQZ-OLZOCXBDSA-N -1 3 380.430 -0.430 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826394792 609251496 /nfs/dbraw/zinc/25/14/96/609251496.db2.gz ZMLXCTCLJZALQZ-QWHCGFSZSA-N -1 3 380.430 -0.430 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826394792 609251494 /nfs/dbraw/zinc/25/14/94/609251494.db2.gz ZMLXCTCLJZALQZ-QWHCGFSZSA-N -1 3 380.430 -0.430 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826394793 609251235 /nfs/dbraw/zinc/25/12/35/609251235.db2.gz ZMLXCTCLJZALQZ-STQMWFEESA-N -1 3 380.430 -0.430 20 0 GBADHM 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ZINC000826394965 609196707 /nfs/dbraw/zinc/19/67/07/609196707.db2.gz GVKVTMXSEZJGKL-AWEZNQCLSA-N -1 3 388.409 -0.136 20 0 GBADHM NS(=O)(=O)c1cccc(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826394965 609196705 /nfs/dbraw/zinc/19/67/05/609196705.db2.gz GVKVTMXSEZJGKL-AWEZNQCLSA-N -1 3 388.409 -0.136 20 0 GBADHM NS(=O)(=O)c1cccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826394966 609196413 /nfs/dbraw/zinc/19/64/13/609196413.db2.gz GVKVTMXSEZJGKL-CQSZACIVSA-N -1 3 388.409 -0.136 20 0 GBADHM NS(=O)(=O)c1cccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826394966 609196411 /nfs/dbraw/zinc/19/64/11/609196411.db2.gz GVKVTMXSEZJGKL-CQSZACIVSA-N -1 3 388.409 -0.136 20 0 GBADHM NS(=O)(=O)c1ccc(NCCNC(=O)c2ccn[nH]2)c(-c2nn[n-]n2)c1 ZINC000826394984 609567828 /nfs/dbraw/zinc/56/78/28/609567828.db2.gz HSSQWJVWHJGIJS-UHFFFAOYSA-N -1 3 377.390 -0.921 20 0 GBADHM NS(=O)(=O)c1ccc(NCCNC(=O)c2ccn[nH]2)c(-c2nnn[n-]2)c1 ZINC000826394984 609567825 /nfs/dbraw/zinc/56/78/25/609567825.db2.gz HSSQWJVWHJGIJS-UHFFFAOYSA-N -1 3 377.390 -0.921 20 0 GBADHM NS(=O)(=O)c1cnn(CCC(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826395007 607953392 /nfs/dbraw/zinc/95/33/92/607953392.db2.gz IUTYMPWIJXIGJZ-UHFFFAOYSA-N -1 3 388.413 -0.310 20 0 GBADHM NS(=O)(=O)c1cnn(CCC(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826395007 607953391 /nfs/dbraw/zinc/95/33/91/607953391.db2.gz IUTYMPWIJXIGJZ-UHFFFAOYSA-N -1 3 388.413 -0.310 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCC(=O)NCC2CC2)cc1 ZINC000826395030 609403278 /nfs/dbraw/zinc/40/32/78/609403278.db2.gz KIZFPDYZPMZDAG-UHFFFAOYSA-N -1 3 381.400 -0.109 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCC(=O)NCC2CC2)cc1 ZINC000826395030 609403275 /nfs/dbraw/zinc/40/32/75/609403275.db2.gz KIZFPDYZPMZDAG-UHFFFAOYSA-N -1 3 381.400 -0.109 20 0 GBADHM Nc1n[nH]c(CCCNC(=O)C(=O)Nc2ccc3nccn3c2)c1-c1nnn[n-]1 ZINC000826395062 608341653 /nfs/dbraw/zinc/34/16/53/608341653.db2.gz LNWXLNKUDOWUDI-UHFFFAOYSA-N -1 3 395.387 -0.493 20 0 GBADHM NS(=O)(=O)c1ccc(NC[C@H]2COC3(CCOCC3)O2)c(-c2nn[n-]n2)c1 ZINC000826395156 609173700 /nfs/dbraw/zinc/17/37/00/609173700.db2.gz OTUXUYDWYJRKDA-JTQLQIEISA-N -1 3 396.429 -0.152 20 0 GBADHM NS(=O)(=O)c1ccc(NC[C@H]2COC3(CCOCC3)O2)c(-c2nnn[n-]2)c1 ZINC000826395156 609173697 /nfs/dbraw/zinc/17/36/97/609173697.db2.gz OTUXUYDWYJRKDA-JTQLQIEISA-N -1 3 396.429 -0.152 20 0 GBADHM NS(=O)(=O)c1ccc(NC[C@@H]2COC3(CCOCC3)O2)c(-c2nn[n-]n2)c1 ZINC000826395157 609173119 /nfs/dbraw/zinc/17/31/19/609173119.db2.gz OTUXUYDWYJRKDA-SNVBAGLBSA-N -1 3 396.429 -0.152 20 0 GBADHM NS(=O)(=O)c1ccc(NC[C@@H]2COC3(CCOCC3)O2)c(-c2nnn[n-]2)c1 ZINC000826395157 609173117 /nfs/dbraw/zinc/17/31/17/609173117.db2.gz OTUXUYDWYJRKDA-SNVBAGLBSA-N -1 3 396.429 -0.152 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000826395166 948206128 /nfs/dbraw/zinc/20/61/28/948206128.db2.gz PBVGBAKXSAIBCE-UHFFFAOYSA-N -1 3 397.399 -0.777 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCC(=O)N2CCOCC2)cc1 ZINC000826395166 948206122 /nfs/dbraw/zinc/20/61/22/948206122.db2.gz PBVGBAKXSAIBCE-UHFFFAOYSA-N -1 3 397.399 -0.777 20 0 GBADHM NS(=O)(=O)c1cnn(CC(=O)OCC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826395224 607370328 /nfs/dbraw/zinc/37/03/28/607370328.db2.gz SFXOBSYRWALERK-UHFFFAOYSA-N -1 3 391.369 -0.863 20 0 GBADHM NS(=O)(=O)c1cnn(CC(=O)OCC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826395224 607370326 /nfs/dbraw/zinc/37/03/26/607370326.db2.gz SFXOBSYRWALERK-UHFFFAOYSA-N -1 3 391.369 -0.863 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NC2(CO)CCOCC2)cc1 ZINC000826395225 948205619 /nfs/dbraw/zinc/20/56/19/948205619.db2.gz SHMOSCDJOGRPCB-UHFFFAOYSA-N -1 3 384.400 -0.094 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NC2(CO)CCOCC2)cc1 ZINC000826395225 948205616 /nfs/dbraw/zinc/20/56/16/948205616.db2.gz SHMOSCDJOGRPCB-UHFFFAOYSA-N -1 3 384.400 -0.094 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)N2CC(n3ccnn3)C2)cc1 ZINC000826395238 609473193 /nfs/dbraw/zinc/47/31/93/609473193.db2.gz SYYWJWFTICNXKO-UHFFFAOYSA-N -1 3 377.372 -0.077 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)N2CC(n3ccnn3)C2)cc1 ZINC000826395238 609473190 /nfs/dbraw/zinc/47/31/90/609473190.db2.gz SYYWJWFTICNXKO-UHFFFAOYSA-N -1 3 377.372 -0.077 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000826395280 608119994 /nfs/dbraw/zinc/11/99/94/608119994.db2.gz VFBGLDKWOPWWCD-UHFFFAOYSA-N -1 3 386.756 -0.226 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F ZINC000826395280 608119993 /nfs/dbraw/zinc/11/99/93/608119993.db2.gz VFBGLDKWOPWWCD-UHFFFAOYSA-N -1 3 386.756 -0.226 20 0 GBADHM NS(=O)(=O)c1cnn(CCC(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826395323 608446975 /nfs/dbraw/zinc/44/69/75/608446975.db2.gz WOLPUZHMZNHVES-UHFFFAOYSA-N -1 3 395.376 -0.017 20 0 GBADHM NS(=O)(=O)c1cnn(CCC(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826395323 608446973 /nfs/dbraw/zinc/44/69/73/608446973.db2.gz WOLPUZHMZNHVES-UHFFFAOYSA-N -1 3 395.376 -0.017 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCN3C(=O)OCC[C@@H]3C2)c(-c2nn[n-]n2)c1 ZINC000826395328 608147532 /nfs/dbraw/zinc/14/75/32/608147532.db2.gz WWIGPMKUIDAIOJ-SECBINFHSA-N -1 3 379.402 -0.455 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCN3C(=O)OCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000826395328 608147531 /nfs/dbraw/zinc/14/75/31/608147531.db2.gz WWIGPMKUIDAIOJ-SECBINFHSA-N -1 3 379.402 -0.455 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCN3C(=O)OCC[C@H]3C2)c(-c2nn[n-]n2)c1 ZINC000826395329 608147596 /nfs/dbraw/zinc/14/75/96/608147596.db2.gz WWIGPMKUIDAIOJ-VIFPVBQESA-N -1 3 379.402 -0.455 20 0 GBADHM NS(=O)(=O)c1ccc(N2CCN3C(=O)OCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000826395329 608147595 /nfs/dbraw/zinc/14/75/95/608147595.db2.gz WWIGPMKUIDAIOJ-VIFPVBQESA-N -1 3 379.402 -0.455 20 0 GBADHM NS(=O)(=O)c1ccc(NC[C@H]2CC(=O)N(C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000826395358 609571174 /nfs/dbraw/zinc/57/11/74/609571174.db2.gz XWPDLCSOSYVZND-SECBINFHSA-N -1 3 377.430 -0.063 20 0 GBADHM NS(=O)(=O)c1ccc(NC[C@H]2CC(=O)N(C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000826395358 609571172 /nfs/dbraw/zinc/57/11/72/609571172.db2.gz XWPDLCSOSYVZND-SECBINFHSA-N -1 3 377.430 -0.063 20 0 GBADHM NS(=O)(=O)c1ccc(NC[C@@H]2CC(=O)N(C3CC3)C2)c(-c2nn[n-]n2)c1 ZINC000826395359 609572203 /nfs/dbraw/zinc/57/22/03/609572203.db2.gz XWPDLCSOSYVZND-VIFPVBQESA-N -1 3 377.430 -0.063 20 0 GBADHM NS(=O)(=O)c1ccc(NC[C@@H]2CC(=O)N(C3CC3)C2)c(-c2nnn[n-]2)c1 ZINC000826395359 609572201 /nfs/dbraw/zinc/57/22/01/609572201.db2.gz XWPDLCSOSYVZND-VIFPVBQESA-N -1 3 377.430 -0.063 20 0 GBADHM NS(=O)(=O)c1cccc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826395400 608219536 /nfs/dbraw/zinc/21/95/36/608219536.db2.gz ZRSPJTKAPQFARV-UHFFFAOYSA-N -1 3 388.413 -0.363 20 0 GBADHM NS(=O)(=O)c1cccc(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826395400 608219534 /nfs/dbraw/zinc/21/95/34/608219534.db2.gz ZRSPJTKAPQFARV-UHFFFAOYSA-N -1 3 388.413 -0.363 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)c1cncc(N2CCOCC2)c1 ZINC000826395448 607944868 /nfs/dbraw/zinc/94/48/68/607944868.db2.gz BVHJGAYATHMRDQ-UHFFFAOYSA-N -1 3 385.388 -0.266 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)c1cncc(N2CCOCC2)c1 ZINC000826395448 607944867 /nfs/dbraw/zinc/94/48/67/607944867.db2.gz BVHJGAYATHMRDQ-UHFFFAOYSA-N -1 3 385.388 -0.266 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826395895 608318949 /nfs/dbraw/zinc/31/89/49/608318949.db2.gz XKFRMCCRGZQTSY-LLVKDONJSA-N -1 3 397.399 -0.368 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826395895 608318947 /nfs/dbraw/zinc/31/89/47/608318947.db2.gz XKFRMCCRGZQTSY-LLVKDONJSA-N -1 3 397.399 -0.368 20 0 GBADHM Nc1c(-c2nn[n-]n2)cnn1CCOC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826395896 608318739 /nfs/dbraw/zinc/31/87/39/608318739.db2.gz XKFRMCCRGZQTSY-NSHDSACASA-N -1 3 397.399 -0.368 20 0 GBADHM Nc1c(-c2nnn[n-]2)cnn1CCOC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000826395896 608318737 /nfs/dbraw/zinc/31/87/37/608318737.db2.gz XKFRMCCRGZQTSY-NSHDSACASA-N -1 3 397.399 -0.368 20 0 GBADHM Nc1nc(N)nc(SCCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826396340 607814841 /nfs/dbraw/zinc/81/48/41/607814841.db2.gz SQMBGQUXKZAEDV-UHFFFAOYSA-N -1 3 379.431 -0.218 20 0 GBADHM Nc1nc(N)nc(SCCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826396340 607814840 /nfs/dbraw/zinc/81/48/40/607814840.db2.gz SQMBGQUXKZAEDV-UHFFFAOYSA-N -1 3 379.431 -0.218 20 0 GBADHM O=C(C(=O)N1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1)N1CCOCC1 ZINC000826396592 608508109 /nfs/dbraw/zinc/50/81/09/608508109.db2.gz DTOSIGDPWOIPRI-UHFFFAOYSA-N -1 3 391.457 -0.569 20 0 GBADHM O=C(C(=O)N1CCN(c2nc3ccccn3c2-c2nn[n-]n2)CC1)N1CCCC1 ZINC000826396665 609461929 /nfs/dbraw/zinc/46/19/29/609461929.db2.gz HFABAAUOOZTZJR-UHFFFAOYSA-N -1 3 395.427 -0.215 20 0 GBADHM O=C(C(=O)N1CCN(c2nc3ccccn3c2-c2nnn[n-]2)CC1)N1CCCC1 ZINC000826396665 609461927 /nfs/dbraw/zinc/46/19/27/609461927.db2.gz HFABAAUOOZTZJR-UHFFFAOYSA-N -1 3 395.427 -0.215 20 0 GBADHM O=C(C(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC000826396763 609599021 /nfs/dbraw/zinc/59/90/21/609599021.db2.gz KEXBELWXZJFFFH-UHFFFAOYSA-N -1 3 389.391 -0.487 20 0 GBADHM 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375.385 -0.062 20 0 GBADHM O=C(NC[C@H]1COC2(CCOCC2)O1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435757 609261772 /nfs/dbraw/zinc/26/17/72/609261772.db2.gz WZFWMNVZZQZWHH-KBPBESRZSA-N -1 3 375.385 -0.062 20 0 GBADHM O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435758 609261375 /nfs/dbraw/zinc/26/13/75/609261375.db2.gz WZFWMNVZZQZWHH-KGLIPLIRSA-N -1 3 375.385 -0.062 20 0 GBADHM O=C(NC[C@@H]1COC2(CCOCC2)O1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435758 609261374 /nfs/dbraw/zinc/26/13/74/609261374.db2.gz WZFWMNVZZQZWHH-KGLIPLIRSA-N -1 3 375.385 -0.062 20 0 GBADHM O=C(NC[C@H]1COC2(CCOCC2)O1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826435759 609261578 /nfs/dbraw/zinc/26/15/78/609261578.db2.gz WZFWMNVZZQZWHH-UONOGXRCSA-N -1 3 375.385 -0.062 20 0 GBADHM O=C(NC[C@H]1COC2(CCOCC2)O1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826435759 609261576 /nfs/dbraw/zinc/26/15/76/609261576.db2.gz WZFWMNVZZQZWHH-UONOGXRCSA-N -1 3 375.385 -0.062 20 0 GBADHM 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608142338 /nfs/dbraw/zinc/14/23/38/608142338.db2.gz YXUUWDXIAFAJPQ-LBPRGKRZSA-N -1 3 378.414 -0.111 20 0 GBADHM O=C(NCCCN1CCCS1(=O)=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436636 609220388 /nfs/dbraw/zinc/22/03/88/609220388.db2.gz BZKWHZWKOILSGJ-CYBMUJFWSA-N -1 3 380.430 -0.558 20 0 GBADHM O=C(NCCCN1CCCS1(=O)=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436636 609220386 /nfs/dbraw/zinc/22/03/86/609220386.db2.gz BZKWHZWKOILSGJ-CYBMUJFWSA-N -1 3 380.430 -0.558 20 0 GBADHM O=C(NCCCN1CCCS1(=O)=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436637 609220166 /nfs/dbraw/zinc/22/01/66/609220166.db2.gz BZKWHZWKOILSGJ-ZDUSSCGKSA-N -1 3 380.430 -0.558 20 0 GBADHM O=C(NCCCN1CCCS1(=O)=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436637 609220165 /nfs/dbraw/zinc/22/01/65/609220165.db2.gz BZKWHZWKOILSGJ-ZDUSSCGKSA-N -1 3 380.430 -0.558 20 0 GBADHM O=C(NCCCOCCO)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826436896 609181461 /nfs/dbraw/zinc/18/14/61/609181461.db2.gz NMHYSVMWTGXEOA-UHFFFAOYSA-N -1 3 390.448 -0.071 20 0 GBADHM O=C(NCCCOCCO)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826436896 609181459 /nfs/dbraw/zinc/18/14/59/609181459.db2.gz NMHYSVMWTGXEOA-UHFFFAOYSA-N -1 3 390.448 -0.071 20 0 GBADHM O=C(NCCCO)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826437133 608566297 /nfs/dbraw/zinc/56/62/97/608566297.db2.gz XPBCHJPXTOUMEI-UHFFFAOYSA-N -1 3 394.457 -0.234 20 0 GBADHM O=C(NCCCO)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826437133 608566296 /nfs/dbraw/zinc/56/62/96/608566296.db2.gz XPBCHJPXTOUMEI-UHFFFAOYSA-N -1 3 394.457 -0.234 20 0 GBADHM O=C(NCCCn1ccnn1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000826437218 608130885 /nfs/dbraw/zinc/13/08/85/608130885.db2.gz AZUKZTFLPNCIGG-UHFFFAOYSA-N -1 3 383.420 -0.225 20 0 GBADHM O=C(NCCCn1ccnn1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000826437218 608130884 /nfs/dbraw/zinc/13/08/84/608130884.db2.gz AZUKZTFLPNCIGG-UHFFFAOYSA-N -1 3 383.420 -0.225 20 0 GBADHM O=C(NCCNC(=O)c1ccn[nH]1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826437231 609641158 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GBADHM O=C(NCCCn1ccnn1)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826437337 608129781 /nfs/dbraw/zinc/12/97/81/608129781.db2.gz HIEPXWDZMMTDAK-UHFFFAOYSA-N -1 3 383.420 -0.225 20 0 GBADHM O=C(NCCN1CCC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826437404 609369402 /nfs/dbraw/zinc/36/94/02/609369402.db2.gz KBTCWFULDRYUOI-UHFFFAOYSA-N -1 3 399.390 -0.048 20 0 GBADHM O=C(NCCN1CCC1)C(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826437404 609369400 /nfs/dbraw/zinc/36/94/00/609369400.db2.gz KBTCWFULDRYUOI-UHFFFAOYSA-N -1 3 399.390 -0.048 20 0 GBADHM O=C(NCCCn1ccnn1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000826437453 608130042 /nfs/dbraw/zinc/13/00/42/608130042.db2.gz MKRKSMRMZOPIQM-UHFFFAOYSA-N -1 3 383.420 -0.225 20 0 GBADHM O=C(NCCCn1ccnn1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000826437453 608130041 /nfs/dbraw/zinc/13/00/41/608130041.db2.gz MKRKSMRMZOPIQM-UHFFFAOYSA-N -1 3 383.420 -0.225 20 0 GBADHM O=C(NCCNC(=O)c1ccn[nH]1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000826437512 609620889 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ZINC000826437811 608167258 /nfs/dbraw/zinc/16/72/58/608167258.db2.gz CFOQMCCPHNJEDK-NSHDSACASA-N -1 3 387.404 -0.090 20 0 GBADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826437811 608167256 /nfs/dbraw/zinc/16/72/56/608167256.db2.gz CFOQMCCPHNJEDK-NSHDSACASA-N -1 3 387.404 -0.090 20 0 GBADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@H]1CCCCS1(=O)=O ZINC000826437812 948293305 /nfs/dbraw/zinc/29/33/05/948293305.db2.gz CGXDQLLWYWVYNM-GFCCVEGCSA-N -1 3 394.461 -0.060 20 0 GBADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@H]1CCCCS1(=O)=O ZINC000826437812 948293297 /nfs/dbraw/zinc/29/32/97/948293297.db2.gz CGXDQLLWYWVYNM-GFCCVEGCSA-N -1 3 394.461 -0.060 20 0 GBADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@@H]1CCCCS1(=O)=O ZINC000826437813 948293817 /nfs/dbraw/zinc/29/38/17/948293817.db2.gz CGXDQLLWYWVYNM-LBPRGKRZSA-N -1 3 394.461 -0.060 20 0 GBADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@@H]1CCCCS1(=O)=O ZINC000826437813 948293812 /nfs/dbraw/zinc/29/38/12/948293812.db2.gz CGXDQLLWYWVYNM-LBPRGKRZSA-N -1 3 394.461 -0.060 20 0 GBADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826437835 609181473 /nfs/dbraw/zinc/18/14/73/609181473.db2.gz CPVGCVJQQSMVRT-LLVKDONJSA-N -1 3 385.432 -0.016 20 0 GBADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826437835 609181471 /nfs/dbraw/zinc/18/14/71/609181471.db2.gz CPVGCVJQQSMVRT-LLVKDONJSA-N -1 3 385.432 -0.016 20 0 GBADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826437836 609181298 /nfs/dbraw/zinc/18/12/98/609181298.db2.gz CPVGCVJQQSMVRT-NSHDSACASA-N -1 3 385.432 -0.016 20 0 GBADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826437836 609181297 /nfs/dbraw/zinc/18/12/97/609181297.db2.gz CPVGCVJQQSMVRT-NSHDSACASA-N -1 3 385.432 -0.016 20 0 GBADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@H](CO)C1CCOCC1 ZINC000826437913 948292838 /nfs/dbraw/zinc/29/28/38/948292838.db2.gz HCPNOKYUPIKUDC-CYBMUJFWSA-N -1 3 376.421 -0.240 20 0 GBADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@H](CO)C1CCOCC1 ZINC000826437913 948292829 /nfs/dbraw/zinc/29/28/29/948292829.db2.gz HCPNOKYUPIKUDC-CYBMUJFWSA-N -1 3 376.421 -0.240 20 0 GBADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N[C@@H](CO)C1CCOCC1 ZINC000826437914 948293979 /nfs/dbraw/zinc/29/39/79/948293979.db2.gz HCPNOKYUPIKUDC-ZDUSSCGKSA-N -1 3 376.421 -0.240 20 0 GBADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N[C@@H](CO)C1CCOCC1 ZINC000826437914 948293972 /nfs/dbraw/zinc/29/39/72/948293972.db2.gz HCPNOKYUPIKUDC-ZDUSSCGKSA-N -1 3 376.421 -0.240 20 0 GBADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826437938 948293796 /nfs/dbraw/zinc/29/37/96/948293796.db2.gz HWOZXOWPAOMKIN-GFCCVEGCSA-N -1 3 387.404 -0.090 20 0 GBADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826437938 948293790 /nfs/dbraw/zinc/29/37/90/948293790.db2.gz HWOZXOWPAOMKIN-GFCCVEGCSA-N -1 3 387.404 -0.090 20 0 GBADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826437939 948294368 /nfs/dbraw/zinc/29/43/68/948294368.db2.gz HWOZXOWPAOMKIN-LBPRGKRZSA-N -1 3 387.404 -0.090 20 0 GBADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826437939 948294361 /nfs/dbraw/zinc/29/43/61/948294361.db2.gz HWOZXOWPAOMKIN-LBPRGKRZSA-N -1 3 387.404 -0.090 20 0 GBADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCCS(=O)(=O)CC1 ZINC000826438008 608492066 /nfs/dbraw/zinc/49/20/66/608492066.db2.gz JIJJGBAPRGFYKO-UHFFFAOYSA-N -1 3 380.434 -0.496 20 0 GBADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCCS(=O)(=O)CC1 ZINC000826438008 608492064 /nfs/dbraw/zinc/49/20/64/608492064.db2.gz JIJJGBAPRGFYKO-UHFFFAOYSA-N -1 3 380.434 -0.496 20 0 GBADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCC1(CO)CCOCC1 ZINC000826438021 607454348 /nfs/dbraw/zinc/45/43/48/607454348.db2.gz JSNFGGZTARTSNW-UHFFFAOYSA-N -1 3 376.421 -0.238 20 0 GBADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCC1(CO)CCOCC1 ZINC000826438021 607454346 /nfs/dbraw/zinc/45/43/46/607454346.db2.gz JSNFGGZTARTSNW-UHFFFAOYSA-N -1 3 376.421 -0.238 20 0 GBADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NCC1CCS(=O)(=O)CC1 ZINC000826438054 607913099 /nfs/dbraw/zinc/91/30/99/607913099.db2.gz LARMMAIRNDOAPX-UHFFFAOYSA-N -1 3 394.461 -0.202 20 0 GBADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NCC1CCS(=O)(=O)CC1 ZINC000826438054 607913098 /nfs/dbraw/zinc/91/30/98/607913098.db2.gz LARMMAIRNDOAPX-UHFFFAOYSA-N -1 3 394.461 -0.202 20 0 GBADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N1CCC(OCCO)CC1 ZINC000826438075 607957660 /nfs/dbraw/zinc/95/76/60/607957660.db2.gz LWDVWSXTAYEJFX-UHFFFAOYSA-N -1 3 376.421 -0.144 20 0 GBADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N1CCC(OCCO)CC1 ZINC000826438075 607957659 /nfs/dbraw/zinc/95/76/59/607957659.db2.gz LWDVWSXTAYEJFX-UHFFFAOYSA-N -1 3 376.421 -0.144 20 0 GBADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826438081 609181090 /nfs/dbraw/zinc/18/10/90/609181090.db2.gz MKIVIOFMQCPVAH-LLVKDONJSA-N -1 3 385.432 -0.016 20 0 GBADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000826438081 609181088 /nfs/dbraw/zinc/18/10/88/609181088.db2.gz MKIVIOFMQCPVAH-LLVKDONJSA-N -1 3 385.432 -0.016 20 0 GBADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826438082 609181501 /nfs/dbraw/zinc/18/15/01/609181501.db2.gz MKIVIOFMQCPVAH-NSHDSACASA-N -1 3 385.432 -0.016 20 0 GBADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826438082 609181498 /nfs/dbraw/zinc/18/14/98/609181498.db2.gz MKIVIOFMQCPVAH-NSHDSACASA-N -1 3 385.432 -0.016 20 0 GBADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@H](CO)C1CCOCC1 ZINC000826438094 948292724 /nfs/dbraw/zinc/29/27/24/948292724.db2.gz MWJSZZPABOOPSN-CYBMUJFWSA-N -1 3 376.421 -0.240 20 0 GBADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@H](CO)C1CCOCC1 ZINC000826438094 948292719 /nfs/dbraw/zinc/29/27/19/948292719.db2.gz MWJSZZPABOOPSN-CYBMUJFWSA-N -1 3 376.421 -0.240 20 0 GBADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)N[C@@H](CO)C1CCOCC1 ZINC000826438095 948294344 /nfs/dbraw/zinc/29/43/44/948294344.db2.gz MWJSZZPABOOPSN-ZDUSSCGKSA-N -1 3 376.421 -0.240 20 0 GBADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)N[C@@H](CO)C1CCOCC1 ZINC000826438095 948294338 /nfs/dbraw/zinc/29/43/38/948294338.db2.gz MWJSZZPABOOPSN-ZDUSSCGKSA-N -1 3 376.421 -0.240 20 0 GBADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCC1CCS(=O)(=O)CC1 ZINC000826438183 948292767 /nfs/dbraw/zinc/29/27/67/948292767.db2.gz QSVHYCOUHOLXEL-UHFFFAOYSA-N -1 3 394.461 -0.202 20 0 GBADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCC1CCS(=O)(=O)CC1 ZINC000826438183 948292759 /nfs/dbraw/zinc/29/27/59/948292759.db2.gz QSVHYCOUHOLXEL-UHFFFAOYSA-N -1 3 394.461 -0.202 20 0 GBADHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NCC1(CO)CCOCC1 ZINC000826438297 607452608 /nfs/dbraw/zinc/45/26/08/607452608.db2.gz WYFHXCVUZYURFK-UHFFFAOYSA-N -1 3 376.421 -0.238 20 0 GBADHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NCC1(CO)CCOCC1 ZINC000826438297 607452606 /nfs/dbraw/zinc/45/26/06/607452606.db2.gz WYFHXCVUZYURFK-UHFFFAOYSA-N -1 3 376.421 -0.238 20 0 GBADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NC[C@H]1CCCCS1(=O)=O ZINC000826438329 608126217 /nfs/dbraw/zinc/12/62/17/608126217.db2.gz YIGMJMCXKATILZ-LLVKDONJSA-N -1 3 394.461 -0.060 20 0 GBADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@H]1CCCCS1(=O)=O ZINC000826438329 608126216 /nfs/dbraw/zinc/12/62/16/608126216.db2.gz YIGMJMCXKATILZ-LLVKDONJSA-N -1 3 394.461 -0.060 20 0 GBADHM O=C(NCCNc1ncccc1-c1nn[n-]n1)NC[C@@H]1CCCCS1(=O)=O ZINC000826438330 608126105 /nfs/dbraw/zinc/12/61/05/608126105.db2.gz YIGMJMCXKATILZ-NSHDSACASA-N -1 3 394.461 -0.060 20 0 GBADHM O=C(NCCNc1ncccc1-c1nnn[n-]1)NC[C@@H]1CCCCS1(=O)=O ZINC000826438330 608126104 /nfs/dbraw/zinc/12/61/04/608126104.db2.gz YIGMJMCXKATILZ-NSHDSACASA-N -1 3 394.461 -0.060 20 0 GBADHM O=C(NCCO)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826438444 608566478 /nfs/dbraw/zinc/56/64/78/608566478.db2.gz CNXCWTJWRBCRMS-UHFFFAOYSA-N -1 3 398.420 -0.485 20 0 GBADHM O=C(NCCO)C1CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826438576 608566236 /nfs/dbraw/zinc/56/62/36/608566236.db2.gz IUEHAQYWFFHHHZ-UHFFFAOYSA-N -1 3 380.430 -0.624 20 0 GBADHM O=C(NCCO)C1CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826438576 608566234 /nfs/dbraw/zinc/56/62/34/608566234.db2.gz IUEHAQYWFFHHHZ-UHFFFAOYSA-N -1 3 380.430 -0.624 20 0 GBADHM O=C(NCCO)C(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826438616 948296566 /nfs/dbraw/zinc/29/65/66/948296566.db2.gz KCJRLGOCAVNVEG-UHFFFAOYSA-N -1 3 376.764 -0.247 20 0 GBADHM O=C(NCCO)c1ccc(N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC000826438876 948295278 /nfs/dbraw/zinc/29/52/78/948295278.db2.gz UMHXPNWLFGGJBM-HNNXBMFYSA-N -1 3 396.411 -0.043 20 0 GBADHM O=C(NCCO)c1ccc(N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC000826438876 948295269 /nfs/dbraw/zinc/29/52/69/948295269.db2.gz UMHXPNWLFGGJBM-HNNXBMFYSA-N -1 3 396.411 -0.043 20 0 GBADHM O=C(NCCO)c1ccc(N2CCO[C@@H](c3cccc(-c4nn[n-]n4)c3)C2)nn1 ZINC000826438877 948296429 /nfs/dbraw/zinc/29/64/29/948296429.db2.gz UMHXPNWLFGGJBM-OAHLLOKOSA-N -1 3 396.411 -0.043 20 0 GBADHM O=C(NCCO)c1ccc(N2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)nn1 ZINC000826438877 948296422 /nfs/dbraw/zinc/29/64/22/948296422.db2.gz UMHXPNWLFGGJBM-OAHLLOKOSA-N -1 3 396.411 -0.043 20 0 GBADHM O=C(CNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)N1CCOCC1 ZINC000826438892 948296073 /nfs/dbraw/zinc/29/60/73/948296073.db2.gz VJXBYTUXRHOETM-UHFFFAOYSA-N -1 3 375.389 -0.597 20 0 GBADHM O=C(NCCO)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826438910 948295609 /nfs/dbraw/zinc/29/56/09/948295609.db2.gz WETIOXZHDIWCLI-UHFFFAOYSA-N -1 3 376.764 -0.247 20 0 GBADHM O=C(NCCO)C(=O)Nc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826438910 948295603 /nfs/dbraw/zinc/29/56/03/948295603.db2.gz WETIOXZHDIWCLI-UHFFFAOYSA-N -1 3 376.764 -0.247 20 0 GBADHM O=C(NCCO)C1CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826438925 608566291 /nfs/dbraw/zinc/56/62/91/608566291.db2.gz WQKCTBZHPGEVLB-UHFFFAOYSA-N -1 3 394.457 -0.483 20 0 GBADHM O=C(NCCO)C1CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826438925 608566289 /nfs/dbraw/zinc/56/62/89/608566289.db2.gz WQKCTBZHPGEVLB-UHFFFAOYSA-N -1 3 394.457 -0.483 20 0 GBADHM O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826439294 609211653 /nfs/dbraw/zinc/21/16/53/609211653.db2.gz NRCBFQOXLNERIL-LLVKDONJSA-N -1 3 383.434 -0.587 20 0 GBADHM O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826439294 609211652 /nfs/dbraw/zinc/21/16/52/609211652.db2.gz NRCBFQOXLNERIL-LLVKDONJSA-N -1 3 383.434 -0.587 20 0 GBADHM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826439295 609211734 /nfs/dbraw/zinc/21/17/34/609211734.db2.gz NRCBFQOXLNERIL-NSHDSACASA-N -1 3 383.434 -0.587 20 0 GBADHM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826439295 609211733 /nfs/dbraw/zinc/21/17/33/609211733.db2.gz NRCBFQOXLNERIL-NSHDSACASA-N -1 3 383.434 -0.587 20 0 GBADHM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826439388 607736869 /nfs/dbraw/zinc/73/68/69/607736869.db2.gz SBKRLEJOGPESSM-JTQLQIEISA-N -1 3 383.434 -0.587 20 0 GBADHM O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826439388 607736868 /nfs/dbraw/zinc/73/68/68/607736868.db2.gz SBKRLEJOGPESSM-JTQLQIEISA-N -1 3 383.434 -0.587 20 0 GBADHM O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826439389 607736912 /nfs/dbraw/zinc/73/69/12/607736912.db2.gz SBKRLEJOGPESSM-SNVBAGLBSA-N -1 3 383.434 -0.587 20 0 GBADHM O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826439389 607736911 /nfs/dbraw/zinc/73/69/11/607736911.db2.gz SBKRLEJOGPESSM-SNVBAGLBSA-N -1 3 383.434 -0.587 20 0 GBADHM O=C(NCCS(=O)(=O)NCC1CCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439396 609228083 /nfs/dbraw/zinc/22/80/83/609228083.db2.gz SMCALETWCMNDRR-AWEZNQCLSA-N -1 3 394.457 -0.264 20 0 GBADHM O=C(NCCS(=O)(=O)NCC1CCC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439396 609228081 /nfs/dbraw/zinc/22/80/81/609228081.db2.gz SMCALETWCMNDRR-AWEZNQCLSA-N -1 3 394.457 -0.264 20 0 GBADHM O=C(NCCS(=O)(=O)NCC1CCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826439397 609227781 /nfs/dbraw/zinc/22/77/81/609227781.db2.gz SMCALETWCMNDRR-CQSZACIVSA-N -1 3 394.457 -0.264 20 0 GBADHM O=C(NCCS(=O)(=O)NCC1CCC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826439397 609227780 /nfs/dbraw/zinc/22/77/80/609227780.db2.gz SMCALETWCMNDRR-CQSZACIVSA-N -1 3 394.457 -0.264 20 0 GBADHM O=C(NCCn1ncnn1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826440183 608361784 /nfs/dbraw/zinc/36/17/84/608361784.db2.gz CDVPVIDJCZRVCU-UHFFFAOYSA-N -1 3 396.293 -0.373 20 0 GBADHM O=C(NCCn1ncnn1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826440183 608361783 /nfs/dbraw/zinc/36/17/83/608361783.db2.gz CDVPVIDJCZRVCU-UHFFFAOYSA-N -1 3 396.293 -0.373 20 0 GBADHM O=C(NCc1cc(-c2nn[n-]n2)ccc1F)N(CCO)CCN1CCOCC1 ZINC000826440370 608168160 /nfs/dbraw/zinc/16/81/60/608168160.db2.gz KNGCTBDRTOARGK-UHFFFAOYSA-N -1 3 393.423 -0.158 20 0 GBADHM O=C(NCc1cc(-c2nnn[n-]2)ccc1F)N(CCO)CCN1CCOCC1 ZINC000826440370 608168159 /nfs/dbraw/zinc/16/81/59/608168159.db2.gz KNGCTBDRTOARGK-UHFFFAOYSA-N -1 3 393.423 -0.158 20 0 GBADHM O=C(NCCn1ncnn1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826440693 609358842 /nfs/dbraw/zinc/35/88/42/609358842.db2.gz XECUFVLGDMCKHF-UHFFFAOYSA-N -1 3 384.339 0.000 20 0 GBADHM O=C(NCCn1cncn1)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826440737 609603730 /nfs/dbraw/zinc/60/37/30/609603730.db2.gz YRSBFQUPVQSUMR-AWEZNQCLSA-N -1 3 396.415 -0.047 20 0 GBADHM O=C(NCCn1cncn1)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826440737 609603728 /nfs/dbraw/zinc/60/37/28/609603728.db2.gz YRSBFQUPVQSUMR-AWEZNQCLSA-N -1 3 396.415 -0.047 20 0 GBADHM O=C(NCCn1cncn1)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826440738 609603542 /nfs/dbraw/zinc/60/35/42/609603542.db2.gz YRSBFQUPVQSUMR-CQSZACIVSA-N -1 3 396.415 -0.047 20 0 GBADHM O=C(NCCn1cncn1)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826440738 609603539 /nfs/dbraw/zinc/60/35/39/609603539.db2.gz YRSBFQUPVQSUMR-CQSZACIVSA-N -1 3 396.415 -0.047 20 0 GBADHM O=C(NCCn1ncnn1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826440745 608361968 /nfs/dbraw/zinc/36/19/68/608361968.db2.gz YXIOCUISSBXULQ-UHFFFAOYSA-N -1 3 394.302 -0.791 20 0 GBADHM O=C(NCCn1ncnn1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC000826440745 608361966 /nfs/dbraw/zinc/36/19/66/608361966.db2.gz YXIOCUISSBXULQ-UHFFFAOYSA-N -1 3 394.302 -0.791 20 0 GBADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1)N(CCO)CCN1CCOCC1 ZINC000826440846 608165145 /nfs/dbraw/zinc/16/51/45/608165145.db2.gz CRHIEVWHDBXRPH-UHFFFAOYSA-N -1 3 375.433 -0.297 20 0 GBADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1)N(CCO)CCN1CCOCC1 ZINC000826440846 608165143 /nfs/dbraw/zinc/16/51/43/608165143.db2.gz CRHIEVWHDBXRPH-UHFFFAOYSA-N -1 3 375.433 -0.297 20 0 GBADHM O=C(NCc1ccc(-c2nn[n-]n2)cc1F)N(CCO)CCN1CCOCC1 ZINC000826441821 608168204 /nfs/dbraw/zinc/16/82/04/608168204.db2.gz WYXINAKSPHSLLO-UHFFFAOYSA-N -1 3 393.423 -0.158 20 0 GBADHM O=C(NCc1ccc(-c2nnn[n-]2)cc1F)N(CCO)CCN1CCOCC1 ZINC000826441821 608168203 /nfs/dbraw/zinc/16/82/03/608168203.db2.gz WYXINAKSPHSLLO-UHFFFAOYSA-N -1 3 393.423 -0.158 20 0 GBADHM O=C(NCc1cccc(-c2nn[n-]n2)c1)N(CCO)CCN1CCOCC1 ZINC000826442386 608165452 /nfs/dbraw/zinc/16/54/52/608165452.db2.gz SVYQWADWJHKPDU-UHFFFAOYSA-N -1 3 375.433 -0.297 20 0 GBADHM O=C(NCc1cccc(-c2nnn[n-]2)c1)N(CCO)CCN1CCOCC1 ZINC000826442386 608165451 /nfs/dbraw/zinc/16/54/51/608165451.db2.gz SVYQWADWJHKPDU-UHFFFAOYSA-N -1 3 375.433 -0.297 20 0 GBADHM O=C(CO)N1CCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC000826451199 948318509 /nfs/dbraw/zinc/31/85/09/948318509.db2.gz VJRYSRFNTIMKRY-UHFFFAOYSA-N -1 3 393.791 -0.878 20 0 GBADHM O=C(CO)N1CCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC000826451199 948318500 /nfs/dbraw/zinc/31/85/00/948318500.db2.gz VJRYSRFNTIMKRY-UHFFFAOYSA-N -1 3 393.791 -0.878 20 0 GBADHM O=C(CO)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000826452243 948319616 /nfs/dbraw/zinc/31/96/16/948319616.db2.gz MCVSHZKZLVELOD-UHFFFAOYSA-N -1 3 393.791 -0.878 20 0 GBADHM O=C(CO)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000826452243 948319608 /nfs/dbraw/zinc/31/96/08/948319608.db2.gz MCVSHZKZLVELOD-UHFFFAOYSA-N -1 3 393.791 -0.878 20 0 GBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826452606 608360432 /nfs/dbraw/zinc/36/04/32/608360432.db2.gz ZGJYEUUQJAGNQT-CABCVRRESA-N -1 3 385.428 -0.137 20 0 GBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826452607 608360032 /nfs/dbraw/zinc/36/00/32/608360032.db2.gz ZGJYEUUQJAGNQT-GJZGRUSLSA-N -1 3 385.428 -0.137 20 0 GBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826452608 608360157 /nfs/dbraw/zinc/36/01/57/608360157.db2.gz ZGJYEUUQJAGNQT-HUUCEWRRSA-N -1 3 385.428 -0.137 20 0 GBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000826452609 608360220 /nfs/dbraw/zinc/36/02/20/608360220.db2.gz ZGJYEUUQJAGNQT-LSDHHAIUSA-N -1 3 385.428 -0.137 20 0 GBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCC(OCCO)CC1 ZINC000826452763 607945097 /nfs/dbraw/zinc/94/50/97/607945097.db2.gz HIALZIRGAGZZLR-UHFFFAOYSA-N -1 3 378.364 -0.056 20 0 GBADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCC(OCCO)CC1 ZINC000826452763 607945096 /nfs/dbraw/zinc/94/50/96/607945096.db2.gz HIALZIRGAGZZLR-UHFFFAOYSA-N -1 3 378.364 -0.056 20 0 GBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826452838 948323091 /nfs/dbraw/zinc/32/30/91/948323091.db2.gz LEAMWPKZAMYOMZ-CYBMUJFWSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826452838 948323083 /nfs/dbraw/zinc/32/30/83/948323083.db2.gz LEAMWPKZAMYOMZ-CYBMUJFWSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826452839 948322293 /nfs/dbraw/zinc/32/22/93/948322293.db2.gz LEAMWPKZAMYOMZ-ZDUSSCGKSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826452839 948322283 /nfs/dbraw/zinc/32/22/83/948322283.db2.gz LEAMWPKZAMYOMZ-ZDUSSCGKSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(CO)N1CCN(C(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000826452964 948322325 /nfs/dbraw/zinc/32/23/25/948322325.db2.gz PLNYDOVEAULAMA-UHFFFAOYSA-N -1 3 393.791 -0.878 20 0 GBADHM O=C(CO)N1CCN(C(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000826452964 948322317 /nfs/dbraw/zinc/32/23/17/948322317.db2.gz PLNYDOVEAULAMA-UHFFFAOYSA-N -1 3 393.791 -0.878 20 0 GBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826453085 608118802 /nfs/dbraw/zinc/11/88/02/608118802.db2.gz VGJYZPUNMREGIC-JTQLQIEISA-N -1 3 389.347 -0.003 20 0 GBADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826453085 608118801 /nfs/dbraw/zinc/11/88/01/608118801.db2.gz VGJYZPUNMREGIC-JTQLQIEISA-N -1 3 389.347 -0.003 20 0 GBADHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826453086 608118672 /nfs/dbraw/zinc/11/86/72/608118672.db2.gz VGJYZPUNMREGIC-SNVBAGLBSA-N -1 3 389.347 -0.003 20 0 GBADHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826453086 608118671 /nfs/dbraw/zinc/11/86/71/608118671.db2.gz VGJYZPUNMREGIC-SNVBAGLBSA-N -1 3 389.347 -0.003 20 0 GBADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826453205 948321675 /nfs/dbraw/zinc/32/16/75/948321675.db2.gz ATMHJUWVSWXQOW-CYBMUJFWSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826453205 948321670 /nfs/dbraw/zinc/32/16/70/948321670.db2.gz ATMHJUWVSWXQOW-CYBMUJFWSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826453206 948322813 /nfs/dbraw/zinc/32/28/13/948322813.db2.gz ATMHJUWVSWXQOW-ZDUSSCGKSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826453206 948322803 /nfs/dbraw/zinc/32/28/03/948322803.db2.gz ATMHJUWVSWXQOW-ZDUSSCGKSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(CO)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC000826453327 948321442 /nfs/dbraw/zinc/32/14/42/948321442.db2.gz HBNJJOZQSWEINN-UHFFFAOYSA-N -1 3 393.791 -0.878 20 0 GBADHM O=C(CO)N1CCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC000826453327 948321432 /nfs/dbraw/zinc/32/14/32/948321432.db2.gz HBNJJOZQSWEINN-UHFFFAOYSA-N -1 3 393.791 -0.878 20 0 GBADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826453403 608117685 /nfs/dbraw/zinc/11/76/85/608117685.db2.gz JRIBURUCHRUTHN-JTQLQIEISA-N -1 3 389.347 -0.003 20 0 GBADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826453403 608117684 /nfs/dbraw/zinc/11/76/84/608117684.db2.gz JRIBURUCHRUTHN-JTQLQIEISA-N -1 3 389.347 -0.003 20 0 GBADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826453404 608117907 /nfs/dbraw/zinc/11/79/07/608117907.db2.gz JRIBURUCHRUTHN-SNVBAGLBSA-N -1 3 389.347 -0.003 20 0 GBADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826453404 608117906 /nfs/dbraw/zinc/11/79/06/608117906.db2.gz JRIBURUCHRUTHN-SNVBAGLBSA-N -1 3 389.347 -0.003 20 0 GBADHM O=C(Nc1ccc(Cl)c(-c2nn[n-]n2)c1)C(=O)N1CCN(CCO)CC1 ZINC000826453473 608551675 /nfs/dbraw/zinc/55/16/75/608551675.db2.gz MAZSEJYIYOLOSC-UHFFFAOYSA-N -1 3 379.808 -0.405 20 0 GBADHM O=C(Nc1ccc(Cl)c(-c2nnn[n-]2)c1)C(=O)N1CCN(CCO)CC1 ZINC000826453473 608551674 /nfs/dbraw/zinc/55/16/74/608551674.db2.gz MAZSEJYIYOLOSC-UHFFFAOYSA-N -1 3 379.808 -0.405 20 0 GBADHM O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)C(=O)N1CCC(OCCO)CC1 ZINC000826453618 607945149 /nfs/dbraw/zinc/94/51/49/607945149.db2.gz RQZHPOJVLWFDCW-UHFFFAOYSA-N -1 3 378.364 -0.056 20 0 GBADHM O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)C(=O)N1CCC(OCCO)CC1 ZINC000826453618 607945148 /nfs/dbraw/zinc/94/51/48/607945148.db2.gz RQZHPOJVLWFDCW-UHFFFAOYSA-N -1 3 378.364 -0.056 20 0 GBADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826453857 948325376 /nfs/dbraw/zinc/32/53/76/948325376.db2.gz BNBZAXHKFYVFKS-CYBMUJFWSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@H](CO)C1CCOCC1 ZINC000826453857 948325366 /nfs/dbraw/zinc/32/53/66/948325366.db2.gz BNBZAXHKFYVFKS-CYBMUJFWSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826453858 948324292 /nfs/dbraw/zinc/32/42/92/948324292.db2.gz BNBZAXHKFYVFKS-ZDUSSCGKSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N[C@@H](CO)C1CCOCC1 ZINC000826453858 948324286 /nfs/dbraw/zinc/32/42/86/948324286.db2.gz BNBZAXHKFYVFKS-ZDUSSCGKSA-N -1 3 378.364 -0.152 20 0 GBADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826453973 608117667 /nfs/dbraw/zinc/11/76/67/608117667.db2.gz GBXTWEJFPVUDRC-JTQLQIEISA-N -1 3 389.347 -0.003 20 0 GBADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCN2C(=O)OCC[C@H]2C1 ZINC000826453973 608117666 /nfs/dbraw/zinc/11/76/66/608117666.db2.gz GBXTWEJFPVUDRC-JTQLQIEISA-N -1 3 389.347 -0.003 20 0 GBADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826453974 608117862 /nfs/dbraw/zinc/11/78/62/608117862.db2.gz GBXTWEJFPVUDRC-SNVBAGLBSA-N -1 3 389.347 -0.003 20 0 GBADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCN2C(=O)OCC[C@@H]2C1 ZINC000826453974 608117861 /nfs/dbraw/zinc/11/78/61/608117861.db2.gz GBXTWEJFPVUDRC-SNVBAGLBSA-N -1 3 389.347 -0.003 20 0 GBADHM O=C(Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)N1CCC(OCCO)CC1 ZINC000826454408 607945106 /nfs/dbraw/zinc/94/51/06/607945106.db2.gz VKNABNJKAJVPCZ-UHFFFAOYSA-N -1 3 378.364 -0.056 20 0 GBADHM O=C(Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)N1CCC(OCCO)CC1 ZINC000826454408 607945105 /nfs/dbraw/zinc/94/51/05/607945105.db2.gz VKNABNJKAJVPCZ-UHFFFAOYSA-N -1 3 378.364 -0.056 20 0 GBADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000826456074 608361075 /nfs/dbraw/zinc/36/10/75/608361075.db2.gz OZFYYICQFSMSNR-CABCVRRESA-N -1 3 385.428 -0.137 20 0 GBADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000826456075 608360880 /nfs/dbraw/zinc/36/08/80/608360880.db2.gz OZFYYICQFSMSNR-GJZGRUSLSA-N -1 3 385.428 -0.137 20 0 GBADHM O=C(Nc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000826456076 608360953 /nfs/dbraw/zinc/36/09/53/608360953.db2.gz OZFYYICQFSMSNR-HUUCEWRRSA-N -1 3 385.428 -0.137 20 0 GBADHM 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392.397 -0.649 20 0 GBADHM O=C1N[C@@]2(CCOC2)C(=O)N1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826482450 607879926 /nfs/dbraw/zinc/87/99/26/607879926.db2.gz DYLQEECXHUBTKU-OAHLLOKOSA-N -1 3 392.397 -0.649 20 0 GBADHM O=C1N[C@@]2(CCOC2)C(=O)N1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826482450 607879925 /nfs/dbraw/zinc/87/99/25/607879925.db2.gz DYLQEECXHUBTKU-OAHLLOKOSA-N -1 3 392.397 -0.649 20 0 GBADHM O=C1NC[C@@H]2CN(c3ccc(Br)cc3-c3nn[n-]n3)CCN2C1=O ZINC000826482471 638011141 /nfs/dbraw/zinc/01/11/41/638011141.db2.gz FVGSEAWGSPCDOU-SECBINFHSA-N -1 3 392.217 -0.224 20 0 GBADHM O=C1NC[C@@H]2CN(c3ccc(Br)cc3-c3nnn[n-]3)CCN2C1=O ZINC000826482471 638011129 /nfs/dbraw/zinc/01/11/29/638011129.db2.gz FVGSEAWGSPCDOU-SECBINFHSA-N -1 3 392.217 -0.224 20 0 GBADHM O=C1NC[C@H]2CN(c3ccc(Br)cc3-c3nn[n-]n3)CCN2C1=O ZINC000826482472 638010993 /nfs/dbraw/zinc/01/09/93/638010993.db2.gz FVGSEAWGSPCDOU-VIFPVBQESA-N -1 3 392.217 -0.224 20 0 GBADHM O=C1NC[C@H]2CN(c3ccc(Br)cc3-c3nnn[n-]3)CCN2C1=O ZINC000826482472 638010985 /nfs/dbraw/zinc/01/09/85/638010985.db2.gz FVGSEAWGSPCDOU-VIFPVBQESA-N -1 3 392.217 -0.224 20 0 GBADHM O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)CCN12 ZINC000826482486 609556806 /nfs/dbraw/zinc/55/68/06/609556806.db2.gz GFWJNJFTWLDJGL-SECBINFHSA-N -1 3 383.821 -0.082 20 0 GBADHM O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)CCN12 ZINC000826482486 609556805 /nfs/dbraw/zinc/55/68/05/609556805.db2.gz GFWJNJFTWLDJGL-SECBINFHSA-N -1 3 383.821 -0.082 20 0 GBADHM O=C1NC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)CCN12 ZINC000826482487 609556704 /nfs/dbraw/zinc/55/67/04/609556704.db2.gz GFWJNJFTWLDJGL-VIFPVBQESA-N -1 3 383.821 -0.082 20 0 GBADHM O=C1NC[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)CCN12 ZINC000826482487 609556702 /nfs/dbraw/zinc/55/67/02/609556702.db2.gz GFWJNJFTWLDJGL-VIFPVBQESA-N -1 3 383.821 -0.082 20 0 GBADHM O=C1NC[C@@H]2CN(S(=O)(=O)Cc3cc(-c4nn[n-]n4)ccc3F)CCN12 ZINC000826482711 608337972 /nfs/dbraw/zinc/33/79/72/608337972.db2.gz OJYYDFMOAXJWJY-LLVKDONJSA-N -1 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608519913 /nfs/dbraw/zinc/51/99/13/608519913.db2.gz JOYKELGFCSYLEC-UHFFFAOYSA-N -1 3 399.502 -0.377 20 0 GBADHM O=S(=O)(Cc1ccon1)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC000826487587 948401320 /nfs/dbraw/zinc/40/13/20/948401320.db2.gz SRFSFELVMVFEHX-UHFFFAOYSA-N -1 3 376.402 -0.098 20 0 GBADHM O=S(=O)(Cc1ccon1)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC000826487587 948401312 /nfs/dbraw/zinc/40/13/12/948401312.db2.gz SRFSFELVMVFEHX-UHFFFAOYSA-N -1 3 376.402 -0.098 20 0 GBADHM O=S(=O)([N-]C1CCN(CCO)CC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826488018 607634751 /nfs/dbraw/zinc/63/47/51/607634751.db2.gz GSWKUKYTNLQYKK-UHFFFAOYSA-N -1 3 388.400 -0.120 20 0 GBADHM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826490014 607557406 /nfs/dbraw/zinc/55/74/06/607557406.db2.gz HFEHGXCGGODAMX-JTQLQIEISA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826490014 607557404 /nfs/dbraw/zinc/55/74/04/607557404.db2.gz HFEHGXCGGODAMX-JTQLQIEISA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826490015 607557416 /nfs/dbraw/zinc/55/74/16/607557416.db2.gz HFEHGXCGGODAMX-SNVBAGLBSA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826490015 607557415 /nfs/dbraw/zinc/55/74/15/607557415.db2.gz HFEHGXCGGODAMX-SNVBAGLBSA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826490336 609560883 /nfs/dbraw/zinc/56/08/83/609560883.db2.gz RMBXPSKUPVUWBW-LLVKDONJSA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826490336 609560882 /nfs/dbraw/zinc/56/08/82/609560882.db2.gz RMBXPSKUPVUWBW-LLVKDONJSA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826490337 609560871 /nfs/dbraw/zinc/56/08/71/609560871.db2.gz RMBXPSKUPVUWBW-NSHDSACASA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826490337 609560870 /nfs/dbraw/zinc/56/08/70/609560870.db2.gz RMBXPSKUPVUWBW-NSHDSACASA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@H]1CCCS1(=O)=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490518 607675968 /nfs/dbraw/zinc/67/59/68/607675968.db2.gz YALUGDDOUBJNAS-SECBINFHSA-N -1 3 375.407 -0.139 20 0 GBADHM O=S(=O)(NC[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490519 607675999 /nfs/dbraw/zinc/67/59/99/607675999.db2.gz YALUGDDOUBJNAS-VIFPVBQESA-N -1 3 375.407 -0.139 20 0 GBADHM O=S(=O)(NCCN1CCCS1(=O)=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826490865 638011399 /nfs/dbraw/zinc/01/13/99/638011399.db2.gz KFGFOUUSAGHZCH-UHFFFAOYSA-N -1 3 390.422 -0.680 20 0 GBADHM O=S(=O)(NCCCN1CCCS1(=O)=O)c1ccccc1-c1nn[n-]n1 ZINC000826490924 607604186 /nfs/dbraw/zinc/60/41/86/607604186.db2.gz MVTQSIYQSLPDQN-UHFFFAOYSA-N -1 3 386.459 -0.429 20 0 GBADHM O=S(=O)(NCCCN1CCCS1(=O)=O)c1ccccc1-c1nnn[n-]1 ZINC000826490924 607604184 /nfs/dbraw/zinc/60/41/84/607604184.db2.gz MVTQSIYQSLPDQN-UHFFFAOYSA-N -1 3 386.459 -0.429 20 0 GBADHM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826491062 607680650 /nfs/dbraw/zinc/68/06/50/607680650.db2.gz RVBTZKLLJQZAPK-LLVKDONJSA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826491062 607680648 /nfs/dbraw/zinc/68/06/48/607680648.db2.gz RVBTZKLLJQZAPK-LLVKDONJSA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826491063 607680559 /nfs/dbraw/zinc/68/05/59/607680559.db2.gz RVBTZKLLJQZAPK-NSHDSACASA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826491063 607680556 /nfs/dbraw/zinc/68/05/56/607680556.db2.gz RVBTZKLLJQZAPK-NSHDSACASA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NCCOCCO)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826491677 607622455 /nfs/dbraw/zinc/62/24/55/607622455.db2.gz VKPYSQWSNUFSFX-UHFFFAOYSA-N -1 3 392.235 -0.084 20 0 GBADHM O=S(=O)(NCCOCCO)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826491677 607622453 /nfs/dbraw/zinc/62/24/53/607622453.db2.gz VKPYSQWSNUFSFX-UHFFFAOYSA-N -1 3 392.235 -0.084 20 0 GBADHM O=S(=O)(NCCn1ncnn1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826492217 607673080 /nfs/dbraw/zinc/67/30/80/607673080.db2.gz YIVBHAHXCLBRBH-UHFFFAOYSA-N -1 3 389.323 -0.150 20 0 GBADHM O=S(=O)(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)N1CCOCC1 ZINC000826492572 608569458 /nfs/dbraw/zinc/56/94/58/608569458.db2.gz RSMIHVMLASRCSJ-UHFFFAOYSA-N -1 3 390.429 -0.077 20 0 GBADHM O=S(=O)(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)N1CCOCC1 ZINC000826492572 608569457 /nfs/dbraw/zinc/56/94/57/608569457.db2.gz RSMIHVMLASRCSJ-UHFFFAOYSA-N -1 3 390.429 -0.077 20 0 GBADHM O=S(=O)(c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)N(CCO)CCO ZINC000826493758 608423067 /nfs/dbraw/zinc/42/30/67/608423067.db2.gz BCUJEVHKAMZUTD-UHFFFAOYSA-N -1 3 381.336 -0.139 20 0 GBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)N(CCO)CCO ZINC000826493758 608423065 /nfs/dbraw/zinc/42/30/65/608423065.db2.gz BCUJEVHKAMZUTD-UHFFFAOYSA-N -1 3 381.336 -0.139 20 0 GBADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(C[C@H](O)C2CC2)CC1 ZINC000826493791 607639207 /nfs/dbraw/zinc/63/92/07/607639207.db2.gz CISCJUQSTNIIGV-HNNXBMFYSA-N -1 3 378.458 -0.056 20 0 GBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(C[C@H](O)C2CC2)CC1 ZINC000826493791 607639205 /nfs/dbraw/zinc/63/92/05/607639205.db2.gz CISCJUQSTNIIGV-HNNXBMFYSA-N -1 3 378.458 -0.056 20 0 GBADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(C[C@@H](O)C2CC2)CC1 ZINC000826493792 607639121 /nfs/dbraw/zinc/63/91/21/607639121.db2.gz CISCJUQSTNIIGV-OAHLLOKOSA-N -1 3 378.458 -0.056 20 0 GBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(C[C@@H](O)C2CC2)CC1 ZINC000826493792 607639119 /nfs/dbraw/zinc/63/91/19/607639119.db2.gz CISCJUQSTNIIGV-OAHLLOKOSA-N -1 3 378.458 -0.056 20 0 GBADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1)N1CCN(Cn2cnnc2)CC1 ZINC000826493802 609158802 /nfs/dbraw/zinc/15/88/02/609158802.db2.gz CQVJAJBUXNVYPN-UHFFFAOYSA-N -1 3 375.418 -0.578 20 0 GBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1)N1CCN(Cn2cnnc2)CC1 ZINC000826493802 609158799 /nfs/dbraw/zinc/15/87/99/609158799.db2.gz CQVJAJBUXNVYPN-UHFFFAOYSA-N -1 3 375.418 -0.578 20 0 GBADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCN(CCO)CC1 ZINC000826493844 607626192 /nfs/dbraw/zinc/62/61/92/607626192.db2.gz FOJHOPZNIQHTCS-UHFFFAOYSA-N -1 3 388.400 -0.166 20 0 GBADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCCN(CCO)CC1 ZINC000826493844 607626191 /nfs/dbraw/zinc/62/61/91/607626191.db2.gz FOJHOPZNIQHTCS-UHFFFAOYSA-N -1 3 388.400 -0.166 20 0 GBADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)N(CCO)CCO ZINC000826494190 608422801 /nfs/dbraw/zinc/42/28/01/608422801.db2.gz RSGRMIGOZCKAAR-UHFFFAOYSA-N -1 3 381.336 -0.139 20 0 GBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cc1C(F)(F)F)N(CCO)CCO ZINC000826494190 608422799 /nfs/dbraw/zinc/42/27/99/608422799.db2.gz RSGRMIGOZCKAAR-UHFFFAOYSA-N -1 3 381.336 -0.139 20 0 GBADHM O=S(=O)(c1cc(Br)cc(-c2nn[n-]n2)c1)N(CCO)CCO ZINC000826494311 608422743 /nfs/dbraw/zinc/42/27/43/608422743.db2.gz WXLFAOWDOCLZNE-UHFFFAOYSA-N -1 3 392.235 -0.396 20 0 GBADHM O=S(=O)(c1cc(Br)cc(-c2nnn[n-]2)c1)N(CCO)CCO ZINC000826494311 608422741 /nfs/dbraw/zinc/42/27/41/608422741.db2.gz WXLFAOWDOCLZNE-UHFFFAOYSA-N -1 3 392.235 -0.396 20 0 GBADHM O=S(=O)(c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCN(CCCO)CC1 ZINC000826494332 608567441 /nfs/dbraw/zinc/56/74/41/608567441.db2.gz XZGAOBCVYUDEQA-UHFFFAOYSA-N -1 3 388.400 -0.166 20 0 GBADHM O=S(=O)(c1c(F)cc(-c2nnn[n-]2)cc1F)N1CCN(CCCO)CC1 ZINC000826494332 608567439 /nfs/dbraw/zinc/56/74/39/608567439.db2.gz XZGAOBCVYUDEQA-UHFFFAOYSA-N -1 3 388.400 -0.166 20 0 GBADHM O=S(=O)(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)N(CCO)CCO ZINC000826494829 608422998 /nfs/dbraw/zinc/42/29/98/608422998.db2.gz QZQWNNHNBFXPTK-UHFFFAOYSA-N -1 3 381.336 -0.139 20 0 GBADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCO[C@H](Cn2cncn2)C1 ZINC000826495568 607619398 /nfs/dbraw/zinc/61/93/98/607619398.db2.gz UDOQBTTUDPYTSV-LLVKDONJSA-N -1 3 394.392 -0.313 20 0 GBADHM O=S(=O)(c1ccc(F)cc1-c1nnn[n-]1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000826495569 607619053 /nfs/dbraw/zinc/61/90/53/607619053.db2.gz UDOQBTTUDPYTSV-NSHDSACASA-N -1 3 394.392 -0.313 20 0 GBADHM O=S1(=O)C[C@H](O)[C@H](N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)C1 ZINC000826495875 608256370 /nfs/dbraw/zinc/25/63/70/608256370.db2.gz FNBQZBVOPCUYEP-CABCVRRESA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@H](N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC000826495875 608256369 /nfs/dbraw/zinc/25/63/69/608256369.db2.gz FNBQZBVOPCUYEP-CABCVRRESA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@@H](N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)C1 ZINC000826495876 608256205 /nfs/dbraw/zinc/25/62/05/608256205.db2.gz FNBQZBVOPCUYEP-GJZGRUSLSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@@H](N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC000826495876 608256203 /nfs/dbraw/zinc/25/62/03/608256203.db2.gz FNBQZBVOPCUYEP-GJZGRUSLSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@@H](O)[C@H](N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)C1 ZINC000826495877 608256227 /nfs/dbraw/zinc/25/62/27/608256227.db2.gz FNBQZBVOPCUYEP-HUUCEWRRSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@@H](O)[C@H](N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)C1 ZINC000826495877 608256226 /nfs/dbraw/zinc/25/62/26/608256226.db2.gz FNBQZBVOPCUYEP-HUUCEWRRSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)[C@H](O)C1 ZINC000826495878 608256622 /nfs/dbraw/zinc/25/66/22/608256622.db2.gz FNBQZBVOPCUYEP-LSDHHAIUSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](N2CCN(Cc3ccc(F)c(-c4nnn[n-]4)c3)CC2)[C@H](O)C1 ZINC000826495878 608256621 /nfs/dbraw/zinc/25/66/21/608256621.db2.gz FNBQZBVOPCUYEP-LSDHHAIUSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCO[C@H](Cn2cncn2)C1 ZINC000826495932 607618890 /nfs/dbraw/zinc/61/88/90/607618890.db2.gz GPLUUGQNPGWZLQ-LLVKDONJSA-N -1 3 376.402 -0.452 20 0 GBADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCO[C@H](Cn2cncn2)C1 ZINC000826495932 607618889 /nfs/dbraw/zinc/61/88/89/607618889.db2.gz GPLUUGQNPGWZLQ-LLVKDONJSA-N -1 3 376.402 -0.452 20 0 GBADHM O=S(=O)(c1ccccc1-c1nn[n-]n1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000826495933 607619376 /nfs/dbraw/zinc/61/93/76/607619376.db2.gz GPLUUGQNPGWZLQ-NSHDSACASA-N -1 3 376.402 -0.452 20 0 GBADHM O=S(=O)(c1ccccc1-c1nnn[n-]1)N1CCO[C@@H](Cn2cncn2)C1 ZINC000826495933 607619374 /nfs/dbraw/zinc/61/93/74/607619374.db2.gz GPLUUGQNPGWZLQ-NSHDSACASA-N -1 3 376.402 -0.452 20 0 GBADHM O=S1(=O)C[C@H](O)[C@@H](N2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)C1 ZINC000826495955 608414078 /nfs/dbraw/zinc/41/40/78/608414078.db2.gz HCMYPTNNDBVCMQ-KBPBESRZSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@@H](N2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)C1 ZINC000826495955 608414076 /nfs/dbraw/zinc/41/40/76/608414076.db2.gz HCMYPTNNDBVCMQ-KBPBESRZSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@H](N2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)C1 ZINC000826495956 608414372 /nfs/dbraw/zinc/41/43/72/608414372.db2.gz HCMYPTNNDBVCMQ-KGLIPLIRSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@H](N2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)C1 ZINC000826495956 608414370 /nfs/dbraw/zinc/41/43/70/608414370.db2.gz HCMYPTNNDBVCMQ-KGLIPLIRSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](N2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)[C@H](O)C1 ZINC000826495957 608414367 /nfs/dbraw/zinc/41/43/67/608414367.db2.gz HCMYPTNNDBVCMQ-UONOGXRCSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](N2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)[C@H](O)C1 ZINC000826495957 608414365 /nfs/dbraw/zinc/41/43/65/608414365.db2.gz HCMYPTNNDBVCMQ-UONOGXRCSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@@H](O)[C@H](N2CCN(Cc3cccc(-c4nn[n-]n4)c3F)CC2)C1 ZINC000826495958 608414436 /nfs/dbraw/zinc/41/44/36/608414436.db2.gz HCMYPTNNDBVCMQ-ZIAGYGMSSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@@H](O)[C@H](N2CCN(Cc3cccc(-c4nnn[n-]4)c3F)CC2)C1 ZINC000826495958 608414435 /nfs/dbraw/zinc/41/44/35/608414435.db2.gz HCMYPTNNDBVCMQ-ZIAGYGMSSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@H](N2CCN(Cc3ccc(F)cc3-c3nn[n-]n3)CC2)C1 ZINC000826496054 607792712 /nfs/dbraw/zinc/79/27/12/607792712.db2.gz JRQXFZZTNSMORB-CABCVRRESA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@H](N2CCN(Cc3ccc(F)cc3-c3nnn[n-]3)CC2)C1 ZINC000826496054 607792711 /nfs/dbraw/zinc/79/27/11/607792711.db2.gz JRQXFZZTNSMORB-CABCVRRESA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@@H](N2CCN(Cc3ccc(F)cc3-c3nn[n-]n3)CC2)C1 ZINC000826496055 607792655 /nfs/dbraw/zinc/79/26/55/607792655.db2.gz JRQXFZZTNSMORB-GJZGRUSLSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@@H](N2CCN(Cc3ccc(F)cc3-c3nnn[n-]3)CC2)C1 ZINC000826496055 607792654 /nfs/dbraw/zinc/79/26/54/607792654.db2.gz JRQXFZZTNSMORB-GJZGRUSLSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@@H](O)[C@H](N2CCN(Cc3ccc(F)cc3-c3nn[n-]n3)CC2)C1 ZINC000826496056 607792497 /nfs/dbraw/zinc/79/24/97/607792497.db2.gz JRQXFZZTNSMORB-HUUCEWRRSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@@H](O)[C@H](N2CCN(Cc3ccc(F)cc3-c3nnn[n-]3)CC2)C1 ZINC000826496056 607792496 /nfs/dbraw/zinc/79/24/96/607792496.db2.gz JRQXFZZTNSMORB-HUUCEWRRSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](N2CCN(Cc3ccc(F)cc3-c3nn[n-]n3)CC2)[C@H](O)C1 ZINC000826496057 607792667 /nfs/dbraw/zinc/79/26/67/607792667.db2.gz JRQXFZZTNSMORB-LSDHHAIUSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](N2CCN(Cc3ccc(F)cc3-c3nnn[n-]3)CC2)[C@H](O)C1 ZINC000826496057 607792666 /nfs/dbraw/zinc/79/26/66/607792666.db2.gz JRQXFZZTNSMORB-LSDHHAIUSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](NCc2cccc(-c3nn[n-]n3)c2F)[C@@H](N2CCOCC2)C1 ZINC000826496085 608406995 /nfs/dbraw/zinc/40/69/95/608406995.db2.gz KONCYMZUFHPFSA-KBPBESRZSA-N -1 3 396.448 -0.407 20 0 GBADHM O=S1(=O)C[C@H](NCc2cccc(-c3nnn[n-]3)c2F)[C@@H](N2CCOCC2)C1 ZINC000826496085 608406994 /nfs/dbraw/zinc/40/69/94/608406994.db2.gz KONCYMZUFHPFSA-KBPBESRZSA-N -1 3 396.448 -0.407 20 0 GBADHM O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000826496086 608406982 /nfs/dbraw/zinc/40/69/82/608406982.db2.gz KONCYMZUFHPFSA-KGLIPLIRSA-N -1 3 396.448 -0.407 20 0 GBADHM O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000826496086 608406981 /nfs/dbraw/zinc/40/69/81/608406981.db2.gz KONCYMZUFHPFSA-KGLIPLIRSA-N -1 3 396.448 -0.407 20 0 GBADHM O=S1(=O)C[C@H](NCc2cccc(-c3nn[n-]n3)c2F)[C@H](N2CCOCC2)C1 ZINC000826496087 608406818 /nfs/dbraw/zinc/40/68/18/608406818.db2.gz KONCYMZUFHPFSA-UONOGXRCSA-N -1 3 396.448 -0.407 20 0 GBADHM O=S1(=O)C[C@H](NCc2cccc(-c3nnn[n-]3)c2F)[C@H](N2CCOCC2)C1 ZINC000826496087 608406816 /nfs/dbraw/zinc/40/68/16/608406816.db2.gz KONCYMZUFHPFSA-UONOGXRCSA-N -1 3 396.448 -0.407 20 0 GBADHM O=S1(=O)C[C@@H](NCc2cccc(-c3nn[n-]n3)c2F)[C@H](N2CCOCC2)C1 ZINC000826496088 608406609 /nfs/dbraw/zinc/40/66/09/608406609.db2.gz KONCYMZUFHPFSA-ZIAGYGMSSA-N -1 3 396.448 -0.407 20 0 GBADHM O=S1(=O)C[C@@H](NCc2cccc(-c3nnn[n-]3)c2F)[C@H](N2CCOCC2)C1 ZINC000826496088 608406607 /nfs/dbraw/zinc/40/66/07/608406607.db2.gz KONCYMZUFHPFSA-ZIAGYGMSSA-N -1 3 396.448 -0.407 20 0 GBADHM O=S1(=O)C[C@H](O)[C@H](N2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC000826496126 607792151 /nfs/dbraw/zinc/79/21/51/607792151.db2.gz MBAUSXPMSAQMLJ-CABCVRRESA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@H](N2CCN(Cc3ccc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC000826496126 607792150 /nfs/dbraw/zinc/79/21/50/607792150.db2.gz MBAUSXPMSAQMLJ-CABCVRRESA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@@H](N2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC000826496127 607792076 /nfs/dbraw/zinc/79/20/76/607792076.db2.gz MBAUSXPMSAQMLJ-GJZGRUSLSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@@H](N2CCN(Cc3ccc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC000826496127 607792075 /nfs/dbraw/zinc/79/20/75/607792075.db2.gz MBAUSXPMSAQMLJ-GJZGRUSLSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@@H](O)[C@H](N2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)CC2)C1 ZINC000826496128 607792115 /nfs/dbraw/zinc/79/21/15/607792115.db2.gz MBAUSXPMSAQMLJ-HUUCEWRRSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@@H](O)[C@H](N2CCN(Cc3ccc(-c4nnn[n-]4)cc3F)CC2)C1 ZINC000826496128 607792114 /nfs/dbraw/zinc/79/21/14/607792114.db2.gz MBAUSXPMSAQMLJ-HUUCEWRRSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](N2CCN(Cc3ccc(-c4nn[n-]n4)cc3F)CC2)[C@H](O)C1 ZINC000826496129 607792568 /nfs/dbraw/zinc/79/25/68/607792568.db2.gz MBAUSXPMSAQMLJ-LSDHHAIUSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](N2CCN(Cc3ccc(-c4nnn[n-]4)cc3F)CC2)[C@H](O)C1 ZINC000826496129 607792567 /nfs/dbraw/zinc/79/25/67/607792567.db2.gz MBAUSXPMSAQMLJ-LSDHHAIUSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@H](N2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)CC2)C1 ZINC000826496134 607792749 /nfs/dbraw/zinc/79/27/49/607792749.db2.gz MJUGESVOPILQEO-CABCVRRESA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@H](N2CCN(Cc3cc(-c4nnn[n-]4)ccc3F)CC2)C1 ZINC000826496134 607792748 /nfs/dbraw/zinc/79/27/48/607792748.db2.gz MJUGESVOPILQEO-CABCVRRESA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@@H](N2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)CC2)C1 ZINC000826496135 607792594 /nfs/dbraw/zinc/79/25/94/607792594.db2.gz MJUGESVOPILQEO-GJZGRUSLSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@@H](N2CCN(Cc3cc(-c4nnn[n-]4)ccc3F)CC2)C1 ZINC000826496135 607792593 /nfs/dbraw/zinc/79/25/93/607792593.db2.gz MJUGESVOPILQEO-GJZGRUSLSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@@H](O)[C@H](N2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)CC2)C1 ZINC000826496136 607792597 /nfs/dbraw/zinc/79/25/97/607792597.db2.gz MJUGESVOPILQEO-HUUCEWRRSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@@H](O)[C@H](N2CCN(Cc3cc(-c4nnn[n-]4)ccc3F)CC2)C1 ZINC000826496136 607792596 /nfs/dbraw/zinc/79/25/96/607792596.db2.gz MJUGESVOPILQEO-HUUCEWRRSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](N2CCN(Cc3cc(-c4nn[n-]n4)ccc3F)CC2)[C@H](O)C1 ZINC000826496137 607792724 /nfs/dbraw/zinc/79/27/24/607792724.db2.gz MJUGESVOPILQEO-LSDHHAIUSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](N2CCN(Cc3cc(-c4nnn[n-]4)ccc3F)CC2)[C@H](O)C1 ZINC000826496137 607792723 /nfs/dbraw/zinc/79/27/23/607792723.db2.gz MJUGESVOPILQEO-LSDHHAIUSA-N -1 3 396.448 -0.719 20 0 GBADHM O=S1(=O)C[C@H](O)[C@H](N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)C1 ZINC000826496347 609428316 /nfs/dbraw/zinc/42/83/16/609428316.db2.gz SVKODTJWEHFWNR-NEPJUHHUSA-N -1 3 399.864 -0.805 20 0 GBADHM O=S1(=O)C[C@H](O)[C@H](N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)C1 ZINC000826496347 609428314 /nfs/dbraw/zinc/42/83/14/609428314.db2.gz SVKODTJWEHFWNR-NEPJUHHUSA-N -1 3 399.864 -0.805 20 0 GBADHM O=S1(=O)C[C@H](N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)[C@H](O)C1 ZINC000826496348 609428799 /nfs/dbraw/zinc/42/87/99/609428799.db2.gz SVKODTJWEHFWNR-NWDGAFQWSA-N -1 3 399.864 -0.805 20 0 GBADHM O=S1(=O)C[C@H](N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)[C@H](O)C1 ZINC000826496348 609428796 /nfs/dbraw/zinc/42/87/96/609428796.db2.gz SVKODTJWEHFWNR-NWDGAFQWSA-N -1 3 399.864 -0.805 20 0 GBADHM O=S1(=O)C[C@H](O)[C@@H](N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)C1 ZINC000826496349 609428620 /nfs/dbraw/zinc/42/86/20/609428620.db2.gz SVKODTJWEHFWNR-RYUDHWBXSA-N -1 3 399.864 -0.805 20 0 GBADHM O=S1(=O)C[C@H](O)[C@@H](N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)C1 ZINC000826496349 609428619 /nfs/dbraw/zinc/42/86/19/609428619.db2.gz SVKODTJWEHFWNR-RYUDHWBXSA-N -1 3 399.864 -0.805 20 0 GBADHM O=S1(=O)C[C@@H](O)[C@H](N2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)C1 ZINC000826496350 609428469 /nfs/dbraw/zinc/42/84/69/609428469.db2.gz SVKODTJWEHFWNR-VXGBXAGGSA-N -1 3 399.864 -0.805 20 0 GBADHM O=S1(=O)C[C@@H](O)[C@H](N2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)C1 ZINC000826496350 609428466 /nfs/dbraw/zinc/42/84/66/609428466.db2.gz SVKODTJWEHFWNR-VXGBXAGGSA-N -1 3 399.864 -0.805 20 0 GBADHM O=S(=O)(N[C@@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826496588 607614239 /nfs/dbraw/zinc/61/42/39/607614239.db2.gz AQTNHYFNHJIBIH-SECBINFHSA-N -1 3 375.407 -0.139 20 0 GBADHM O=S(=O)(N[C@H]1CCCS(=O)(=O)C1)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826496589 607614092 /nfs/dbraw/zinc/61/40/92/607614092.db2.gz AQTNHYFNHJIBIH-VIFPVBQESA-N -1 3 375.407 -0.139 20 0 GBADHM O=S1(=O)CCCN1CCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826496605 607520379 /nfs/dbraw/zinc/52/03/79/607520379.db2.gz BGYCKNNIIZSCLS-UHFFFAOYSA-N -1 3 378.462 -0.581 20 0 GBADHM O=S1(=O)CCCN1CCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000826496605 607520378 /nfs/dbraw/zinc/52/03/78/607520378.db2.gz BGYCKNNIIZSCLS-UHFFFAOYSA-N -1 3 378.462 -0.581 20 0 GBADHM O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826496674 609533113 /nfs/dbraw/zinc/53/31/13/609533113.db2.gz DVZSTZUBDFNYQR-MRVPVSSYSA-N -1 3 377.835 -0.015 20 0 GBADHM O=S(=O)(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826496674 609533111 /nfs/dbraw/zinc/53/31/11/609533111.db2.gz DVZSTZUBDFNYQR-MRVPVSSYSA-N -1 3 377.835 -0.015 20 0 GBADHM O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826496675 609533060 /nfs/dbraw/zinc/53/30/60/609533060.db2.gz DVZSTZUBDFNYQR-QMMMGPOBSA-N -1 3 377.835 -0.015 20 0 GBADHM O=S(=O)(N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826496675 609533058 /nfs/dbraw/zinc/53/30/58/609533058.db2.gz DVZSTZUBDFNYQR-QMMMGPOBSA-N -1 3 377.835 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ZINC001571117349 952481150 /nfs/dbraw/zinc/48/11/50/952481150.db2.gz JUEVJYLMUFIUGZ-VXGBXAGGSA-N -1 3 375.414 -0.180 20 0 GBADHM O=C(Cc1ccon1)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001571117349 952481147 /nfs/dbraw/zinc/48/11/47/952481147.db2.gz JUEVJYLMUFIUGZ-VXGBXAGGSA-N -1 3 375.414 -0.180 20 0 GBADHM Cc1nsc(N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571117503 952481634 /nfs/dbraw/zinc/48/16/34/952481634.db2.gz LRGHSSNVSVUNGY-JTQLQIEISA-N -1 3 375.418 -0.010 20 0 GBADHM Cc1nsc(N2CCO[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571117503 952481627 /nfs/dbraw/zinc/48/16/27/952481627.db2.gz LRGHSSNVSVUNGY-JTQLQIEISA-N -1 3 375.418 -0.010 20 0 GBADHM Cc1nsc(N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571117504 952482084 /nfs/dbraw/zinc/48/20/84/952482084.db2.gz LRGHSSNVSVUNGY-SNVBAGLBSA-N -1 3 375.418 -0.010 20 0 GBADHM Cc1nsc(N2CCO[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571117504 952482082 /nfs/dbraw/zinc/48/20/82/952482082.db2.gz LRGHSSNVSVUNGY-SNVBAGLBSA-N -1 3 375.418 -0.010 20 0 GBADHM Cc1nsc(N2C[C@@H](NC(=O)Cn3cccn3)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571117643 952483286 /nfs/dbraw/zinc/48/32/86/952483286.db2.gz OBFBLIMJXBZLFC-ZJUUUORDSA-N -1 3 375.418 -0.806 20 0 GBADHM O=C(NC[C@@H]1CN(Cc2cnns2)CCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571117645 952483331 /nfs/dbraw/zinc/48/33/31/952483331.db2.gz ODKFXNLTNHYEQS-SECBINFHSA-N -1 3 375.418 -0.323 20 0 GBADHM O=C(NC[C@@H]1CN(Cc2cnns2)CCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571117645 952483328 /nfs/dbraw/zinc/48/33/28/952483328.db2.gz ODKFXNLTNHYEQS-SECBINFHSA-N -1 3 375.418 -0.323 20 0 GBADHM O=C(NC[C@H]1CN(Cc2cnns2)CCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571117646 952483512 /nfs/dbraw/zinc/48/35/12/952483512.db2.gz ODKFXNLTNHYEQS-VIFPVBQESA-N -1 3 375.418 -0.323 20 0 GBADHM O=C(NC[C@H]1CN(Cc2cnns2)CCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571117646 952483509 /nfs/dbraw/zinc/48/35/09/952483509.db2.gz ODKFXNLTNHYEQS-VIFPVBQESA-N -1 3 375.418 -0.323 20 0 GBADHM Cc1nsc(N2C[C@@H](NC(=O)Cc3cc[nH]n3)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571117713 952483578 /nfs/dbraw/zinc/48/35/78/952483578.db2.gz ORLSBWZEIAWKMU-ZJUUUORDSA-N -1 3 375.418 -0.737 20 0 GBADHM Cc1nsc(N2CCC[C@H](NC(=O)Cn3cnnn3)C2)c1-c1nnn[n-]1 ZINC001571117800 952484535 /nfs/dbraw/zinc/48/45/35/952484535.db2.gz QSQAVJLSUYKQDH-VIFPVBQESA-N -1 3 375.422 -0.597 20 0 GBADHM O=C(C1CS(=O)(=O)C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571117817 952484500 /nfs/dbraw/zinc/48/45/00/952484500.db2.gz QYPYYPZZMWATCR-RYUDHWBXSA-N -1 3 375.414 -0.904 20 0 GBADHM O=C(C1CS(=O)(=O)C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001571117817 952484499 /nfs/dbraw/zinc/48/44/99/952484499.db2.gz QYPYYPZZMWATCR-RYUDHWBXSA-N -1 3 375.414 -0.904 20 0 GBADHM Cc1nsc(N(C)[C@@H]2CCN(C(=O)Cn3ncnn3)C2)c1-c1nnn[n-]1 ZINC001571117828 952485241 /nfs/dbraw/zinc/48/52/41/952485241.db2.gz RBGIOXRTZVAQNM-SECBINFHSA-N -1 3 375.422 -0.645 20 0 GBADHM Cc1nsc(N(C)[C@H]2CCN(C(=O)Cn3ncnn3)C2)c1-c1nnn[n-]1 ZINC001571117830 952485853 /nfs/dbraw/zinc/48/58/53/952485853.db2.gz RBGIOXRTZVAQNM-VIFPVBQESA-N -1 3 375.422 -0.645 20 0 GBADHM Cn1cc(CNC(=O)CS(C)(=O)=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001571117832 952486154 /nfs/dbraw/zinc/48/61/54/952486154.db2.gz RFQQFGPSHVAJCW-UHFFFAOYSA-N -1 3 375.414 -0.072 20 0 GBADHM CO[C@@H]1CN(Cc2cnns2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571118034 952485337 /nfs/dbraw/zinc/48/53/37/952485337.db2.gz SFAVOTSZGHWQES-VXGBXAGGSA-N -1 3 375.418 -0.325 20 0 GBADHM CO[C@@H]1CN(Cc2cnns2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571118034 952485332 /nfs/dbraw/zinc/48/53/32/952485332.db2.gz SFAVOTSZGHWQES-VXGBXAGGSA-N -1 3 375.418 -0.325 20 0 GBADHM O=S(=O)(NC[C@H](CO)Cc1cccnc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571118099 952486806 /nfs/dbraw/zinc/48/68/06/952486806.db2.gz UTPAFVNVJHYYDS-GFCCVEGCSA-N -1 3 375.414 -0.214 20 0 GBADHM O=S(=O)(NC[C@H](CO)Cc1cccnc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571118099 952486802 /nfs/dbraw/zinc/48/68/02/952486802.db2.gz UTPAFVNVJHYYDS-GFCCVEGCSA-N -1 3 375.414 -0.214 20 0 GBADHM O=S(=O)(NC[C@@H](CO)Cc1cccnc1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571118262 952486887 /nfs/dbraw/zinc/48/68/87/952486887.db2.gz UTPAFVNVJHYYDS-LBPRGKRZSA-N -1 3 375.414 -0.214 20 0 GBADHM O=S(=O)(NC[C@@H](CO)Cc1cccnc1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571118262 952486882 /nfs/dbraw/zinc/48/68/82/952486882.db2.gz UTPAFVNVJHYYDS-LBPRGKRZSA-N -1 3 375.414 -0.214 20 0 GBADHM Cc1nsc(N[C@H]2C[C@@H](C)N(C(=O)Cn3ncnn3)C2)c1-c1nnn[n-]1 ZINC001571118267 952487265 /nfs/dbraw/zinc/48/72/65/952487265.db2.gz UVNVJBLTKOXWMY-APPZFPTMSA-N -1 3 375.422 -0.280 20 0 GBADHM Cc1nsc(N[C@H]2C[C@H](C)N(C(=O)Cn3ncnn3)C2)c1-c1nnn[n-]1 ZINC001571118272 952486560 /nfs/dbraw/zinc/48/65/60/952486560.db2.gz UVNVJBLTKOXWMY-CBAPKCEASA-N -1 3 375.422 -0.280 20 0 GBADHM Cc1nsc(N[C@@H]2C[C@H](C)N(C(=O)Cn3ncnn3)C2)c1-c1nnn[n-]1 ZINC001571118274 952486776 /nfs/dbraw/zinc/48/67/76/952486776.db2.gz UVNVJBLTKOXWMY-IONNQARKSA-N -1 3 375.422 -0.280 20 0 GBADHM Cc1nsc(N[C@@H]2C[C@@H](C)N(C(=O)Cn3ncnn3)C2)c1-c1nnn[n-]1 ZINC001571118276 952486645 /nfs/dbraw/zinc/48/66/45/952486645.db2.gz UVNVJBLTKOXWMY-VXNVDRBHSA-N -1 3 375.422 -0.280 20 0 GBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCO[C@H](CNCc2cnsn2)C1 ZINC001571118309 952486728 /nfs/dbraw/zinc/48/67/28/952486728.db2.gz VIRMXTBETXEXKW-LLVKDONJSA-N -1 3 375.418 -0.323 20 0 GBADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCO[C@H](CNCc2cnsn2)C1 ZINC001571118309 952486726 /nfs/dbraw/zinc/48/67/26/952486726.db2.gz VIRMXTBETXEXKW-LLVKDONJSA-N -1 3 375.418 -0.323 20 0 GBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCO[C@@H](CNCc2cnsn2)C1 ZINC001571118311 952487304 /nfs/dbraw/zinc/48/73/04/952487304.db2.gz VIRMXTBETXEXKW-NSHDSACASA-N -1 3 375.418 -0.323 20 0 GBADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCO[C@@H](CNCc2cnsn2)C1 ZINC001571118311 952487301 /nfs/dbraw/zinc/48/73/01/952487301.db2.gz VIRMXTBETXEXKW-NSHDSACASA-N -1 3 375.418 -0.323 20 0 GBADHM O=S(=O)(CCN1CCCn2nncc2C1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571118347 952486760 /nfs/dbraw/zinc/48/67/60/952486760.db2.gz VRKGXLUQNWGHRE-UHFFFAOYSA-N -1 3 375.418 -0.467 20 0 GBADHM O=S(=O)(CCN1CCCn2nncc2C1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571118347 952486754 /nfs/dbraw/zinc/48/67/54/952486754.db2.gz VRKGXLUQNWGHRE-UHFFFAOYSA-N -1 3 375.418 -0.467 20 0 GBADHM CO[C@@H]1CN(c2nc(C)ns2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571118348 952487198 /nfs/dbraw/zinc/48/71/98/952487198.db2.gz VSQPTEXAEIAEHC-GHMZBOCLSA-N -1 3 375.418 -0.012 20 0 GBADHM CO[C@@H]1CN(c2nc(C)ns2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571118348 952487195 /nfs/dbraw/zinc/48/71/95/952487195.db2.gz VSQPTEXAEIAEHC-GHMZBOCLSA-N -1 3 375.418 -0.012 20 0 GBADHM CO[C@@H]1CN(Cc2nncs2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571118631 952489588 /nfs/dbraw/zinc/48/95/88/952489588.db2.gz XUYJCYRFGALFIY-GHMZBOCLSA-N -1 3 375.418 -0.325 20 0 GBADHM CO[C@@H]1CN(Cc2nncs2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571118631 952489584 /nfs/dbraw/zinc/48/95/84/952489584.db2.gz XUYJCYRFGALFIY-GHMZBOCLSA-N -1 3 375.418 -0.325 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@@H]2O)[nH]n1 ZINC001571118699 952489415 /nfs/dbraw/zinc/48/94/15/952489415.db2.gz YVQLUZNZTRGTNT-ZJUUUORDSA-N -1 3 375.418 -0.357 20 0 GBADHM CN1CCO[C@H](C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571119365 952491455 /nfs/dbraw/zinc/49/14/55/952491455.db2.gz AGLDVIHOKBFBBH-AAEUAGOBSA-N -1 3 376.396 -0.574 20 0 GBADHM CN1CCO[C@H](C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571119365 952491453 /nfs/dbraw/zinc/49/14/53/952491453.db2.gz AGLDVIHOKBFBBH-AAEUAGOBSA-N -1 3 376.396 -0.574 20 0 GBADHM CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571119367 952490524 /nfs/dbraw/zinc/49/05/24/952490524.db2.gz AGLDVIHOKBFBBH-WCQYABFASA-N -1 3 376.396 -0.574 20 0 GBADHM CN1CCO[C@@H](C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571119367 952490520 /nfs/dbraw/zinc/49/05/20/952490520.db2.gz AGLDVIHOKBFBBH-WCQYABFASA-N -1 3 376.396 -0.574 20 0 GBADHM O=C(N[C@@H]1CC(=O)N(C2CN(CCCF)C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571119371 952491409 /nfs/dbraw/zinc/49/14/09/952491409.db2.gz AHBSVGURQACIAF-LLVKDONJSA-N -1 3 376.396 -0.431 20 0 GBADHM O=C(N[C@@H]1CC(=O)N(C2CN(CCCF)C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571119371 952491406 /nfs/dbraw/zinc/49/14/06/952491406.db2.gz AHBSVGURQACIAF-LLVKDONJSA-N -1 3 376.396 -0.431 20 0 GBADHM O=C(N[C@H]1CC(=O)N(C2CN(CCCF)C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571119372 952490836 /nfs/dbraw/zinc/49/08/36/952490836.db2.gz AHBSVGURQACIAF-NSHDSACASA-N -1 3 376.396 -0.431 20 0 GBADHM O=C(N[C@H]1CC(=O)N(C2CN(CCCF)C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571119372 952490832 /nfs/dbraw/zinc/49/08/32/952490832.db2.gz AHBSVGURQACIAF-NSHDSACASA-N -1 3 376.396 -0.431 20 0 GBADHM O=C(N[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1O)[C@@]1(F)CCOC1 ZINC001571119381 952491356 /nfs/dbraw/zinc/49/13/56/952491356.db2.gz AIWWTFYODCJXMV-CKEIUWERSA-N -1 3 376.392 -0.343 20 0 GBADHM O=C(N[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)C[C@H]1O)[C@]1(F)CCOC1 ZINC001571119387 952491438 /nfs/dbraw/zinc/49/14/38/952491438.db2.gz AIWWTFYODCJXMV-CPUCHLNUSA-N -1 3 376.392 -0.343 20 0 GBADHM NS(=O)(=O)N1CCN(C(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)CC1 ZINC001571119448 952491050 /nfs/dbraw/zinc/49/10/50/952491050.db2.gz BMDAEUZYNTXOHF-UHFFFAOYSA-N -1 3 376.402 -0.691 20 0 GBADHM NS(=O)(=O)N1CCN(C(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)CC1 ZINC001571119448 952491045 /nfs/dbraw/zinc/49/10/45/952491045.db2.gz BMDAEUZYNTXOHF-UHFFFAOYSA-N -1 3 376.402 -0.691 20 0 GBADHM O=C(N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O)[C@@H]1CCOC1 ZINC001571119469 952492651 /nfs/dbraw/zinc/49/26/51/952492651.db2.gz BMNXUSDNZOXJNS-KMUNFCNLSA-N -1 3 376.392 -0.296 20 0 GBADHM O=C(N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O)[C@H]1CCOC1 ZINC001571119472 952492023 /nfs/dbraw/zinc/49/20/23/952492023.db2.gz BMNXUSDNZOXJNS-VQISRLSMSA-N -1 3 376.392 -0.296 20 0 GBADHM O=C(CN1CCOCC1)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571119508 952492237 /nfs/dbraw/zinc/49/22/37/952492237.db2.gz CJJLTNSLKIUOFL-GFCCVEGCSA-N -1 3 376.396 -0.572 20 0 GBADHM O=C(CN1CCOCC1)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571119508 952492231 /nfs/dbraw/zinc/49/22/31/952492231.db2.gz CJJLTNSLKIUOFL-GFCCVEGCSA-N -1 3 376.396 -0.572 20 0 GBADHM CN(CCOc1ccc(S(N)(=O)=O)cc1)c1cc(-c2nn[n-]n2)cnn1 ZINC001571119833 952495699 /nfs/dbraw/zinc/49/56/99/952495699.db2.gz GLENKLXCHVJPCK-UHFFFAOYSA-N -1 3 376.402 -0.181 20 0 GBADHM CN(CCOc1ccc(S(N)(=O)=O)cc1)c1cc(-c2nnn[n-]2)cnn1 ZINC001571119833 952495696 /nfs/dbraw/zinc/49/56/96/952495696.db2.gz GLENKLXCHVJPCK-UHFFFAOYSA-N -1 3 376.402 -0.181 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCOC[C@H]1CC(N)=O ZINC001571119894 952497590 /nfs/dbraw/zinc/49/75/90/952497590.db2.gz GQCLPHWGWWHPLM-LLVKDONJSA-N -1 3 376.373 -0.643 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCOC[C@H]1CC(N)=O ZINC001571119894 952497585 /nfs/dbraw/zinc/49/75/85/952497585.db2.gz GQCLPHWGWWHPLM-LLVKDONJSA-N -1 3 376.373 -0.643 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCOC[C@@H]1CC(N)=O ZINC001571119897 952496915 /nfs/dbraw/zinc/49/69/15/952496915.db2.gz GQCLPHWGWWHPLM-NSHDSACASA-N -1 3 376.373 -0.643 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCOC[C@@H]1CC(N)=O ZINC001571119897 952496908 /nfs/dbraw/zinc/49/69/08/952496908.db2.gz GQCLPHWGWWHPLM-NSHDSACASA-N -1 3 376.373 -0.643 20 0 GBADHM COC(=O)[C@@](C)(CO)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001571119931 952497763 /nfs/dbraw/zinc/49/77/63/952497763.db2.gz HDHICIBHHDMCFO-GFCCVEGCSA-N -1 3 375.794 -0.278 20 0 GBADHM COC(=O)[C@@](C)(CO)NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001571119931 952497759 /nfs/dbraw/zinc/49/77/59/952497759.db2.gz HDHICIBHHDMCFO-GFCCVEGCSA-N -1 3 375.794 -0.278 20 0 GBADHM COC(=O)[C@](C)(CO)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001571119932 952497400 /nfs/dbraw/zinc/49/74/00/952497400.db2.gz HDHICIBHHDMCFO-LBPRGKRZSA-N -1 3 375.794 -0.278 20 0 GBADHM COC(=O)[C@](C)(CO)NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001571119932 952497398 /nfs/dbraw/zinc/49/73/98/952497398.db2.gz HDHICIBHHDMCFO-LBPRGKRZSA-N -1 3 375.794 -0.278 20 0 GBADHM C[C@@](Cn1cccn1)(NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C(N)=O ZINC001571120068 952499113 /nfs/dbraw/zinc/49/91/13/952499113.db2.gz HQCSWPABTWGTHW-AWEZNQCLSA-N -1 3 375.780 -0.214 20 0 GBADHM C[C@@](Cn1cccn1)(NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C(N)=O ZINC001571120068 952499110 /nfs/dbraw/zinc/49/91/10/952499110.db2.gz HQCSWPABTWGTHW-AWEZNQCLSA-N -1 3 375.780 -0.214 20 0 GBADHM C[C@](Cn1cccn1)(NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl)C(N)=O ZINC001571120071 952498836 /nfs/dbraw/zinc/49/88/36/952498836.db2.gz HQCSWPABTWGTHW-CQSZACIVSA-N -1 3 375.780 -0.214 20 0 GBADHM C[C@](Cn1cccn1)(NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl)C(N)=O ZINC001571120071 952498834 /nfs/dbraw/zinc/49/88/34/952498834.db2.gz HQCSWPABTWGTHW-CQSZACIVSA-N -1 3 375.780 -0.214 20 0 GBADHM Cc1nc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@@H]2O)co1 ZINC001571120099 952499080 /nfs/dbraw/zinc/49/90/80/952499080.db2.gz JIVPWCVRTRJOPK-SCZZXKLOSA-N -1 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CN(C(=O)[C@@H]1COC(=O)N1)C1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571120182 952500830 /nfs/dbraw/zinc/50/08/30/952500830.db2.gz IYCTWKDYMKCHBG-AMUVOQDHSA-N -1 3 376.352 -0.090 20 0 GBADHM CN(C(=O)[C@H]1COC(=O)N1)C1CC(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571120183 952499947 /nfs/dbraw/zinc/49/99/47/952499947.db2.gz IYCTWKDYMKCHBG-NWGYLPEXSA-N -1 3 376.352 -0.090 20 0 GBADHM CN(C(=O)[C@H]1COC(=O)N1)C1CC(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571120183 952499942 /nfs/dbraw/zinc/49/99/42/952499942.db2.gz IYCTWKDYMKCHBG-NWGYLPEXSA-N -1 3 376.352 -0.090 20 0 GBADHM O=S(=O)(Cc1ccno1)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001571120191 952500120 /nfs/dbraw/zinc/50/01/20/952500120.db2.gz KTSAOGQWYCOWEJ-UHFFFAOYSA-N -1 3 376.402 -0.098 20 0 GBADHM O=S(=O)(Cc1ccno1)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001571120191 952500112 /nfs/dbraw/zinc/50/01/12/952500112.db2.gz KTSAOGQWYCOWEJ-UHFFFAOYSA-N -1 3 376.402 -0.098 20 0 GBADHM COC(=O)C[C@@H](O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571120218 952499930 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376.421 -0.540 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O)[C@@H]1CCCO1 ZINC001571120223 952502693 /nfs/dbraw/zinc/50/26/93/952502693.db2.gz JRUOMMMPLLCDCK-KFWWJZLASA-N -1 3 376.392 -0.154 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O)[C@@H]1CCCO1 ZINC001571120223 952502687 /nfs/dbraw/zinc/50/26/87/952502687.db2.gz JRUOMMMPLLCDCK-KFWWJZLASA-N -1 3 376.392 -0.154 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O)[C@H]1CCCO1 ZINC001571120225 952502537 /nfs/dbraw/zinc/50/25/37/952502537.db2.gz JRUOMMMPLLCDCK-RBSFLKMASA-N -1 3 376.392 -0.154 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O)[C@H]1CCCO1 ZINC001571120225 952502532 /nfs/dbraw/zinc/50/25/32/952502532.db2.gz JRUOMMMPLLCDCK-RBSFLKMASA-N -1 3 376.392 -0.154 20 0 GBADHM Cc1nsc(N2C[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)c1-c1nnn[n-]1 ZINC001571120361 952502315 /nfs/dbraw/zinc/50/23/15/952502315.db2.gz LQWMQLMCYWMZOQ-ZJUUUORDSA-N -1 3 376.402 -0.472 20 0 GBADHM O=C(Cn1ncnn1)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571120454 952503627 /nfs/dbraw/zinc/50/36/27/952503627.db2.gz LOHGZBNNEOMFFZ-SECBINFHSA-N -1 3 375.784 -0.703 20 0 GBADHM O=C(Cn1ncnn1)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571120454 952503623 /nfs/dbraw/zinc/50/36/23/952503623.db2.gz LOHGZBNNEOMFFZ-SECBINFHSA-N -1 3 375.784 -0.703 20 0 GBADHM O=C(N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)c1nccs1 ZINC001571120492 952505762 /nfs/dbraw/zinc/50/57/62/952505762.db2.gz MFAFCHKLKDNTFD-ZJUUUORDSA-N -1 3 376.377 -0.163 20 0 GBADHM O=C(N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)c1nccs1 ZINC001571120492 952505757 /nfs/dbraw/zinc/50/57/57/952505757.db2.gz MFAFCHKLKDNTFD-ZJUUUORDSA-N -1 3 376.377 -0.163 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O)[C@@H]1CCCO1 ZINC001571120534 952505676 /nfs/dbraw/zinc/50/56/76/952505676.db2.gz NAKVHKCRPNHWHV-ILXRZTDVSA-N -1 3 376.392 -0.154 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O)[C@@H]1CCCO1 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377.386 -0.513 20 0 GBADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001571124229 952535435 /nfs/dbraw/zinc/53/54/35/952535435.db2.gz BVXMATHHDAKARQ-UHFFFAOYSA-N -1 3 377.386 -0.513 20 0 GBADHM Cc1nn(CCS(=O)(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)c(=O)o1 ZINC001571124416 952538701 /nfs/dbraw/zinc/53/87/01/952538701.db2.gz IJAAXNZHYLDSOP-UHFFFAOYSA-N -1 3 377.386 -0.330 20 0 GBADHM Cc1nn(CCS(=O)(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)c(=O)o1 ZINC001571124416 952538694 /nfs/dbraw/zinc/53/86/94/952538694.db2.gz IJAAXNZHYLDSOP-UHFFFAOYSA-N -1 3 377.386 -0.330 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571124426 952538410 /nfs/dbraw/zinc/53/84/10/952538410.db2.gz IUMPMHVBPNLFMT-BDJLRTHQSA-N -1 3 377.380 -0.004 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571124426 952538403 /nfs/dbraw/zinc/53/84/03/952538403.db2.gz IUMPMHVBPNLFMT-BDJLRTHQSA-N -1 3 377.380 -0.004 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571124427 952538256 /nfs/dbraw/zinc/53/82/56/952538256.db2.gz IUMPMHVBPNLFMT-BZNIZROVSA-N -1 3 377.380 -0.004 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571124427 952538252 /nfs/dbraw/zinc/53/82/52/952538252.db2.gz IUMPMHVBPNLFMT-BZNIZROVSA-N -1 3 377.380 -0.004 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571124428 952538197 /nfs/dbraw/zinc/53/81/97/952538197.db2.gz IUMPMHVBPNLFMT-MEDUHNTESA-N -1 3 377.380 -0.004 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001571124428 952538192 /nfs/dbraw/zinc/53/81/92/952538192.db2.gz IUMPMHVBPNLFMT-MEDUHNTESA-N -1 3 377.380 -0.004 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571124429 952538241 /nfs/dbraw/zinc/53/82/41/952538241.db2.gz IUMPMHVBPNLFMT-ZBEGNZNMSA-N -1 3 377.380 -0.004 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001571124429 952538236 /nfs/dbraw/zinc/53/82/36/952538236.db2.gz IUMPMHVBPNLFMT-ZBEGNZNMSA-N -1 3 377.380 -0.004 20 0 GBADHM COCC(=O)N1CC[C@]2(C1)CN(c1ncc(-c3nn[n-]n3)cc1F)CCO2 ZINC001571124480 952540040 /nfs/dbraw/zinc/54/00/40/952540040.db2.gz KIHZMLIMMBWJKR-INIZCTEOSA-N -1 3 377.380 -0.145 20 0 GBADHM COCC(=O)N1CC[C@]2(C1)CN(c1ncc(-c3nnn[n-]3)cc1F)CCO2 ZINC001571124480 952540033 /nfs/dbraw/zinc/54/00/33/952540033.db2.gz KIHZMLIMMBWJKR-INIZCTEOSA-N -1 3 377.380 -0.145 20 0 GBADHM COCC(=O)N1CC[C@@]2(C1)CN(c1ncc(-c3nn[n-]n3)cc1F)CCO2 ZINC001571124481 952540510 /nfs/dbraw/zinc/54/05/10/952540510.db2.gz KIHZMLIMMBWJKR-MRXNPFEDSA-N -1 3 377.380 -0.145 20 0 GBADHM COCC(=O)N1CC[C@@]2(C1)CN(c1ncc(-c3nnn[n-]3)cc1F)CCO2 ZINC001571124481 952540509 /nfs/dbraw/zinc/54/05/09/952540509.db2.gz KIHZMLIMMBWJKR-MRXNPFEDSA-N -1 3 377.380 -0.145 20 0 GBADHM Cc1nonc1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1O ZINC001571124514 952540406 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CS(=O)(=O)CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571127133 952550492 /nfs/dbraw/zinc/55/04/92/952550492.db2.gz GYQXBVRXHQEASZ-GXFFZTMASA-N -1 3 377.430 -0.657 20 0 GBADHM CS(=O)(=O)CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571127133 952550489 /nfs/dbraw/zinc/55/04/89/952550489.db2.gz GYQXBVRXHQEASZ-GXFFZTMASA-N -1 3 377.430 -0.657 20 0 GBADHM C[C@]12CN(C(=O)[C@@H](O)c3ccc(-c4nn[n-]n4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001571127194 952551087 /nfs/dbraw/zinc/55/10/87/952551087.db2.gz HTNFYMLGBRJVAZ-HEHGZKQESA-N -1 3 377.426 -0.207 20 0 GBADHM C[C@]12CN(C(=O)[C@@H](O)c3ccc(-c4nnn[n-]4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001571127194 952551081 /nfs/dbraw/zinc/55/10/81/952551081.db2.gz HTNFYMLGBRJVAZ-HEHGZKQESA-N -1 3 377.426 -0.207 20 0 GBADHM C[C@]12CN(C(=O)[C@H](O)c3ccc(-c4nn[n-]n4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001571127195 952551218 /nfs/dbraw/zinc/55/12/18/952551218.db2.gz HTNFYMLGBRJVAZ-WOSRLPQWSA-N -1 3 377.426 -0.207 20 0 GBADHM C[C@]12CN(C(=O)[C@H](O)c3ccc(-c4nnn[n-]4)cc3)C[C@H]1CS(=O)(=O)C2 ZINC001571127195 952551212 /nfs/dbraw/zinc/55/12/12/952551212.db2.gz HTNFYMLGBRJVAZ-WOSRLPQWSA-N -1 3 377.426 -0.207 20 0 GBADHM C[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571127263 952553031 /nfs/dbraw/zinc/55/30/31/952553031.db2.gz IIELDRXJCUHFJI-GXSJLCMTSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571127263 952553026 /nfs/dbraw/zinc/55/30/26/952553026.db2.gz IIELDRXJCUHFJI-GXSJLCMTSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571127265 952553062 /nfs/dbraw/zinc/55/30/62/952553062.db2.gz IIELDRXJCUHFJI-KOLCDFICSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571127265 952553060 /nfs/dbraw/zinc/55/30/60/952553060.db2.gz IIELDRXJCUHFJI-KOLCDFICSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571127267 952552976 /nfs/dbraw/zinc/55/29/76/952552976.db2.gz IIELDRXJCUHFJI-MWLCHTKSSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571127267 952552975 /nfs/dbraw/zinc/55/29/75/952552975.db2.gz IIELDRXJCUHFJI-MWLCHTKSSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571127268 952552810 /nfs/dbraw/zinc/55/28/10/952552810.db2.gz IIELDRXJCUHFJI-ONGXEEELSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)CN1C(=O)C1CS(=O)(=O)C1 ZINC001571127268 952552807 /nfs/dbraw/zinc/55/28/07/952552807.db2.gz IIELDRXJCUHFJI-ONGXEEELSA-N -1 3 377.430 -0.292 20 0 GBADHM Cc1nc(N2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571127296 952552470 /nfs/dbraw/zinc/55/24/70/952552470.db2.gz ITDJDKRGHKXAQK-LLVKDONJSA-N -1 3 377.430 -0.690 20 0 GBADHM Cc1nc(N2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571127296 952552464 /nfs/dbraw/zinc/55/24/64/952552464.db2.gz ITDJDKRGHKXAQK-LLVKDONJSA-N -1 3 377.430 -0.690 20 0 GBADHM CN1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571127340 952554302 /nfs/dbraw/zinc/55/43/02/952554302.db2.gz DTXBWDFNWRCWNP-AAEUAGOBSA-N -1 3 377.474 -0.051 20 0 GBADHM CN1CCO[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571127340 952554300 /nfs/dbraw/zinc/55/43/00/952554300.db2.gz DTXBWDFNWRCWNP-AAEUAGOBSA-N -1 3 377.474 -0.051 20 0 GBADHM CN1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571127341 952553509 /nfs/dbraw/zinc/55/35/09/952553509.db2.gz DTXBWDFNWRCWNP-DGCLKSJQSA-N -1 3 377.474 -0.051 20 0 GBADHM CN1CCO[C@@H](C(=O)NC[C@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571127341 952553504 /nfs/dbraw/zinc/55/35/04/952553504.db2.gz DTXBWDFNWRCWNP-DGCLKSJQSA-N -1 3 377.474 -0.051 20 0 GBADHM CN1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571127342 952554355 /nfs/dbraw/zinc/55/43/55/952554355.db2.gz DTXBWDFNWRCWNP-WCQYABFASA-N -1 3 377.474 -0.051 20 0 GBADHM CN1CCO[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571127342 952554354 /nfs/dbraw/zinc/55/43/54/952554354.db2.gz DTXBWDFNWRCWNP-WCQYABFASA-N -1 3 377.474 -0.051 20 0 GBADHM CN1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571127343 952554232 /nfs/dbraw/zinc/55/42/32/952554232.db2.gz DTXBWDFNWRCWNP-YPMHNXCESA-N -1 3 377.474 -0.051 20 0 GBADHM CN1CCO[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571127343 952554230 /nfs/dbraw/zinc/55/42/30/952554230.db2.gz DTXBWDFNWRCWNP-YPMHNXCESA-N -1 3 377.474 -0.051 20 0 GBADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCCS1(=O)=O ZINC001571127464 952555202 /nfs/dbraw/zinc/55/52/02/952555202.db2.gz JVOCENCGBBATBF-GWCFXTLKSA-N -1 3 377.430 -0.466 20 0 GBADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCCS1(=O)=O ZINC001571127464 952555199 /nfs/dbraw/zinc/55/51/99/952555199.db2.gz JVOCENCGBBATBF-GWCFXTLKSA-N -1 3 377.430 -0.466 20 0 GBADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCCS1(=O)=O ZINC001571127465 952555723 /nfs/dbraw/zinc/55/57/23/952555723.db2.gz JVOCENCGBBATBF-GXFFZTMASA-N -1 3 377.430 -0.466 20 0 GBADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCCS1(=O)=O ZINC001571127465 952555720 /nfs/dbraw/zinc/55/57/20/952555720.db2.gz JVOCENCGBBATBF-GXFFZTMASA-N -1 3 377.430 -0.466 20 0 GBADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCCS1(=O)=O ZINC001571127466 952555283 /nfs/dbraw/zinc/55/52/83/952555283.db2.gz JVOCENCGBBATBF-MFKMUULPSA-N -1 3 377.430 -0.466 20 0 GBADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCCS1(=O)=O ZINC001571127466 952555281 /nfs/dbraw/zinc/55/52/81/952555281.db2.gz JVOCENCGBBATBF-MFKMUULPSA-N -1 3 377.430 -0.466 20 0 GBADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCCS1(=O)=O ZINC001571127467 952554757 /nfs/dbraw/zinc/55/47/57/952554757.db2.gz JVOCENCGBBATBF-ZWNOBZJWSA-N -1 3 377.430 -0.466 20 0 GBADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCCS1(=O)=O ZINC001571127467 952554752 /nfs/dbraw/zinc/55/47/52/952554752.db2.gz JVOCENCGBBATBF-ZWNOBZJWSA-N -1 3 377.430 -0.466 20 0 GBADHM O=C(C1CS(=O)(=O)C1)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571127471 952556674 /nfs/dbraw/zinc/55/66/74/952556674.db2.gz JXDZXDNYRWLPBB-LLVKDONJSA-N -1 3 377.430 -0.291 20 0 GBADHM O=C(C1CS(=O)(=O)C1)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571127471 952556672 /nfs/dbraw/zinc/55/66/72/952556672.db2.gz JXDZXDNYRWLPBB-LLVKDONJSA-N -1 3 377.430 -0.291 20 0 GBADHM O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571127480 952556253 /nfs/dbraw/zinc/55/62/53/952556253.db2.gz KOGHOCWRMPZYNH-CMPLNLGQSA-N -1 3 377.430 -0.291 20 0 GBADHM O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571127480 952556247 /nfs/dbraw/zinc/55/62/47/952556247.db2.gz KOGHOCWRMPZYNH-CMPLNLGQSA-N -1 3 377.430 -0.291 20 0 GBADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571127481 952556873 /nfs/dbraw/zinc/55/68/73/952556873.db2.gz KOGHOCWRMPZYNH-ZYHUDNBSSA-N -1 3 377.430 -0.291 20 0 GBADHM O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571127481 952556871 /nfs/dbraw/zinc/55/68/71/952556871.db2.gz KOGHOCWRMPZYNH-ZYHUDNBSSA-N -1 3 377.430 -0.291 20 0 GBADHM O=C(NC1CC(CNc2ccc(-c3nn[n-]n3)nc2)C1)C1CS(=O)(=O)C1 ZINC001571127495 952556589 /nfs/dbraw/zinc/55/65/89/952556589.db2.gz KVNCAFNJOURWMC-UHFFFAOYSA-N -1 3 377.430 -0.387 20 0 GBADHM O=C(NC1CC(CNc2ccc(-c3nnn[n-]3)nc2)C1)C1CS(=O)(=O)C1 ZINC001571127495 952556586 /nfs/dbraw/zinc/55/65/86/952556586.db2.gz KVNCAFNJOURWMC-UHFFFAOYSA-N -1 3 377.430 -0.387 20 0 GBADHM CCN1CCO[C@@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571127602 952558366 /nfs/dbraw/zinc/55/83/66/952558366.db2.gz JOBGNXVOESABLW-CYBMUJFWSA-N -1 3 377.474 -0.051 20 0 GBADHM CCN1CCO[C@@H](C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571127602 952558361 /nfs/dbraw/zinc/55/83/61/952558361.db2.gz JOBGNXVOESABLW-CYBMUJFWSA-N -1 3 377.474 -0.051 20 0 GBADHM CCN1CCO[C@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001571127603 952558495 /nfs/dbraw/zinc/55/84/95/952558495.db2.gz JOBGNXVOESABLW-ZDUSSCGKSA-N -1 3 377.474 -0.051 20 0 GBADHM CCN1CCO[C@H](C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571127603 952558489 /nfs/dbraw/zinc/55/84/89/952558489.db2.gz JOBGNXVOESABLW-ZDUSSCGKSA-N -1 3 377.474 -0.051 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001571127688 952559567 /nfs/dbraw/zinc/55/95/67/952559567.db2.gz MAAPTUNEUREYMY-LLVKDONJSA-N -1 3 377.430 -0.690 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001571127688 952559565 /nfs/dbraw/zinc/55/95/65/952559565.db2.gz MAAPTUNEUREYMY-LLVKDONJSA-N -1 3 377.430 -0.690 20 0 GBADHM Cc1nsc(N2CCC(NC(=O)[C@H]3CNC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571127749 952560028 /nfs/dbraw/zinc/56/00/28/952560028.db2.gz MLXOXCFQIYMFOL-SECBINFHSA-N -1 3 377.434 -0.602 20 0 GBADHM Cc1nsc(N2CCC(NC(=O)[C@@H]3CNC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571127752 952559598 /nfs/dbraw/zinc/55/95/98/952559598.db2.gz MLXOXCFQIYMFOL-VIFPVBQESA-N -1 3 377.434 -0.602 20 0 GBADHM Cn1cc(C[C@@H](CO)NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001571127789 952560003 /nfs/dbraw/zinc/56/00/03/952560003.db2.gz NFCFVXRUBRZCKU-AWEZNQCLSA-N -1 3 377.430 -0.377 20 0 GBADHM Cn1cc(C[C@@H](CO)NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001571127789 952559998 /nfs/dbraw/zinc/55/99/98/952559998.db2.gz NFCFVXRUBRZCKU-AWEZNQCLSA-N -1 3 377.430 -0.377 20 0 GBADHM Cn1cc(C[C@H](CO)NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC001571127791 952559193 /nfs/dbraw/zinc/55/91/93/952559193.db2.gz NFCFVXRUBRZCKU-CQSZACIVSA-N -1 3 377.430 -0.377 20 0 GBADHM Cn1cc(C[C@H](CO)NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC001571127791 952559188 /nfs/dbraw/zinc/55/91/88/952559188.db2.gz NFCFVXRUBRZCKU-CQSZACIVSA-N -1 3 377.430 -0.377 20 0 GBADHM CC(=O)N1CCN(c2nc(C)ccc2-c2nn[n-]n2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001571127821 952561242 /nfs/dbraw/zinc/56/12/42/952561242.db2.gz OGBGWKBLNVGIGH-OLZOCXBDSA-N -1 3 377.430 -0.596 20 0 GBADHM CC(=O)N1CCN(c2nc(C)ccc2-c2nnn[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001571127821 952561238 /nfs/dbraw/zinc/56/12/38/952561238.db2.gz OGBGWKBLNVGIGH-OLZOCXBDSA-N -1 3 377.430 -0.596 20 0 GBADHM C[C@]1(NC(=O)C2CS(=O)(=O)C2)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571128187 952564698 /nfs/dbraw/zinc/56/46/98/952564698.db2.gz QFWTVBLLEZYUPT-HNNXBMFYSA-N -1 3 377.430 -0.609 20 0 GBADHM C[C@]1(NC(=O)C2CS(=O)(=O)C2)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571128187 952564695 /nfs/dbraw/zinc/56/46/95/952564695.db2.gz QFWTVBLLEZYUPT-HNNXBMFYSA-N -1 3 377.430 -0.609 20 0 GBADHM C[C@@]1(NC(=O)C2CS(=O)(=O)C2)CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571128188 952564738 /nfs/dbraw/zinc/56/47/38/952564738.db2.gz QFWTVBLLEZYUPT-OAHLLOKOSA-N -1 3 377.430 -0.609 20 0 GBADHM C[C@@]1(NC(=O)C2CS(=O)(=O)C2)CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571128188 952564735 /nfs/dbraw/zinc/56/47/35/952564735.db2.gz QFWTVBLLEZYUPT-OAHLLOKOSA-N -1 3 377.430 -0.609 20 0 GBADHM O=C(CC1CS(=O)(=O)C1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571128199 952564891 /nfs/dbraw/zinc/56/48/91/952564891.db2.gz QLGKATXTTWBRMW-GFCCVEGCSA-N -1 3 377.430 -0.291 20 0 GBADHM O=C(CC1CS(=O)(=O)C1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571128199 952564889 /nfs/dbraw/zinc/56/48/89/952564889.db2.gz QLGKATXTTWBRMW-GFCCVEGCSA-N -1 3 377.430 -0.291 20 0 GBADHM CCC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001571128204 952565248 /nfs/dbraw/zinc/56/52/48/952565248.db2.gz QTWBRFJHCAHQPS-NWDGAFQWSA-N -1 3 377.430 -0.514 20 0 GBADHM CCC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001571128204 952565245 /nfs/dbraw/zinc/56/52/45/952565245.db2.gz QTWBRFJHCAHQPS-NWDGAFQWSA-N -1 3 377.430 -0.514 20 0 GBADHM O=C(C1CS(=O)(=O)C1)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571128213 952565369 /nfs/dbraw/zinc/56/53/69/952565369.db2.gz RBTDQDGUXNVEQK-LBPRGKRZSA-N -1 3 377.430 -0.291 20 0 GBADHM O=C(C1CS(=O)(=O)C1)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571128213 952565366 /nfs/dbraw/zinc/56/53/66/952565366.db2.gz RBTDQDGUXNVEQK-LBPRGKRZSA-N -1 3 377.430 -0.291 20 0 GBADHM O=C([C@H]1CCCS1(=O)=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571128445 952566820 /nfs/dbraw/zinc/56/68/20/952566820.db2.gz SMSPRXQCCGBDCB-NWDGAFQWSA-N -1 3 377.430 -0.148 20 0 GBADHM O=C([C@H]1CCCS1(=O)=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571128445 952566816 /nfs/dbraw/zinc/56/68/16/952566816.db2.gz SMSPRXQCCGBDCB-NWDGAFQWSA-N -1 3 377.430 -0.148 20 0 GBADHM O=C([C@@H]1CCCS1(=O)=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571128446 952566784 /nfs/dbraw/zinc/56/67/84/952566784.db2.gz SMSPRXQCCGBDCB-RYUDHWBXSA-N -1 3 377.430 -0.148 20 0 GBADHM O=C([C@@H]1CCCS1(=O)=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571128446 952566779 /nfs/dbraw/zinc/56/67/79/952566779.db2.gz SMSPRXQCCGBDCB-RYUDHWBXSA-N -1 3 377.430 -0.148 20 0 GBADHM O=C(C1CS(=O)(=O)C1)N1CCCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571128468 952567400 /nfs/dbraw/zinc/56/74/00/952567400.db2.gz TZPRNXFFOHVFSH-UHFFFAOYSA-N -1 3 377.430 -0.655 20 0 GBADHM O=C(C1CS(=O)(=O)C1)N1CCCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571128468 952567398 /nfs/dbraw/zinc/56/73/98/952567398.db2.gz TZPRNXFFOHVFSH-UHFFFAOYSA-N -1 3 377.430 -0.655 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](CO)Cc1cnn(C)c1 ZINC001571128471 952567461 /nfs/dbraw/zinc/56/74/61/952567461.db2.gz UCPJGQRNZJIKRF-CYBMUJFWSA-N -1 3 377.430 -0.209 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](CO)Cc1cnn(C)c1 ZINC001571128471 952567459 /nfs/dbraw/zinc/56/74/59/952567459.db2.gz UCPJGQRNZJIKRF-CYBMUJFWSA-N -1 3 377.430 -0.209 20 0 GBADHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@H](CO)Cc1cnn(C)c1 ZINC001571128472 952566972 /nfs/dbraw/zinc/56/69/72/952566972.db2.gz UCPJGQRNZJIKRF-ZDUSSCGKSA-N -1 3 377.430 -0.209 20 0 GBADHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@H](CO)Cc1cnn(C)c1 ZINC001571128472 952566962 /nfs/dbraw/zinc/56/69/62/952566962.db2.gz UCPJGQRNZJIKRF-ZDUSSCGKSA-N -1 3 377.430 -0.209 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001571128497 952568288 /nfs/dbraw/zinc/56/82/88/952568288.db2.gz UWMUXQVNIKLVQA-NOZJJQNGSA-N -1 3 377.430 -0.435 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001571128497 952568284 /nfs/dbraw/zinc/56/82/84/952568284.db2.gz UWMUXQVNIKLVQA-NOZJJQNGSA-N -1 3 377.430 -0.435 20 0 GBADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)C1CS(=O)(=O)C1 ZINC001571128499 952568603 /nfs/dbraw/zinc/56/86/03/952568603.db2.gz UXVVNYDESOAGCF-GFCCVEGCSA-N -1 3 377.430 -0.609 20 0 GBADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)C1CS(=O)(=O)C1 ZINC001571128499 952568601 /nfs/dbraw/zinc/56/86/01/952568601.db2.gz UXVVNYDESOAGCF-GFCCVEGCSA-N -1 3 377.430 -0.609 20 0 GBADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)C1CS(=O)(=O)C1 ZINC001571128500 952568819 /nfs/dbraw/zinc/56/88/19/952568819.db2.gz UXVVNYDESOAGCF-LBPRGKRZSA-N -1 3 377.430 -0.609 20 0 GBADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)C1CS(=O)(=O)C1 ZINC001571128500 952568817 /nfs/dbraw/zinc/56/88/17/952568817.db2.gz UXVVNYDESOAGCF-LBPRGKRZSA-N -1 3 377.430 -0.609 20 0 GBADHM CN1CCO[C@@H](C(=O)N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571128732 952569624 /nfs/dbraw/zinc/56/96/24/952569624.db2.gz XFZBEKVYSIATSA-DGCLKSJQSA-N -1 3 377.474 -0.051 20 0 GBADHM CN1CCO[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001571128737 952569424 /nfs/dbraw/zinc/56/94/24/952569424.db2.gz XFZBEKVYSIATSA-YPMHNXCESA-N -1 3 377.474 -0.051 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001571128876 952571876 /nfs/dbraw/zinc/57/18/76/952571876.db2.gz XKBCMJFBSJYOOF-XYPYZODXSA-N -1 3 377.430 -0.326 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001571128876 952571869 /nfs/dbraw/zinc/57/18/69/952571869.db2.gz XKBCMJFBSJYOOF-XYPYZODXSA-N -1 3 377.430 -0.326 20 0 GBADHM O=C(N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@H]1CNC(=O)N1 ZINC001571128899 952572186 /nfs/dbraw/zinc/57/21/86/952572186.db2.gz YLJWADNJMFBWAR-PSASIEDQSA-N -1 3 377.796 -0.709 20 0 GBADHM O=C(N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@H]1CNC(=O)N1 ZINC001571128899 952572184 /nfs/dbraw/zinc/57/21/84/952572184.db2.gz YLJWADNJMFBWAR-PSASIEDQSA-N -1 3 377.796 -0.709 20 0 GBADHM O=C(N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@@H]1CNC(=O)N1 ZINC001571128910 952572125 /nfs/dbraw/zinc/57/21/25/952572125.db2.gz YLJWADNJMFBWAR-SCZZXKLOSA-N -1 3 377.796 -0.709 20 0 GBADHM O=C(N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@@H]1CNC(=O)N1 ZINC001571128910 952572123 /nfs/dbraw/zinc/57/21/23/952572123.db2.gz YLJWADNJMFBWAR-SCZZXKLOSA-N -1 3 377.796 -0.709 20 0 GBADHM Cc1nsc(N2CC[C@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571128933 952571780 /nfs/dbraw/zinc/57/17/80/952571780.db2.gz YGBUADHMCSYROP-BDAKNGLRSA-N -1 3 377.434 -0.744 20 0 GBADHM Cc1nsc(N2CC[C@@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571128941 952571844 /nfs/dbraw/zinc/57/18/44/952571844.db2.gz YGBUADHMCSYROP-DTWKUNHWSA-N -1 3 377.434 -0.744 20 0 GBADHM Cc1nsc(N2CC[C@@H](CNC(=O)[C@@H]3CNC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571128943 952572091 /nfs/dbraw/zinc/57/20/91/952572091.db2.gz YGBUADHMCSYROP-IUCAKERBSA-N -1 3 377.434 -0.744 20 0 GBADHM Cc1nsc(N2CC[C@H](CNC(=O)[C@H]3CNC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571128945 952572069 /nfs/dbraw/zinc/57/20/69/952572069.db2.gz YGBUADHMCSYROP-RKDXNWHRSA-N -1 3 377.434 -0.744 20 0 GBADHM NC(=O)c1cccc(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC001571129160 952572964 /nfs/dbraw/zinc/57/29/64/952572964.db2.gz AIQKHDVNFQQASO-UHFFFAOYSA-N -1 3 378.396 -0.025 20 0 GBADHM NC(=O)c1cccc(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC001571129160 952572958 /nfs/dbraw/zinc/57/29/58/952572958.db2.gz AIQKHDVNFQQASO-UHFFFAOYSA-N -1 3 378.396 -0.025 20 0 GBADHM O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccncc1-c1nn[n-]n1 ZINC001571129473 952574163 /nfs/dbraw/zinc/57/41/63/952574163.db2.gz DQJXGGLRQCCRGF-ZDUSSCGKSA-N -1 3 378.352 -0.237 20 0 GBADHM O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ccncc1-c1nnn[n-]1 ZINC001571129473 952574160 /nfs/dbraw/zinc/57/41/60/952574160.db2.gz DQJXGGLRQCCRGF-ZDUSSCGKSA-N -1 3 378.352 -0.237 20 0 GBADHM Cn1ccc(=O)c(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)c1 ZINC001571129839 952577532 /nfs/dbraw/zinc/57/75/32/952577532.db2.gz KJKCMMMULSYFEM-JYAVWHMHSA-N -1 3 378.396 -0.175 20 0 GBADHM Cn1ccc(=O)c(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)c1 ZINC001571129839 952577528 /nfs/dbraw/zinc/57/75/28/952577528.db2.gz KJKCMMMULSYFEM-JYAVWHMHSA-N -1 3 378.396 -0.175 20 0 GBADHM CCn1cc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)c(=O)[nH]c1=O ZINC001571129891 952577520 /nfs/dbraw/zinc/57/75/20/952577520.db2.gz KWWQDDSQLPVBFX-UHFFFAOYSA-N -1 3 378.374 -0.978 20 0 GBADHM CCn1cc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)c(=O)[nH]c1=O ZINC001571129891 952577517 /nfs/dbraw/zinc/57/75/17/952577517.db2.gz KWWQDDSQLPVBFX-UHFFFAOYSA-N -1 3 378.374 -0.978 20 0 GBADHM NC(=O)c1ccc(CC(=O)N2CC(=O)Nc3ccc(-c4nn[n-]n4)cc32)cn1 ZINC001571130032 952578855 /nfs/dbraw/zinc/57/88/55/952578855.db2.gz NGBJPVSDWPGLSR-UHFFFAOYSA-N -1 3 378.352 -0.112 20 0 GBADHM NC(=O)c1ccc(CC(=O)N2CC(=O)Nc3ccc(-c4nnn[n-]4)cc32)cn1 ZINC001571130032 952578851 /nfs/dbraw/zinc/57/88/51/952578851.db2.gz NGBJPVSDWPGLSR-UHFFFAOYSA-N -1 3 378.352 -0.112 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)Nc1cnc2c(c1)CNC2=O ZINC001571130489 952580644 /nfs/dbraw/zinc/58/06/44/952580644.db2.gz RRCFEOBJCXQQHF-UHFFFAOYSA-N -1 3 378.352 -0.126 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)Nc1cnc2c(c1)CNC2=O ZINC001571130489 952580639 /nfs/dbraw/zinc/58/06/39/952580639.db2.gz RRCFEOBJCXQQHF-UHFFFAOYSA-N -1 3 378.352 -0.126 20 0 GBADHM NC(=O)c1ccc(C(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)nc1 ZINC001571130518 952580376 /nfs/dbraw/zinc/58/03/76/952580376.db2.gz SDEDYUSFEDGKNS-UHFFFAOYSA-N -1 3 378.396 -0.025 20 0 GBADHM NC(=O)c1ccc(C(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)nc1 ZINC001571130518 952580371 /nfs/dbraw/zinc/58/03/71/952580371.db2.gz SDEDYUSFEDGKNS-UHFFFAOYSA-N -1 3 378.396 -0.025 20 0 GBADHM O=C(Cn1ccccc1=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571130863 952582736 /nfs/dbraw/zinc/58/27/36/952582736.db2.gz XKQDRXYNAJCTON-LAQFHYBYSA-N -1 3 378.396 -0.326 20 0 GBADHM O=C(Cn1ccccc1=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571130863 952582732 /nfs/dbraw/zinc/58/27/32/952582732.db2.gz XKQDRXYNAJCTON-LAQFHYBYSA-N -1 3 378.396 -0.326 20 0 GBADHM COC(=O)CNC(=O)CNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001571130903 952583085 /nfs/dbraw/zinc/58/30/85/952583085.db2.gz YEMBMJHOLYTCBV-UHFFFAOYSA-N -1 3 378.393 -0.166 20 0 GBADHM COC(=O)CNC(=O)CNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001571130903 952583083 /nfs/dbraw/zinc/58/30/83/952583083.db2.gz YEMBMJHOLYTCBV-UHFFFAOYSA-N -1 3 378.393 -0.166 20 0 GBADHM C[C@@H]1CN(C(C)(C)CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC001571135373 952602405 /nfs/dbraw/zinc/60/24/05/952602405.db2.gz UVQZKTCKZQYZLW-AOOOYVTPSA-N -1 3 378.437 -0.034 20 0 GBADHM C[C@@H]1CN(C(C)(C)CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001571135376 952603900 /nfs/dbraw/zinc/60/39/00/952603900.db2.gz UVQZKTCKZQYZLW-NXEZZACHSA-N -1 3 378.437 -0.034 20 0 GBADHM C[C@H]1CN(C(C)(C)CNc2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)C[C@H](C)O1 ZINC001571135378 952603661 /nfs/dbraw/zinc/60/36/61/952603661.db2.gz UVQZKTCKZQYZLW-UWVGGRQHSA-N -1 3 378.437 -0.034 20 0 GBADHM Cc1cc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC001571135730 952607713 /nfs/dbraw/zinc/60/77/13/952607713.db2.gz CDJRVENTNWUDOA-CHWSQXEVSA-N -1 3 378.414 -0.547 20 0 GBADHM Cc1cc(S(=O)(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC001571135730 952607710 /nfs/dbraw/zinc/60/77/10/952607710.db2.gz CDJRVENTNWUDOA-CHWSQXEVSA-N -1 3 378.414 -0.547 20 0 GBADHM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571135793 952609122 /nfs/dbraw/zinc/60/91/22/952609122.db2.gz DUDYWZNYIVJELO-SKDRFNHKSA-N -1 3 378.414 -0.854 20 0 GBADHM C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571135793 952609119 /nfs/dbraw/zinc/60/91/19/952609119.db2.gz DUDYWZNYIVJELO-SKDRFNHKSA-N -1 3 378.414 -0.854 20 0 GBADHM Nc1nccnc1C(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571135882 952609698 /nfs/dbraw/zinc/60/96/98/952609698.db2.gz GXKVJHGMMCDNPF-GXFFZTMASA-N -1 3 378.400 -0.015 20 0 GBADHM Nc1nccnc1C(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571135882 952609696 /nfs/dbraw/zinc/60/96/96/952609696.db2.gz GXKVJHGMMCDNPF-GXFFZTMASA-N -1 3 378.400 -0.015 20 0 GBADHM Cc1nsc(N(C)[C@@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571135960 952611177 /nfs/dbraw/zinc/61/11/77/952611177.db2.gz JHMKRCNZVSKJIZ-BDAKNGLRSA-N -1 3 378.418 -0.223 20 0 GBADHM Cc1nsc(N(C)[C@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571135961 952610792 /nfs/dbraw/zinc/61/07/92/952610792.db2.gz JHMKRCNZVSKJIZ-DTWKUNHWSA-N -1 3 378.418 -0.223 20 0 GBADHM Cc1nsc(N(C)[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571135962 952610899 /nfs/dbraw/zinc/61/08/99/952610899.db2.gz JHMKRCNZVSKJIZ-IUCAKERBSA-N -1 3 378.418 -0.223 20 0 GBADHM Cc1nsc(N(C)[C@@H]2CCN(C(=O)[C@H]3COC(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571135963 952611287 /nfs/dbraw/zinc/61/12/87/952611287.db2.gz JHMKRCNZVSKJIZ-RKDXNWHRSA-N -1 3 378.418 -0.223 20 0 GBADHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001571135969 952610744 /nfs/dbraw/zinc/61/07/44/952610744.db2.gz JLZDHOLAOYLVDZ-NEPJUHHUSA-N -1 3 378.414 -0.402 20 0 GBADHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 ZINC001571135969 952610741 /nfs/dbraw/zinc/61/07/41/952610741.db2.gz JLZDHOLAOYLVDZ-NEPJUHHUSA-N -1 3 378.414 -0.402 20 0 GBADHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001571135970 952611188 /nfs/dbraw/zinc/61/11/88/952611188.db2.gz JLZDHOLAOYLVDZ-NWDGAFQWSA-N -1 3 378.414 -0.402 20 0 GBADHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 ZINC001571135970 952611184 /nfs/dbraw/zinc/61/11/84/952611184.db2.gz JLZDHOLAOYLVDZ-NWDGAFQWSA-N -1 3 378.414 -0.402 20 0 GBADHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001571135971 952611004 /nfs/dbraw/zinc/61/10/04/952611004.db2.gz JLZDHOLAOYLVDZ-RYUDHWBXSA-N -1 3 378.414 -0.402 20 0 GBADHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 ZINC001571135971 952611001 /nfs/dbraw/zinc/61/10/01/952611001.db2.gz JLZDHOLAOYLVDZ-RYUDHWBXSA-N -1 3 378.414 -0.402 20 0 GBADHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001571135972 952610875 /nfs/dbraw/zinc/61/08/75/952610875.db2.gz JLZDHOLAOYLVDZ-VXGBXAGGSA-N -1 3 378.414 -0.402 20 0 GBADHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 ZINC001571135972 952610872 /nfs/dbraw/zinc/61/08/72/952610872.db2.gz JLZDHOLAOYLVDZ-VXGBXAGGSA-N -1 3 378.414 -0.402 20 0 GBADHM Cn1cc(C[C@@H](CO)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001571136640 952616322 /nfs/dbraw/zinc/61/63/22/952616322.db2.gz UEHOASKKIDADNW-LLVKDONJSA-N -1 3 378.418 -0.875 20 0 GBADHM Cn1cc(C[C@@H](CO)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001571136640 952616319 /nfs/dbraw/zinc/61/63/19/952616319.db2.gz UEHOASKKIDADNW-LLVKDONJSA-N -1 3 378.418 -0.875 20 0 GBADHM Cn1cc(C[C@H](CO)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001571136641 952615768 /nfs/dbraw/zinc/61/57/68/952615768.db2.gz UEHOASKKIDADNW-NSHDSACASA-N -1 3 378.418 -0.875 20 0 GBADHM Cn1cc(C[C@H](CO)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001571136641 952615764 /nfs/dbraw/zinc/61/57/64/952615764.db2.gz UEHOASKKIDADNW-NSHDSACASA-N -1 3 378.418 -0.875 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](CCC(=O)Nc2nc3n(c2-c2nn[n-]n2)CCS3)O1 ZINC001571136755 952615914 /nfs/dbraw/zinc/61/59/14/952615914.db2.gz UJBRDCRULINAAK-SFYZADRCSA-N -1 3 378.418 -0.080 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](CCC(=O)Nc2nc3n(c2-c2nnn[n-]2)CCS3)O1 ZINC001571136755 952615908 /nfs/dbraw/zinc/61/59/08/952615908.db2.gz UJBRDCRULINAAK-SFYZADRCSA-N -1 3 378.418 -0.080 20 0 GBADHM CN(CCS(N)(=O)=O)S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001571136835 952616940 /nfs/dbraw/zinc/61/69/40/952616940.db2.gz XTMQMPGBRRBVNS-UHFFFAOYSA-N -1 3 378.411 -0.944 20 0 GBADHM CN(CCS(N)(=O)=O)S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001571136835 952616939 /nfs/dbraw/zinc/61/69/39/952616939.db2.gz XTMQMPGBRRBVNS-UHFFFAOYSA-N -1 3 378.411 -0.944 20 0 GBADHM CC(=O)C1(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571136836 952616783 /nfs/dbraw/zinc/61/67/83/952616783.db2.gz XTNSDEPTPYYJCQ-SECBINFHSA-N -1 3 378.414 -0.229 20 0 GBADHM CC(=O)C1(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571136836 952616782 /nfs/dbraw/zinc/61/67/82/952616782.db2.gz XTNSDEPTPYYJCQ-SECBINFHSA-N -1 3 378.414 -0.229 20 0 GBADHM CC(=O)C1(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571136837 952617165 /nfs/dbraw/zinc/61/71/65/952617165.db2.gz XTNSDEPTPYYJCQ-VIFPVBQESA-N -1 3 378.414 -0.229 20 0 GBADHM CC(=O)C1(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571136837 952617160 /nfs/dbraw/zinc/61/71/60/952617160.db2.gz XTNSDEPTPYYJCQ-VIFPVBQESA-N -1 3 378.414 -0.229 20 0 GBADHM NC(=O)C1CC2(C1)C[C@@H](Nc1ncncc1-c1nnn[n-]1)CCS2(=O)=O ZINC001571137020 952618635 /nfs/dbraw/zinc/61/86/35/952618635.db2.gz ZRRFDICXHJOQHZ-PUUHTONNSA-N -1 3 378.418 -0.720 20 0 GBADHM NC(=O)C1CC2(C1)C[C@H](Nc1ncncc1-c1nnn[n-]1)CCS2(=O)=O ZINC001571137021 952617926 /nfs/dbraw/zinc/61/79/26/952617926.db2.gz ZRRFDICXHJOQHZ-ZYTOWTHASA-N -1 3 378.418 -0.720 20 0 GBADHM O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571138987 952618617 /nfs/dbraw/zinc/61/86/17/952618617.db2.gz AOTJYZSYHSXPTA-PHIMTYICSA-N -1 3 379.384 -0.447 20 0 GBADHM O=C(c1c[nH]c(=O)cn1)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571138987 952618616 /nfs/dbraw/zinc/61/86/16/952618616.db2.gz AOTJYZSYHSXPTA-PHIMTYICSA-N -1 3 379.384 -0.447 20 0 GBADHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCCS(=O)(=O)C(F)(F)F ZINC001571139033 952618653 /nfs/dbraw/zinc/61/86/53/952618653.db2.gz AXIPFPXJAPUCQN-UHFFFAOYSA-N -1 3 379.324 -0.276 20 0 GBADHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCCS(=O)(=O)C(F)(F)F ZINC001571139033 952618649 /nfs/dbraw/zinc/61/86/49/952618649.db2.gz AXIPFPXJAPUCQN-UHFFFAOYSA-N -1 3 379.324 -0.276 20 0 GBADHM NC(=O)c1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nc2)c1 ZINC001571139085 952619649 /nfs/dbraw/zinc/61/96/49/952619649.db2.gz BQSOKMDWPOGAHR-RYUDHWBXSA-N -1 3 379.384 -0.208 20 0 GBADHM NC(=O)c1c[nH]c(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001571139085 952619647 /nfs/dbraw/zinc/61/96/47/952619647.db2.gz BQSOKMDWPOGAHR-RYUDHWBXSA-N -1 3 379.384 -0.208 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)c1ccncn1 ZINC001571139260 952619677 /nfs/dbraw/zinc/61/96/77/952619677.db2.gz DLDBOCAPIFNWKC-CNDDSTCGSA-N -1 3 379.384 -0.267 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)c1ccncn1 ZINC001571139260 952619674 /nfs/dbraw/zinc/61/96/74/952619674.db2.gz DLDBOCAPIFNWKC-CNDDSTCGSA-N -1 3 379.384 -0.267 20 0 GBADHM O=C(c1c[nH]c(=O)cn1)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571139288 952619577 /nfs/dbraw/zinc/61/95/77/952619577.db2.gz FDIATSYWDAIRCM-GXFFZTMASA-N -1 3 379.384 -0.304 20 0 GBADHM O=C(c1c[nH]c(=O)cn1)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571139288 952619575 /nfs/dbraw/zinc/61/95/75/952619575.db2.gz FDIATSYWDAIRCM-GXFFZTMASA-N -1 3 379.384 -0.304 20 0 GBADHM NC(=O)c1ccc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)nc1 ZINC001571139295 952620322 /nfs/dbraw/zinc/62/03/22/952620322.db2.gz FIILQPNDYPZOGJ-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM NC(=O)c1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)nc1 ZINC001571139295 952620320 /nfs/dbraw/zinc/62/03/20/952620320.db2.gz FIILQPNDYPZOGJ-UHFFFAOYSA-N -1 3 379.384 -0.282 20 0 GBADHM O=S(=O)(N[C@@H]1COC[C@@H]1O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001571139356 952620342 /nfs/dbraw/zinc/62/03/42/952620342.db2.gz GOSAYGIOVHBMOZ-BDAKNGLRSA-N -1 3 379.320 -0.077 20 0 GBADHM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571139569 952621289 /nfs/dbraw/zinc/62/12/89/952621289.db2.gz IMLUGCSKFMKRMV-GFCCVEGCSA-N -1 3 379.384 -0.236 20 0 GBADHM NC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571139569 952621287 /nfs/dbraw/zinc/62/12/87/952621287.db2.gz IMLUGCSKFMKRMV-GFCCVEGCSA-N -1 3 379.384 -0.236 20 0 GBADHM NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001571139570 952621113 /nfs/dbraw/zinc/62/11/13/952621113.db2.gz IMLUGCSKFMKRMV-LBPRGKRZSA-N -1 3 379.384 -0.236 20 0 GBADHM NC(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001571139570 952621110 /nfs/dbraw/zinc/62/11/10/952621110.db2.gz IMLUGCSKFMKRMV-LBPRGKRZSA-N -1 3 379.384 -0.236 20 0 GBADHM Cc1ncncc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571139579 952621470 /nfs/dbraw/zinc/62/14/70/952621470.db2.gz IWMVTTAXQCHNTJ-IMRBUKKESA-N -1 3 379.384 -0.206 20 0 GBADHM Cc1ncncc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571139579 952621466 /nfs/dbraw/zinc/62/14/66/952621466.db2.gz IWMVTTAXQCHNTJ-IMRBUKKESA-N -1 3 379.384 -0.206 20 0 GBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1C[C@@H]2CCN(C(=O)c3cccnn3)[C@@H]2C1 ZINC001571139581 952620948 /nfs/dbraw/zinc/62/09/48/952620948.db2.gz IYNFVBUKXVTQQZ-IINYFYTJSA-N -1 3 379.384 -0.029 20 0 GBADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1C[C@@H]2CCN(C(=O)c3cccnn3)[C@@H]2C1 ZINC001571139581 952620946 /nfs/dbraw/zinc/62/09/46/952620946.db2.gz IYNFVBUKXVTQQZ-IINYFYTJSA-N -1 3 379.384 -0.029 20 0 GBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC2(CN(C(=O)c3ccnnc3)C2)C1 ZINC001571139599 952620959 /nfs/dbraw/zinc/62/09/59/952620959.db2.gz JNMVUPJLENSEIA-UHFFFAOYSA-N -1 3 379.384 -0.027 20 0 GBADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC2(CN(C(=O)c3ccnnc3)C2)C1 ZINC001571139599 952620955 /nfs/dbraw/zinc/62/09/55/952620955.db2.gz JNMVUPJLENSEIA-UHFFFAOYSA-N -1 3 379.384 -0.027 20 0 GBADHM Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cnn1 ZINC001571139616 952621414 /nfs/dbraw/zinc/62/14/14/952621414.db2.gz JXBRXRZNGHGTOZ-IMRBUKKESA-N -1 3 379.384 -0.206 20 0 GBADHM Cc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cnn1 ZINC001571139616 952621411 /nfs/dbraw/zinc/62/14/11/952621411.db2.gz JXBRXRZNGHGTOZ-IMRBUKKESA-N -1 3 379.384 -0.206 20 0 GBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]2CN(C(=O)c3ncccn3)C[C@H]21 ZINC001571140000 952622223 /nfs/dbraw/zinc/62/22/23/952622223.db2.gz MPKHJUWCKNVSEF-GXFFZTMASA-N -1 3 379.384 -0.029 20 0 GBADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H]2CN(C(=O)c3ncccn3)C[C@H]21 ZINC001571140000 952622220 /nfs/dbraw/zinc/62/22/20/952622220.db2.gz MPKHJUWCKNVSEF-GXFFZTMASA-N -1 3 379.384 -0.029 20 0 GBADHM O=S(=O)(N[C@H]1CCc2nnnn2CC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571140158 952623351 /nfs/dbraw/zinc/62/33/51/952623351.db2.gz ORSQTMLANKFGCX-JTQLQIEISA-N -1 3 379.381 -0.324 20 0 GBADHM O=S(=O)(N[C@H]1CCc2nnnn2CC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571140158 952623350 /nfs/dbraw/zinc/62/33/50/952623350.db2.gz ORSQTMLANKFGCX-JTQLQIEISA-N -1 3 379.381 -0.324 20 0 GBADHM O=S(=O)(N[C@@H]1CCc2nnnn2CC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001571140164 952623696 /nfs/dbraw/zinc/62/36/96/952623696.db2.gz ORSQTMLANKFGCX-SNVBAGLBSA-N -1 3 379.381 -0.324 20 0 GBADHM O=S(=O)(N[C@@H]1CCc2nnnn2CC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001571140164 952623691 /nfs/dbraw/zinc/62/36/91/952623691.db2.gz ORSQTMLANKFGCX-SNVBAGLBSA-N -1 3 379.381 -0.324 20 0 GBADHM Cn1nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nn[n-]n2)ccc1=O ZINC001571140372 952624433 /nfs/dbraw/zinc/62/44/33/952624433.db2.gz QCQDWGAHSLFNHQ-QWRGUYRKSA-N -1 3 379.384 -0.541 20 0 GBADHM Cn1nc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nnn[n-]2)ccc1=O ZINC001571140372 952624430 /nfs/dbraw/zinc/62/44/30/952624430.db2.gz QCQDWGAHSLFNHQ-QWRGUYRKSA-N -1 3 379.384 -0.541 20 0 GBADHM Cn1c(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)ccc1-c1nn[n-]n1 ZINC001571140431 952625903 /nfs/dbraw/zinc/62/59/03/952625903.db2.gz QTCUFFGBRMVUBG-UHFFFAOYSA-N -1 3 379.377 -0.078 20 0 GBADHM Cn1c(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)ccc1-c1nnn[n-]1 ZINC001571140431 952625895 /nfs/dbraw/zinc/62/58/95/952625895.db2.gz QTCUFFGBRMVUBG-UHFFFAOYSA-N -1 3 379.377 -0.078 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O)c1csnn1 ZINC001571140501 952626779 /nfs/dbraw/zinc/62/67/79/952626779.db2.gz BLVNLPUNXCNTGL-SCZZXKLOSA-N -1 3 378.443 -0.245 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)c1csnn1 ZINC001571140501 952626777 /nfs/dbraw/zinc/62/67/77/952626777.db2.gz BLVNLPUNXCNTGL-SCZZXKLOSA-N -1 3 378.443 -0.245 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)c1cncnc1 ZINC001571140736 952628477 /nfs/dbraw/zinc/62/84/77/952628477.db2.gz SJHNTDKDPDYUDJ-XYYAHUGASA-N -1 3 379.384 -0.267 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)c1cncnc1 ZINC001571140736 952628475 /nfs/dbraw/zinc/62/84/75/952628475.db2.gz SJHNTDKDPDYUDJ-XYYAHUGASA-N -1 3 379.384 -0.267 20 0 GBADHM O=C(c1cc2n(n1)CCO2)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001571140820 952629751 /nfs/dbraw/zinc/62/97/51/952629751.db2.gz UHDXLYJUDVJZSM-RYUDHWBXSA-N -1 3 379.384 -0.046 20 0 GBADHM O=C(c1cc2n(n1)CCO2)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571140820 952629749 /nfs/dbraw/zinc/62/97/49/952629749.db2.gz UHDXLYJUDVJZSM-RYUDHWBXSA-N -1 3 379.384 -0.046 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@H]2CN(C(=O)c3cnccn3)C[C@H]21 ZINC001571140833 952629659 /nfs/dbraw/zinc/62/96/59/952629659.db2.gz UMSSZPRPOYKFDN-IINYFYTJSA-N -1 3 379.384 -0.029 20 0 GBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@H]2CN(C(=O)c3cnccn3)C[C@H]21 ZINC001571140833 952629656 /nfs/dbraw/zinc/62/96/56/952629656.db2.gz UMSSZPRPOYKFDN-IINYFYTJSA-N -1 3 379.384 -0.029 20 0 GBADHM Cc1ccnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)n1 ZINC001571140870 952629613 /nfs/dbraw/zinc/62/96/13/952629613.db2.gz UWPAXRDHLBWFLQ-PJXYFTJBSA-N -1 3 379.384 -0.206 20 0 GBADHM Cc1ccnc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)n1 ZINC001571140870 952629610 /nfs/dbraw/zinc/62/96/10/952629610.db2.gz UWPAXRDHLBWFLQ-PJXYFTJBSA-N -1 3 379.384 -0.206 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)c1ccc(=O)[nH]n1 ZINC001571141172 952630307 /nfs/dbraw/zinc/63/03/07/952630307.db2.gz VLIBVJCANIAIHR-CNDDSTCGSA-N -1 3 379.384 -0.131 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)c1ccc(=O)[nH]n1 ZINC001571141172 952630304 /nfs/dbraw/zinc/63/03/04/952630304.db2.gz VLIBVJCANIAIHR-CNDDSTCGSA-N -1 3 379.384 -0.131 20 0 GBADHM O=C1OCCN1C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571141288 952632687 /nfs/dbraw/zinc/63/26/87/952632687.db2.gz XDCJJGAEEQYDTB-UHFFFAOYSA-N -1 3 379.402 -0.133 20 0 GBADHM O=C1OCCN1C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571141288 952632681 /nfs/dbraw/zinc/63/26/81/952632681.db2.gz XDCJJGAEEQYDTB-UHFFFAOYSA-N -1 3 379.402 -0.133 20 0 GBADHM CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cscc1-c1nn[n-]n1 ZINC001571141629 952635067 /nfs/dbraw/zinc/63/50/67/952635067.db2.gz JFMPVUPEESYIDX-UHFFFAOYSA-N -1 3 378.461 -0.285 20 0 GBADHM CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cscc1-c1nnn[n-]1 ZINC001571141629 952635062 /nfs/dbraw/zinc/63/50/62/952635062.db2.gz JFMPVUPEESYIDX-UHFFFAOYSA-N -1 3 378.461 -0.285 20 0 GBADHM O=C(NCc1ccc(-c2nnn[n-]2)s1)NC[C@]12COC(=O)N1CCOC2 ZINC001571141655 952634843 /nfs/dbraw/zinc/63/48/43/952634843.db2.gz YFKAPWJODBZVMM-AWEZNQCLSA-N -1 3 379.402 -0.051 20 0 GBADHM O=C(NCc1ccc(-c2nnn[n-]2)s1)NC[C@@]12COC(=O)N1CCOC2 ZINC001571141657 952634990 /nfs/dbraw/zinc/63/49/90/952634990.db2.gz YFKAPWJODBZVMM-CQSZACIVSA-N -1 3 379.402 -0.051 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21)c1cccnn1 ZINC001571141688 952634769 /nfs/dbraw/zinc/63/47/69/952634769.db2.gz ZALFNZCXMRZWKD-CNDDSTCGSA-N -1 3 379.384 -0.267 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21)c1cccnn1 ZINC001571141688 952634765 /nfs/dbraw/zinc/63/47/65/952634765.db2.gz ZALFNZCXMRZWKD-CNDDSTCGSA-N -1 3 379.384 -0.267 20 0 GBADHM NS(=O)(=O)C1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001571142266 952639921 /nfs/dbraw/zinc/63/99/21/952639921.db2.gz NSKFHIGGRHKSOO-UHFFFAOYSA-N -1 3 378.823 -0.819 20 0 GBADHM NS(=O)(=O)C1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001571142266 952639920 /nfs/dbraw/zinc/63/99/20/952639920.db2.gz NSKFHIGGRHKSOO-UHFFFAOYSA-N -1 3 378.823 -0.819 20 0 GBADHM Cc1nsc(N2CCN(C(=O)CN3CCOCC3)CC2)c1-c1nnn[n-]1 ZINC001571142279 952639665 /nfs/dbraw/zinc/63/96/65/952639665.db2.gz OFSCSBLHLBCNTM-UHFFFAOYSA-N -1 3 378.462 -0.388 20 0 GBADHM Cc1nsc(N[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)c1-c1nn[n-]n1 ZINC001571142323 952639917 /nfs/dbraw/zinc/63/99/17/952639917.db2.gz PBIVFVAXXREKJK-GHMZBOCLSA-N -1 3 378.462 -0.025 20 0 GBADHM Cc1nsc(N[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)C2)c1-c1nnn[n-]1 ZINC001571142323 952639914 /nfs/dbraw/zinc/63/99/14/952639914.db2.gz PBIVFVAXXREKJK-GHMZBOCLSA-N -1 3 378.462 -0.025 20 0 GBADHM Cc1nsc(N[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)c1-c1nn[n-]n1 ZINC001571142324 952639839 /nfs/dbraw/zinc/63/98/39/952639839.db2.gz PBIVFVAXXREKJK-MNOVXSKESA-N -1 3 378.462 -0.025 20 0 GBADHM Cc1nsc(N[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)C2)c1-c1nnn[n-]1 ZINC001571142324 952639836 /nfs/dbraw/zinc/63/98/36/952639836.db2.gz PBIVFVAXXREKJK-MNOVXSKESA-N -1 3 378.462 -0.025 20 0 GBADHM CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001571142461 952641697 /nfs/dbraw/zinc/64/16/97/952641697.db2.gz QIHJUGYUXRYZOO-UHFFFAOYSA-N -1 3 378.461 -0.285 20 0 GBADHM CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001571142461 952641695 /nfs/dbraw/zinc/64/16/95/952641695.db2.gz QIHJUGYUXRYZOO-UHFFFAOYSA-N -1 3 378.461 -0.285 20 0 GBADHM CN(C)CC(=O)N1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571142560 952643211 /nfs/dbraw/zinc/64/32/11/952643211.db2.gz UQIKOVRTTQFPCQ-UHFFFAOYSA-N -1 3 378.824 -0.239 20 0 GBADHM C[S@](=N)(=O)N1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571142567 952643261 /nfs/dbraw/zinc/64/32/61/952643261.db2.gz USWUTNQUOKYAFN-AREMUKBSSA-N -1 3 378.462 -0.308 20 0 GBADHM C[S@](=N)(=O)N1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571142567 952643258 /nfs/dbraw/zinc/64/32/58/952643258.db2.gz USWUTNQUOKYAFN-AREMUKBSSA-N -1 3 378.462 -0.308 20 0 GBADHM C[S@@](=N)(=O)N1CCN(CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571142570 952644089 /nfs/dbraw/zinc/64/40/89/952644089.db2.gz USWUTNQUOKYAFN-SANMLTNESA-N -1 3 378.462 -0.308 20 0 GBADHM C[S@@](=N)(=O)N1CCN(CC(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571142570 952644087 /nfs/dbraw/zinc/64/40/87/952644087.db2.gz USWUTNQUOKYAFN-SANMLTNESA-N -1 3 378.462 -0.308 20 0 GBADHM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)CN3CCCC3)C2)c1-c1nnn[n-]1 ZINC001571142692 952645361 /nfs/dbraw/zinc/64/53/61/952645361.db2.gz VNNUABNEVYUZQX-GHMZBOCLSA-N -1 3 378.462 -0.607 20 0 GBADHM O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@H]1COC(=O)N1 ZINC001571142768 952645943 /nfs/dbraw/zinc/64/59/43/952645943.db2.gz XWHMDJDKVBTKCK-WCBMZHEXSA-N -1 3 378.780 -0.282 20 0 GBADHM O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@H]1COC(=O)N1 ZINC001571142768 952645938 /nfs/dbraw/zinc/64/59/38/952645938.db2.gz XWHMDJDKVBTKCK-WCBMZHEXSA-N -1 3 378.780 -0.282 20 0 GBADHM O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@@H]1COC(=O)N1 ZINC001571142769 952646074 /nfs/dbraw/zinc/64/60/74/952646074.db2.gz XWHMDJDKVBTKCK-WPRPVWTQSA-N -1 3 378.780 -0.282 20 0 GBADHM O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@@H]1COC(=O)N1 ZINC001571142769 952646071 /nfs/dbraw/zinc/64/60/71/952646071.db2.gz XWHMDJDKVBTKCK-WPRPVWTQSA-N -1 3 378.780 -0.282 20 0 GBADHM NS(=O)(=O)c1ccc(CC(=O)NCc2cncc(-c3nn[n-]n3)c2)s1 ZINC001571147982 952664492 /nfs/dbraw/zinc/66/44/92/952664492.db2.gz SIDXCUNVIYIKQR-UHFFFAOYSA-N -1 3 379.427 -0.171 20 0 GBADHM NS(=O)(=O)c1ccc(CC(=O)NCc2cncc(-c3nnn[n-]3)c2)s1 ZINC001571147982 952664489 /nfs/dbraw/zinc/66/44/89/952664489.db2.gz SIDXCUNVIYIKQR-UHFFFAOYSA-N -1 3 379.427 -0.171 20 0 GBADHM NC(=O)[C@H](NS(=O)(=O)Cc1csc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001571148009 952665714 /nfs/dbraw/zinc/66/57/14/952665714.db2.gz SZMMEOFUQQZXBM-LLVKDONJSA-N -1 3 379.427 -0.031 20 0 GBADHM NC(=O)[C@@H](NS(=O)(=O)Cc1csc(-c2nnn[n-]2)c1)c1ccccn1 ZINC001571148012 952665258 /nfs/dbraw/zinc/66/52/58/952665258.db2.gz SZMMEOFUQQZXBM-NSHDSACASA-N -1 3 379.427 -0.031 20 0 GBADHM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC001571150462 952668376 /nfs/dbraw/zinc/66/83/76/952668376.db2.gz BAJKSGUXUYAMMD-GMTAPVOTSA-N -1 3 379.446 -0.276 20 0 GBADHM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCOC3)C2)c1-c1nnn[n-]1 ZINC001571150463 952668387 /nfs/dbraw/zinc/66/83/87/952668387.db2.gz BAJKSGUXUYAMMD-HBNTYKKESA-N -1 3 379.446 -0.276 20 0 GBADHM O=S1(=O)CC[C@]2(C1)CN(C[C@@H](O)c1cccc(-c3nn[n-]n3)c1)CCO2 ZINC001571150621 952669705 /nfs/dbraw/zinc/66/97/05/952669705.db2.gz DAKKWLDHTNCIPZ-GDBMZVCRSA-N -1 3 379.442 -0.210 20 0 GBADHM O=S1(=O)CC[C@]2(C1)CN(C[C@@H](O)c1cccc(-c3nnn[n-]3)c1)CCO2 ZINC001571150621 952669698 /nfs/dbraw/zinc/66/96/98/952669698.db2.gz DAKKWLDHTNCIPZ-GDBMZVCRSA-N -1 3 379.442 -0.210 20 0 GBADHM O=S1(=O)CC[C@]2(C1)CN(C[C@H](O)c1cccc(-c3nn[n-]n3)c1)CCO2 ZINC001571150622 952669809 /nfs/dbraw/zinc/66/98/09/952669809.db2.gz DAKKWLDHTNCIPZ-GOEBONIOSA-N -1 3 379.442 -0.210 20 0 GBADHM O=S1(=O)CC[C@]2(C1)CN(C[C@H](O)c1cccc(-c3nnn[n-]3)c1)CCO2 ZINC001571150622 952669807 /nfs/dbraw/zinc/66/98/07/952669807.db2.gz DAKKWLDHTNCIPZ-GOEBONIOSA-N -1 3 379.442 -0.210 20 0 GBADHM O=S1(=O)CC[C@@]2(C1)CN(C[C@H](O)c1cccc(-c3nn[n-]n3)c1)CCO2 ZINC001571150623 952669388 /nfs/dbraw/zinc/66/93/88/952669388.db2.gz DAKKWLDHTNCIPZ-HOCLYGCPSA-N -1 3 379.442 -0.210 20 0 GBADHM O=S1(=O)CC[C@@]2(C1)CN(C[C@H](O)c1cccc(-c3nnn[n-]3)c1)CCO2 ZINC001571150623 952669385 /nfs/dbraw/zinc/66/93/85/952669385.db2.gz DAKKWLDHTNCIPZ-HOCLYGCPSA-N -1 3 379.442 -0.210 20 0 GBADHM O=S1(=O)CC[C@@]2(C1)CN(C[C@@H](O)c1cccc(-c3nn[n-]n3)c1)CCO2 ZINC001571150624 952669396 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Cc1ccc(S(=O)(=O)NC[C@H](O)CN2CCCC2=O)c(-c2nnn[n-]2)c1 ZINC001571165354 952749713 /nfs/dbraw/zinc/74/97/13/952749713.db2.gz BWELODKEXLCNBM-NSHDSACASA-N -1 3 380.430 -0.563 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001571165406 952750578 /nfs/dbraw/zinc/75/05/78/952750578.db2.gz CTQNRIBGKSYENH-KOLCDFICSA-N -1 3 380.430 -0.128 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC001571165406 952750575 /nfs/dbraw/zinc/75/05/75/952750575.db2.gz CTQNRIBGKSYENH-KOLCDFICSA-N -1 3 380.430 -0.128 20 0 GBADHM CS(=O)(=O)CCNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571165436 952751261 /nfs/dbraw/zinc/75/12/61/952751261.db2.gz DBAARJICZQLSJO-UHFFFAOYSA-N -1 3 380.434 -0.862 20 0 GBADHM CS(=O)(=O)CCNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571165436 952751258 /nfs/dbraw/zinc/75/12/58/952751258.db2.gz DBAARJICZQLSJO-UHFFFAOYSA-N -1 3 380.434 -0.862 20 0 GBADHM Cc1cncn1CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C1 ZINC001571165487 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3 380.434 -0.786 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165644 952752982 /nfs/dbraw/zinc/75/29/82/952752982.db2.gz HFYYNGZPNLHBHT-NSHDSACASA-N -1 3 380.434 -0.786 20 0 GBADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165644 952752977 /nfs/dbraw/zinc/75/29/77/952752977.db2.gz HFYYNGZPNLHBHT-NSHDSACASA-N -1 3 380.434 -0.786 20 0 GBADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165680 952753370 /nfs/dbraw/zinc/75/33/70/952753370.db2.gz HLULVFYCTDIWGC-JTQLQIEISA-N -1 3 380.434 -0.929 20 0 GBADHM CS(=O)(=O)N1CC[C@@H](CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165680 952753366 /nfs/dbraw/zinc/75/33/66/952753366.db2.gz HLULVFYCTDIWGC-JTQLQIEISA-N -1 3 380.434 -0.929 20 0 GBADHM CS(=O)(=O)N1CC[C@H](CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571165686 952752904 /nfs/dbraw/zinc/75/29/04/952752904.db2.gz HLULVFYCTDIWGC-SNVBAGLBSA-N -1 3 380.434 -0.929 20 0 GBADHM CS(=O)(=O)N1CC[C@H](CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571165686 952752901 /nfs/dbraw/zinc/75/29/01/952752901.db2.gz HLULVFYCTDIWGC-SNVBAGLBSA-N -1 3 380.434 -0.929 20 0 GBADHM Cn1cncc1CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001571165747 952753941 /nfs/dbraw/zinc/75/39/41/952753941.db2.gz JMEPKWJFEZZVTC-SMDDNHRTSA-N -1 3 380.416 -0.330 20 0 GBADHM O=C(Cn1cncn1)N1CCC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571165843 952756047 /nfs/dbraw/zinc/75/60/47/952756047.db2.gz MAFIXTJMPYVCGM-GXTWGEPZSA-N -1 3 380.416 -0.019 20 0 GBADHM O=C(Cn1cncn1)N1CCC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571165843 952756043 /nfs/dbraw/zinc/75/60/43/952756043.db2.gz MAFIXTJMPYVCGM-GXTWGEPZSA-N -1 3 380.416 -0.019 20 0 GBADHM Cc1cc(NC(=O)NC2CCN(S(N)(=O)=O)CC2)cc(-c2nn[n-]n2)c1 ZINC001571165913 952756411 /nfs/dbraw/zinc/75/64/11/952756411.db2.gz IUPWRGCRRBTQHL-UHFFFAOYSA-N -1 3 380.434 -0.035 20 0 GBADHM Cc1cc(NC(=O)NC2CCN(S(N)(=O)=O)CC2)cc(-c2nnn[n-]2)c1 ZINC001571165913 952756407 /nfs/dbraw/zinc/75/64/07/952756407.db2.gz IUPWRGCRRBTQHL-UHFFFAOYSA-N -1 3 380.434 -0.035 20 0 GBADHM CO[C@@H]1CCC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571165981 952757130 /nfs/dbraw/zinc/75/71/30/952757130.db2.gz JTEBYKWDLQYHJS-CHWSQXEVSA-N -1 3 380.430 -0.171 20 0 GBADHM CO[C@@H]1CCC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571165981 952757129 /nfs/dbraw/zinc/75/71/29/952757129.db2.gz JTEBYKWDLQYHJS-CHWSQXEVSA-N -1 3 380.430 -0.171 20 0 GBADHM O=C(Cc1cnc[nH]1)N1C[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571166082 952757148 /nfs/dbraw/zinc/75/71/48/952757148.db2.gz NDRVONARDJLALS-NEPJUHHUSA-N -1 3 380.416 -0.093 20 0 GBADHM Cc1nnc(CC(=O)N2CC[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)[nH]1 ZINC001571166086 952757589 /nfs/dbraw/zinc/75/75/89/952757589.db2.gz NGFLAFIRSVFPQP-WCQYABFASA-N -1 3 380.416 -0.032 20 0 GBADHM Cc1nnc(CC(=O)N2CC[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)[nH]1 ZINC001571166086 952757584 /nfs/dbraw/zinc/75/75/84/952757584.db2.gz NGFLAFIRSVFPQP-WCQYABFASA-N -1 3 380.416 -0.032 20 0 GBADHM Cn1cncc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1 ZINC001571166420 952760641 /nfs/dbraw/zinc/76/06/41/952760641.db2.gz RKRQGEBJIPDOKW-OSMZGAPFSA-N -1 3 380.416 -0.141 20 0 GBADHM O=C(CCn1ccnn1)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571166474 952762000 /nfs/dbraw/zinc/76/20/00/952762000.db2.gz SFPNXUCPYNQAPJ-BETUJISGSA-N -1 3 380.416 -0.162 20 0 GBADHM O=C(CCn1ccnn1)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571166474 952761997 /nfs/dbraw/zinc/76/19/97/952761997.db2.gz SFPNXUCPYNQAPJ-BETUJISGSA-N -1 3 380.416 -0.162 20 0 GBADHM C[C@H]1[C@@H](O)CCCN1C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571166602 952763189 /nfs/dbraw/zinc/76/31/89/952763189.db2.gz NPMOOHNUSMXUBX-GWCFXTLKSA-N -1 3 380.430 -0.483 20 0 GBADHM C[C@H]1[C@@H](O)CCCN1C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571166602 952763186 /nfs/dbraw/zinc/76/31/86/952763186.db2.gz NPMOOHNUSMXUBX-GWCFXTLKSA-N -1 3 380.430 -0.483 20 0 GBADHM O=C(N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)[C@@H]1CCc2nncn2C1 ZINC001571166626 952763224 /nfs/dbraw/zinc/76/32/24/952763224.db2.gz UHMNGLKITHWMRZ-NEPJUHHUSA-N -1 3 380.416 -0.189 20 0 GBADHM O=C(N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)[C@@H]1CCc2nncn2C1 ZINC001571166626 952763222 /nfs/dbraw/zinc/76/32/22/952763222.db2.gz UHMNGLKITHWMRZ-NEPJUHHUSA-N -1 3 380.416 -0.189 20 0 GBADHM O=C(N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)[C@H]1CCc2nncn2C1 ZINC001571166629 952762966 /nfs/dbraw/zinc/76/29/66/952762966.db2.gz UHMNGLKITHWMRZ-RYUDHWBXSA-N -1 3 380.416 -0.189 20 0 GBADHM O=C(N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)[C@H]1CCc2nncn2C1 ZINC001571166629 952762961 /nfs/dbraw/zinc/76/29/61/952762961.db2.gz UHMNGLKITHWMRZ-RYUDHWBXSA-N -1 3 380.416 -0.189 20 0 GBADHM CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)C(=O)C1CN(S(C)(=O)=O)C1 ZINC001571166677 952763806 /nfs/dbraw/zinc/76/38/06/952763806.db2.gz OCVCTUKJJWOPNF-CYBMUJFWSA-N -1 3 380.430 -0.750 20 0 GBADHM CN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)C(=O)C1CN(S(C)(=O)=O)C1 ZINC001571166677 952763799 /nfs/dbraw/zinc/76/37/99/952763799.db2.gz OCVCTUKJJWOPNF-CYBMUJFWSA-N -1 3 380.430 -0.750 20 0 GBADHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)C(=O)C1CN(S(C)(=O)=O)C1 ZINC001571166679 952764470 /nfs/dbraw/zinc/76/44/70/952764470.db2.gz OCVCTUKJJWOPNF-ZDUSSCGKSA-N -1 3 380.430 -0.750 20 0 GBADHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)C(=O)C1CN(S(C)(=O)=O)C1 ZINC001571166679 952764457 /nfs/dbraw/zinc/76/44/57/952764457.db2.gz OCVCTUKJJWOPNF-ZDUSSCGKSA-N -1 3 380.430 -0.750 20 0 GBADHM CNC(=O)C1(NS(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)CCOCC1 ZINC001571166779 952765669 /nfs/dbraw/zinc/76/56/69/952765669.db2.gz QAGCJQSMODOKPL-UHFFFAOYSA-N -1 3 380.430 -0.251 20 0 GBADHM CNC(=O)C1(NS(=O)(=O)c2c(C)cccc2-c2nnn[n-]2)CCOCC1 ZINC001571166779 952765667 /nfs/dbraw/zinc/76/56/67/952765667.db2.gz QAGCJQSMODOKPL-UHFFFAOYSA-N -1 3 380.430 -0.251 20 0 GBADHM Cc1cncn1CC(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571166826 952765566 /nfs/dbraw/zinc/76/55/66/952765566.db2.gz WRIBJIFOOIFVMW-QWHCGFSZSA-N -1 3 380.416 -0.101 20 0 GBADHM 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O=S(=O)([C@@H]1COC[C@H]1O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571167167 952771519 /nfs/dbraw/zinc/77/15/19/952771519.db2.gz XAVRGXOIMXGDIP-ZIAGYGMSSA-N -1 3 380.430 -0.922 20 0 GBADHM O=C(Cc1ccccc1)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001571169942 952780814 /nfs/dbraw/zinc/78/08/14/952780814.db2.gz AFBXWGMZWRPOJK-CABCVRRESA-N -1 3 381.396 -0.261 20 0 GBADHM O=C(Cc1ccccc1)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001571169942 952780811 /nfs/dbraw/zinc/78/08/11/952780811.db2.gz AFBXWGMZWRPOJK-CABCVRRESA-N -1 3 381.396 -0.261 20 0 GBADHM C[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571170022 952781947 /nfs/dbraw/zinc/78/19/47/952781947.db2.gz CNQSUIVBJUSWNN-GWCFXTLKSA-N -1 3 381.400 -0.072 20 0 GBADHM C[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571170022 952781940 /nfs/dbraw/zinc/78/19/40/952781940.db2.gz CNQSUIVBJUSWNN-GWCFXTLKSA-N -1 3 381.400 -0.072 20 0 GBADHM C[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571170023 952782018 /nfs/dbraw/zinc/78/20/18/952782018.db2.gz CNQSUIVBJUSWNN-GXFFZTMASA-N -1 3 381.400 -0.072 20 0 GBADHM C[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571170023 952782015 /nfs/dbraw/zinc/78/20/15/952782015.db2.gz CNQSUIVBJUSWNN-GXFFZTMASA-N -1 3 381.400 -0.072 20 0 GBADHM C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571170024 952781693 /nfs/dbraw/zinc/78/16/93/952781693.db2.gz CNQSUIVBJUSWNN-MFKMUULPSA-N -1 3 381.400 -0.072 20 0 GBADHM C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571170024 952781687 /nfs/dbraw/zinc/78/16/87/952781687.db2.gz CNQSUIVBJUSWNN-MFKMUULPSA-N -1 3 381.400 -0.072 20 0 GBADHM C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571170025 952782111 /nfs/dbraw/zinc/78/21/11/952782111.db2.gz CNQSUIVBJUSWNN-ZWNOBZJWSA-N -1 3 381.400 -0.072 20 0 GBADHM C[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571170025 952782109 /nfs/dbraw/zinc/78/21/09/952782109.db2.gz CNQSUIVBJUSWNN-ZWNOBZJWSA-N -1 3 381.400 -0.072 20 0 GBADHM O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)C1CS(=O)(=O)C1 ZINC001571170033 952781626 /nfs/dbraw/zinc/78/16/26/952781626.db2.gz CRGMPJKJXBXTQF-JTQLQIEISA-N -1 3 381.393 -0.860 20 0 GBADHM O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)C1CS(=O)(=O)C1 ZINC001571170033 952781623 /nfs/dbraw/zinc/78/16/23/952781623.db2.gz CRGMPJKJXBXTQF-JTQLQIEISA-N -1 3 381.393 -0.860 20 0 GBADHM CCn1nccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571170111 952782698 /nfs/dbraw/zinc/78/26/98/952782698.db2.gz DDVZJKQJULKARS-YABSGUDNSA-N -1 3 381.400 -0.088 20 0 GBADHM CCn1nccc1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571170111 952782695 /nfs/dbraw/zinc/78/26/95/952782695.db2.gz DDVZJKQJULKARS-YABSGUDNSA-N -1 3 381.400 -0.088 20 0 GBADHM CN(C)c1n[nH]c(CNS(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)n1 ZINC001571170122 952783864 /nfs/dbraw/zinc/78/38/64/952783864.db2.gz DIEJMILMZOIYPF-UHFFFAOYSA-N -1 3 381.397 -0.191 20 0 GBADHM CCc1nc[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571170218 952784727 /nfs/dbraw/zinc/78/47/27/952784727.db2.gz GHXRDINRZZZHBE-IWIIMEHWSA-N -1 3 381.400 -0.019 20 0 GBADHM CCc1nc[nH]c1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571170218 952784724 /nfs/dbraw/zinc/78/47/24/952784724.db2.gz GHXRDINRZZZHBE-IWIIMEHWSA-N -1 3 381.400 -0.019 20 0 GBADHM CCn1nc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)ccc1=O ZINC001571170384 952786072 /nfs/dbraw/zinc/78/60/72/952786072.db2.gz IILINGIXOPDUFA-LLVKDONJSA-N -1 3 381.400 -0.153 20 0 GBADHM CCn1nc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)ccc1=O ZINC001571170384 952786068 /nfs/dbraw/zinc/78/60/68/952786068.db2.gz IILINGIXOPDUFA-LLVKDONJSA-N -1 3 381.400 -0.153 20 0 GBADHM CCn1nc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)ccc1=O ZINC001571170385 952785762 /nfs/dbraw/zinc/78/57/62/952785762.db2.gz IILINGIXOPDUFA-NSHDSACASA-N -1 3 381.400 -0.153 20 0 GBADHM CCn1nc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)ccc1=O ZINC001571170385 952785758 /nfs/dbraw/zinc/78/57/58/952785758.db2.gz IILINGIXOPDUFA-NSHDSACASA-N -1 3 381.400 -0.153 20 0 GBADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H]1C(=O)OC ZINC001571170389 952786216 /nfs/dbraw/zinc/78/62/16/952786216.db2.gz IOAAVFJQDXTRRF-JTQLQIEISA-N -1 3 381.370 -0.411 20 0 GBADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H]1C(=O)OC ZINC001571170389 952786214 /nfs/dbraw/zinc/78/62/14/952786214.db2.gz IOAAVFJQDXTRRF-JTQLQIEISA-N -1 3 381.370 -0.411 20 0 GBADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H]1C(=O)OC ZINC001571170390 952785638 /nfs/dbraw/zinc/78/56/38/952785638.db2.gz IOAAVFJQDXTRRF-SNVBAGLBSA-N -1 3 381.370 -0.411 20 0 GBADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H]1C(=O)OC ZINC001571170390 952785634 /nfs/dbraw/zinc/78/56/34/952785634.db2.gz IOAAVFJQDXTRRF-SNVBAGLBSA-N -1 3 381.370 -0.411 20 0 GBADHM Cn1cc(C[C@H](CO)NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC001571170439 952785600 /nfs/dbraw/zinc/78/56/00/952785600.db2.gz JXVPWAZQXJGSCU-LLVKDONJSA-N -1 3 381.393 -0.379 20 0 GBADHM Cn1cc(C[C@@H](CO)NS(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC001571170639 952787056 /nfs/dbraw/zinc/78/70/56/952787056.db2.gz JXVPWAZQXJGSCU-NSHDSACASA-N -1 3 381.393 -0.379 20 0 GBADHM O=C(Cc1ccccc1)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001571171124 952791986 /nfs/dbraw/zinc/79/19/86/952791986.db2.gz PGQATQCIRDUJHH-CABCVRRESA-N -1 3 381.396 -0.261 20 0 GBADHM O=C(Cc1ccccc1)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001571171124 952791983 /nfs/dbraw/zinc/79/19/83/952791983.db2.gz PGQATQCIRDUJHH-CABCVRRESA-N -1 3 381.396 -0.261 20 0 GBADHM CCn1nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)ccc1=O ZINC001571171278 952793022 /nfs/dbraw/zinc/79/30/22/952793022.db2.gz QOXBBISFMGAFGI-LLVKDONJSA-N -1 3 381.400 -0.153 20 0 GBADHM CCn1nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)ccc1=O ZINC001571171278 952793021 /nfs/dbraw/zinc/79/30/21/952793021.db2.gz QOXBBISFMGAFGI-LLVKDONJSA-N -1 3 381.400 -0.153 20 0 GBADHM CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001571171306 952792572 /nfs/dbraw/zinc/79/25/72/952792572.db2.gz QSTBKMVZIMVNIX-IMRBUKKESA-N -1 3 381.400 -0.088 20 0 GBADHM CCn1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001571171306 952792567 /nfs/dbraw/zinc/79/25/67/952792567.db2.gz QSTBKMVZIMVNIX-IMRBUKKESA-N -1 3 381.400 -0.088 20 0 GBADHM CCc1n[nH]cc1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571171370 952792817 /nfs/dbraw/zinc/79/28/17/952792817.db2.gz RMNCMCFPLHWDMA-MSRIBSCDSA-N -1 3 381.400 -0.019 20 0 GBADHM CCc1n[nH]cc1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001571171370 952792810 /nfs/dbraw/zinc/79/28/10/952792810.db2.gz RMNCMCFPLHWDMA-MSRIBSCDSA-N -1 3 381.400 -0.019 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571171375 952793063 /nfs/dbraw/zinc/79/30/63/952793063.db2.gz RRZVELVZNOSQSX-HUUCEWRRSA-N -1 3 381.396 -0.205 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)C2C=CC=CC=C2)C[C@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571171375 952793060 /nfs/dbraw/zinc/79/30/60/952793060.db2.gz RRZVELVZNOSQSX-HUUCEWRRSA-N -1 3 381.396 -0.205 20 0 GBADHM CCc1cc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]n1 ZINC001571171392 952792867 /nfs/dbraw/zinc/79/28/67/952792867.db2.gz SARMTBCLOQNBBR-YABSGUDNSA-N -1 3 381.400 -0.019 20 0 GBADHM O=C(Cc1nnc[nH]1)N1CCN(c2snc(Cl)c2-c2nnn[n-]2)CC1 ZINC001571171506 952793722 /nfs/dbraw/zinc/79/37/22/952793722.db2.gz AVAWWTVYQOPCSG-UHFFFAOYSA-N -1 3 380.825 -0.014 20 0 GBADHM O=C(NC[C@@H](O)CO)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001571171535 952793971 /nfs/dbraw/zinc/79/39/71/952793971.db2.gz BRANGQPCCDXMPO-PSASIEDQSA-N -1 3 380.792 -0.658 20 0 GBADHM O=C(NC[C@@H](O)CO)[C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001571171535 952793967 /nfs/dbraw/zinc/79/39/67/952793967.db2.gz BRANGQPCCDXMPO-PSASIEDQSA-N -1 3 380.792 -0.658 20 0 GBADHM O=C(NC[C@@H](O)CO)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001571171536 952794209 /nfs/dbraw/zinc/79/42/09/952794209.db2.gz BRANGQPCCDXMPO-WCBMZHEXSA-N -1 3 380.792 -0.658 20 0 GBADHM O=C(NC[C@@H](O)CO)[C@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001571171536 952794205 /nfs/dbraw/zinc/79/42/05/952794205.db2.gz BRANGQPCCDXMPO-WCBMZHEXSA-N -1 3 380.792 -0.658 20 0 GBADHM CCOC(=O)c1c(NC(=O)N(CCO)CCO)c(-c2nn[n-]n2)cn1CC ZINC001571171605 952794848 /nfs/dbraw/zinc/79/48/48/952794848.db2.gz TWXHBRUNRPGPPS-UHFFFAOYSA-N -1 3 381.393 -0.317 20 0 GBADHM CCOC(=O)c1c(NC(=O)N(CCO)CCO)c(-c2nnn[n-]2)cn1CC ZINC001571171605 952794842 /nfs/dbraw/zinc/79/48/42/952794842.db2.gz TWXHBRUNRPGPPS-UHFFFAOYSA-N -1 3 381.393 -0.317 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C1C=CC=CC=C1 ZINC001571171653 952796356 /nfs/dbraw/zinc/79/63/56/952796356.db2.gz VBOWEODXQIPSIE-HUUCEWRRSA-N -1 3 381.396 -0.205 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)C1C=CC=CC=C1 ZINC001571171653 952796353 /nfs/dbraw/zinc/79/63/53/952796353.db2.gz VBOWEODXQIPSIE-HUUCEWRRSA-N -1 3 381.396 -0.205 20 0 GBADHM O=C(N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)[C@]1(F)CCOC1 ZINC001571171694 952795887 /nfs/dbraw/zinc/79/58/87/952795887.db2.gz DDPQXXZJQZRCBS-HFAKWTLXSA-N -1 3 381.343 -0.805 20 0 GBADHM O=C(N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)[C@]1(F)CCOC1 ZINC001571171694 952795883 /nfs/dbraw/zinc/79/58/83/952795883.db2.gz DDPQXXZJQZRCBS-HFAKWTLXSA-N -1 3 381.343 -0.805 20 0 GBADHM O=C(N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)[C@@]1(F)CCOC1 ZINC001571171695 952795661 /nfs/dbraw/zinc/79/56/61/952795661.db2.gz DDPQXXZJQZRCBS-UEKVPHQBSA-N -1 3 381.343 -0.805 20 0 GBADHM O=C(N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)[C@@]1(F)CCOC1 ZINC001571171695 952795658 /nfs/dbraw/zinc/79/56/58/952795658.db2.gz DDPQXXZJQZRCBS-UEKVPHQBSA-N -1 3 381.343 -0.805 20 0 GBADHM CN(CCS(N)(=O)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001571171717 952795917 /nfs/dbraw/zinc/79/59/17/952795917.db2.gz DRMYHERVKHUQJJ-UHFFFAOYSA-N -1 3 380.839 -0.571 20 0 GBADHM CN(CCS(N)(=O)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001571171717 952795915 /nfs/dbraw/zinc/79/59/15/952795915.db2.gz DRMYHERVKHUQJJ-UHFFFAOYSA-N -1 3 380.839 -0.571 20 0 GBADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001571171783 952797126 /nfs/dbraw/zinc/79/71/26/952797126.db2.gz WDVBYJPDRMYZPQ-CYBMUJFWSA-N -1 3 381.400 -0.010 20 0 GBADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001571171783 952797120 /nfs/dbraw/zinc/79/71/20/952797120.db2.gz WDVBYJPDRMYZPQ-CYBMUJFWSA-N -1 3 381.400 -0.010 20 0 GBADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001571171784 952797077 /nfs/dbraw/zinc/79/70/77/952797077.db2.gz WDVBYJPDRMYZPQ-ZDUSSCGKSA-N -1 3 381.400 -0.010 20 0 GBADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1NC(=O)c1c[nH]c(=O)cn1 ZINC001571171784 952797073 /nfs/dbraw/zinc/79/70/73/952797073.db2.gz WDVBYJPDRMYZPQ-ZDUSSCGKSA-N -1 3 381.400 -0.010 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C1CC(F)(F)C1 ZINC001571172288 952805890 /nfs/dbraw/zinc/80/58/90/952805890.db2.gz SDVOFWTWOPLBNC-GHMZBOCLSA-N -1 3 381.343 -0.458 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C1CC(F)(F)C1 ZINC001571172288 952805883 /nfs/dbraw/zinc/80/58/83/952805883.db2.gz SDVOFWTWOPLBNC-GHMZBOCLSA-N -1 3 381.343 -0.458 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C1CC(F)(F)C1 ZINC001571172289 952805993 /nfs/dbraw/zinc/80/59/93/952805993.db2.gz SDVOFWTWOPLBNC-MNOVXSKESA-N -1 3 381.343 -0.458 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C1CC(F)(F)C1 ZINC001571172289 952805988 /nfs/dbraw/zinc/80/59/88/952805988.db2.gz SDVOFWTWOPLBNC-MNOVXSKESA-N -1 3 381.343 -0.458 20 0 GBADHM O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001571172300 952805842 /nfs/dbraw/zinc/80/58/42/952805842.db2.gz SIHHBVFUHLFILU-JTQLQIEISA-N -1 3 381.356 -0.277 20 0 GBADHM O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001571172300 952805835 /nfs/dbraw/zinc/80/58/35/952805835.db2.gz SIHHBVFUHLFILU-JTQLQIEISA-N -1 3 381.356 -0.277 20 0 GBADHM O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001571172301 952805064 /nfs/dbraw/zinc/80/50/64/952805064.db2.gz SIHHBVFUHLFILU-SNVBAGLBSA-N -1 3 381.356 -0.277 20 0 GBADHM O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001571172301 952805058 /nfs/dbraw/zinc/80/50/58/952805058.db2.gz SIHHBVFUHLFILU-SNVBAGLBSA-N -1 3 381.356 -0.277 20 0 GBADHM O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001571172359 952805631 /nfs/dbraw/zinc/80/56/31/952805631.db2.gz TZHYTQQFCPVPRY-LLVKDONJSA-N -1 3 381.356 -0.231 20 0 GBADHM O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001571172359 952805624 /nfs/dbraw/zinc/80/56/24/952805624.db2.gz TZHYTQQFCPVPRY-LLVKDONJSA-N -1 3 381.356 -0.231 20 0 GBADHM O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001571172360 952805325 /nfs/dbraw/zinc/80/53/25/952805325.db2.gz TZHYTQQFCPVPRY-NSHDSACASA-N -1 3 381.356 -0.231 20 0 GBADHM O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001571172360 952805318 /nfs/dbraw/zinc/80/53/18/952805318.db2.gz TZHYTQQFCPVPRY-NSHDSACASA-N -1 3 381.356 -0.231 20 0 GBADHM C[C@@H]1CN(CCO)CCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571172817 952808110 /nfs/dbraw/zinc/80/81/10/952808110.db2.gz YITGDYOXARXIDA-CYBMUJFWSA-N -1 3 380.474 -0.361 20 0 GBADHM C[C@@H]1CN(CCO)CCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571172817 952808108 /nfs/dbraw/zinc/80/81/08/952808108.db2.gz YITGDYOXARXIDA-CYBMUJFWSA-N -1 3 380.474 -0.361 20 0 GBADHM C[C@H]1CN(CCO)CCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571172818 952808361 /nfs/dbraw/zinc/80/83/61/952808361.db2.gz YITGDYOXARXIDA-ZDUSSCGKSA-N -1 3 380.474 -0.361 20 0 GBADHM C[C@H]1CN(CCO)CCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571172818 952808357 /nfs/dbraw/zinc/80/83/57/952808357.db2.gz YITGDYOXARXIDA-ZDUSSCGKSA-N -1 3 380.474 -0.361 20 0 GBADHM O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001571172837 952810381 /nfs/dbraw/zinc/81/03/81/952810381.db2.gz YUFDOBPZNWFBBN-LLVKDONJSA-N -1 3 381.356 -0.231 20 0 GBADHM O=C(c1cn(C[C@H]2CNC(=O)O2)nn1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001571172837 952810375 /nfs/dbraw/zinc/81/03/75/952810375.db2.gz YUFDOBPZNWFBBN-LLVKDONJSA-N -1 3 381.356 -0.231 20 0 GBADHM O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001571172838 952809412 /nfs/dbraw/zinc/80/94/12/952809412.db2.gz YUFDOBPZNWFBBN-NSHDSACASA-N -1 3 381.356 -0.231 20 0 GBADHM O=C(c1cn(C[C@@H]2CNC(=O)O2)nn1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001571172838 952809405 /nfs/dbraw/zinc/80/94/05/952809405.db2.gz YUFDOBPZNWFBBN-NSHDSACASA-N -1 3 381.356 -0.231 20 0 GBADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1ccnc(C)n1 ZINC001571174632 952812080 /nfs/dbraw/zinc/81/20/80/952812080.db2.gz CIIBZISCVJBPRT-ZIAGYGMSSA-N -1 3 381.400 -0.006 20 0 GBADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1ccnc(C)n1 ZINC001571174632 952812077 /nfs/dbraw/zinc/81/20/77/952812077.db2.gz CIIBZISCVJBPRT-ZIAGYGMSSA-N -1 3 381.400 -0.006 20 0 GBADHM Cc1c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)cnn1C ZINC001571174644 952810783 /nfs/dbraw/zinc/81/07/83/952810783.db2.gz DBXGZZYRVXFFPP-YABSGUDNSA-N -1 3 381.400 -0.263 20 0 GBADHM Cc1c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)cnn1C ZINC001571174644 952810780 /nfs/dbraw/zinc/81/07/80/952810780.db2.gz DBXGZZYRVXFFPP-YABSGUDNSA-N -1 3 381.400 -0.263 20 0 GBADHM Cc1c(C(=O)NCCc2nnc3n2CCN(C)C3=O)cccc1-c1nn[n-]n1 ZINC001571174677 952812253 /nfs/dbraw/zinc/81/22/53/952812253.db2.gz DZQRTLAJKKOKBG-UHFFFAOYSA-N -1 3 381.400 -0.175 20 0 GBADHM Cc1c(C(=O)NCCc2nnc3n2CCN(C)C3=O)cccc1-c1nnn[n-]1 ZINC001571174677 952812245 /nfs/dbraw/zinc/81/22/45/952812245.db2.gz DZQRTLAJKKOKBG-UHFFFAOYSA-N -1 3 381.400 -0.175 20 0 GBADHM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)[nH]n1 ZINC001571174733 952813187 /nfs/dbraw/zinc/81/31/87/952813187.db2.gz GRAHLKQDVHCHCU-CNDDSTCGSA-N -1 3 381.400 -0.026 20 0 GBADHM Cc1cc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)[nH]n1 ZINC001571174733 952813184 /nfs/dbraw/zinc/81/31/84/952813184.db2.gz GRAHLKQDVHCHCU-CNDDSTCGSA-N -1 3 381.400 -0.026 20 0 GBADHM C[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001571174749 952814352 /nfs/dbraw/zinc/81/43/52/952814352.db2.gz HEKNDPBAUWPPIS-NOZJJQNGSA-N -1 3 381.400 -0.057 20 0 GBADHM C[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1ccc(C(N)=O)[nH]1 ZINC001571174749 952814348 /nfs/dbraw/zinc/81/43/48/952814348.db2.gz HEKNDPBAUWPPIS-NOZJJQNGSA-N -1 3 381.400 -0.057 20 0 GBADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)nn1 ZINC001571174777 952813916 /nfs/dbraw/zinc/81/39/16/952813916.db2.gz HZCDXPVFHXWACI-GXTWGEPZSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)nn1 ZINC001571174777 952813910 /nfs/dbraw/zinc/81/39/10/952813910.db2.gz HZCDXPVFHXWACI-GXTWGEPZSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)nn1 ZINC001571174778 952814165 /nfs/dbraw/zinc/81/41/65/952814165.db2.gz HZCDXPVFHXWACI-JSGCOSHPSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ccc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)nn1 ZINC001571174778 952814162 /nfs/dbraw/zinc/81/41/62/952814162.db2.gz HZCDXPVFHXWACI-JSGCOSHPSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)nn1 ZINC001571174779 952813823 /nfs/dbraw/zinc/81/38/23/952813823.db2.gz HZCDXPVFHXWACI-OCCSQVGLSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)nn1 ZINC001571174779 952813820 /nfs/dbraw/zinc/81/38/20/952813820.db2.gz HZCDXPVFHXWACI-OCCSQVGLSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)nn1 ZINC001571174780 952814017 /nfs/dbraw/zinc/81/40/17/952814017.db2.gz HZCDXPVFHXWACI-TZMCWYRMSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ccc(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)nn1 ZINC001571174780 952814010 /nfs/dbraw/zinc/81/40/10/952814010.db2.gz HZCDXPVFHXWACI-TZMCWYRMSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)n1 ZINC001571174889 952816230 /nfs/dbraw/zinc/81/62/30/952816230.db2.gz LUWINZDLIRZSMS-CNDDSTCGSA-N -1 3 381.400 -0.026 20 0 GBADHM Cc1c[nH]c(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)n1 ZINC001571174889 952816223 /nfs/dbraw/zinc/81/62/23/952816223.db2.gz LUWINZDLIRZSMS-CNDDSTCGSA-N -1 3 381.400 -0.026 20 0 GBADHM Cc1c[nH]nc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571175099 952818448 /nfs/dbraw/zinc/81/84/48/952818448.db2.gz PIEQMCDIBZYRSW-CNDDSTCGSA-N -1 3 381.400 -0.026 20 0 GBADHM Cc1c[nH]nc1C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571175099 952818442 /nfs/dbraw/zinc/81/84/42/952818442.db2.gz PIEQMCDIBZYRSW-CNDDSTCGSA-N -1 3 381.400 -0.026 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](O)[C@H](NC(=O)c3cncnc3C)C2)n1 ZINC001571175133 952817770 /nfs/dbraw/zinc/81/77/70/952817770.db2.gz QIZNZGCOBGPLSA-ZIAGYGMSSA-N -1 3 381.400 -0.352 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](O)[C@H](NC(=O)c3cncnc3C)C2)n1 ZINC001571175133 952817765 /nfs/dbraw/zinc/81/77/65/952817765.db2.gz QIZNZGCOBGPLSA-ZIAGYGMSSA-N -1 3 381.400 -0.352 20 0 GBADHM CO[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1ccc(C)nn1 ZINC001571175255 952818632 /nfs/dbraw/zinc/81/86/32/952818632.db2.gz RAIIVAPTULEYFQ-ZIAGYGMSSA-N -1 3 381.400 -0.006 20 0 GBADHM CO[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1ccc(C)nn1 ZINC001571175255 952818626 /nfs/dbraw/zinc/81/86/26/952818626.db2.gz RAIIVAPTULEYFQ-ZIAGYGMSSA-N -1 3 381.400 -0.006 20 0 GBADHM Cc1nc(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)c(=O)[nH]c1C ZINC001571175262 952819597 /nfs/dbraw/zinc/81/95/97/952819597.db2.gz AACBZYJBZCRRDK-NSHDSACASA-N -1 3 381.400 -0.029 20 0 GBADHM Cc1nc(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)c(=O)[nH]c1C ZINC001571175262 952819590 /nfs/dbraw/zinc/81/95/90/952819590.db2.gz AACBZYJBZCRRDK-NSHDSACASA-N -1 3 381.400 -0.029 20 0 GBADHM Cc1nc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)c[nH]1 ZINC001571175268 952819556 /nfs/dbraw/zinc/81/95/56/952819556.db2.gz ACIUNSNTXPFUEK-CNDDSTCGSA-N -1 3 381.400 -0.026 20 0 GBADHM O=C(Cn1cccn1)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571175290 952819955 /nfs/dbraw/zinc/81/99/55/952819955.db2.gz AHDCONLMSOVOBM-BXUZGUMPSA-N -1 3 381.400 -0.236 20 0 GBADHM O=C(Cn1cccn1)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571175290 952819951 /nfs/dbraw/zinc/81/99/51/952819951.db2.gz AHDCONLMSOVOBM-BXUZGUMPSA-N -1 3 381.400 -0.236 20 0 GBADHM O=C(Cc1ncc[nH]1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571175338 952820490 /nfs/dbraw/zinc/82/04/90/952820490.db2.gz AYFFLDDHYKETPF-ZWNOBZJWSA-N -1 3 381.400 -0.167 20 0 GBADHM O=C(Cc1ncc[nH]1)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571175338 952820485 /nfs/dbraw/zinc/82/04/85/952820485.db2.gz AYFFLDDHYKETPF-ZWNOBZJWSA-N -1 3 381.400 -0.167 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cn2c(n1)CCC2 ZINC001571175348 952820376 /nfs/dbraw/zinc/82/03/76/952820376.db2.gz BBVZGABPUDMNIJ-LLVKDONJSA-N -1 3 381.400 -0.018 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cn2c(n1)CCC2 ZINC001571175348 952820370 /nfs/dbraw/zinc/82/03/70/952820370.db2.gz BBVZGABPUDMNIJ-LLVKDONJSA-N -1 3 381.400 -0.018 20 0 GBADHM O=C(Cn1cccn1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571175364 952821508 /nfs/dbraw/zinc/82/15/08/952821508.db2.gz BGSMAUROAJWEMX-SMDDNHRTSA-N -1 3 381.400 -0.236 20 0 GBADHM O=C(Cn1cccn1)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571175364 952821504 /nfs/dbraw/zinc/82/15/04/952821504.db2.gz BGSMAUROAJWEMX-SMDDNHRTSA-N -1 3 381.400 -0.236 20 0 GBADHM NC(=O)c1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)[nH]1 ZINC001571175384 952820764 /nfs/dbraw/zinc/82/07/64/952820764.db2.gz BUKOTZCYZPZACL-JTQLQIEISA-N -1 3 381.400 -0.055 20 0 GBADHM NC(=O)c1ccc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)[nH]1 ZINC001571175384 952820759 /nfs/dbraw/zinc/82/07/59/952820759.db2.gz BUKOTZCYZPZACL-JTQLQIEISA-N -1 3 381.400 -0.055 20 0 GBADHM NC(=O)c1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)[nH]1 ZINC001571175386 952820347 /nfs/dbraw/zinc/82/03/47/952820347.db2.gz BUKOTZCYZPZACL-SNVBAGLBSA-N -1 3 381.400 -0.055 20 0 GBADHM NC(=O)c1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)[nH]1 ZINC001571175386 952820340 /nfs/dbraw/zinc/82/03/40/952820340.db2.gz BUKOTZCYZPZACL-SNVBAGLBSA-N -1 3 381.400 -0.055 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnc2n1CCC2 ZINC001571175442 952822895 /nfs/dbraw/zinc/82/28/95/952822895.db2.gz CYBCSAFWEMAFML-LLVKDONJSA-N -1 3 381.400 -0.018 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnc2n1CCC2 ZINC001571175442 952822889 /nfs/dbraw/zinc/82/28/89/952822889.db2.gz CYBCSAFWEMAFML-LLVKDONJSA-N -1 3 381.400 -0.018 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](O)[C@H](NC(=O)c3ccnc(C)n3)C2)n1 ZINC001571175592 952822909 /nfs/dbraw/zinc/82/29/09/952822909.db2.gz WEINCOJWZZJOAU-ZIAGYGMSSA-N -1 3 381.400 -0.352 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](O)[C@H](NC(=O)c3ccnc(C)n3)C2)n1 ZINC001571175592 952822903 /nfs/dbraw/zinc/82/29/03/952822903.db2.gz WEINCOJWZZJOAU-ZIAGYGMSSA-N -1 3 381.400 -0.352 20 0 GBADHM Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc(CO)n1 ZINC001571175616 952823919 /nfs/dbraw/zinc/82/39/19/952823919.db2.gz XFZPLSPIMGSGEC-RYUDHWBXSA-N -1 3 381.400 -0.111 20 0 GBADHM Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc(CO)n1 ZINC001571175616 952823914 /nfs/dbraw/zinc/82/39/14/952823914.db2.gz XFZPLSPIMGSGEC-RYUDHWBXSA-N -1 3 381.400 -0.111 20 0 GBADHM Cc1nc[nH]c1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571175626 952823834 /nfs/dbraw/zinc/82/38/34/952823834.db2.gz XMWZSCRZXNDBLS-RTUWITSCSA-N -1 3 381.400 -0.344 20 0 GBADHM Cn1cc(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001571175650 952823955 /nfs/dbraw/zinc/82/39/55/952823955.db2.gz DDWUFOBQEMJVQC-HBYGRHMLSA-N -1 3 381.400 -0.642 20 0 GBADHM Cn1cc(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001571175650 952823948 /nfs/dbraw/zinc/82/39/48/952823948.db2.gz DDWUFOBQEMJVQC-HBYGRHMLSA-N -1 3 381.400 -0.642 20 0 GBADHM Cn1cncc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571175689 952825637 /nfs/dbraw/zinc/82/56/37/952825637.db2.gz FENAFFSWERJRKC-HBYGRHMLSA-N -1 3 381.400 -0.642 20 0 GBADHM Cn1cncc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571175689 952825632 /nfs/dbraw/zinc/82/56/32/952825632.db2.gz FENAFFSWERJRKC-HBYGRHMLSA-N -1 3 381.400 -0.642 20 0 GBADHM Cc1ncncc1C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571175710 952825441 /nfs/dbraw/zinc/82/54/41/952825441.db2.gz FTARKCYNTRJXFJ-KBPBESRZSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ncncc1C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571175710 952825438 /nfs/dbraw/zinc/82/54/38/952825438.db2.gz FTARKCYNTRJXFJ-KBPBESRZSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ncncc1C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571175711 952824841 /nfs/dbraw/zinc/82/48/41/952824841.db2.gz FTARKCYNTRJXFJ-KGLIPLIRSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ncncc1C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571175711 952824837 /nfs/dbraw/zinc/82/48/37/952824837.db2.gz FTARKCYNTRJXFJ-KGLIPLIRSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ncncc1C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001571175712 952824431 /nfs/dbraw/zinc/82/44/31/952824431.db2.gz FTARKCYNTRJXFJ-UONOGXRCSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ncncc1C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001571175712 952824425 /nfs/dbraw/zinc/82/44/25/952824425.db2.gz FTARKCYNTRJXFJ-UONOGXRCSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ncncc1C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001571175713 952824968 /nfs/dbraw/zinc/82/49/68/952824968.db2.gz FTARKCYNTRJXFJ-ZIAGYGMSSA-N -1 3 381.400 -0.270 20 0 GBADHM Cc1ncncc1C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001571175713 952824964 /nfs/dbraw/zinc/82/49/64/952824964.db2.gz FTARKCYNTRJXFJ-ZIAGYGMSSA-N -1 3 381.400 -0.270 20 0 GBADHM O=C(CCc1ncc[nH]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571175726 952824716 /nfs/dbraw/zinc/82/47/16/952824716.db2.gz GMSJBFURWJDNQJ-RTUWITSCSA-N -1 3 381.400 -0.263 20 0 GBADHM O=C(CCc1ncc[nH]1)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571175726 952824708 /nfs/dbraw/zinc/82/47/08/952824708.db2.gz GMSJBFURWJDNQJ-RTUWITSCSA-N -1 3 381.400 -0.263 20 0 GBADHM O=C(Cc1cnc[nH]1)N1CC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571175888 952825933 /nfs/dbraw/zinc/82/59/33/952825933.db2.gz HBKWJADKULDQBA-UHFFFAOYSA-N -1 3 381.400 -0.165 20 0 GBADHM O=C(Cc1ncc[nH]1)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571175892 952826180 /nfs/dbraw/zinc/82/61/80/952826180.db2.gz HEUFENXLFOVJCM-CNDDSTCGSA-N -1 3 381.400 -0.405 20 0 GBADHM O=C(Cc1ncc[nH]1)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571175892 952826173 /nfs/dbraw/zinc/82/61/73/952826173.db2.gz HEUFENXLFOVJCM-CNDDSTCGSA-N -1 3 381.400 -0.405 20 0 GBADHM Cc1nc(N2CCO[C@H](CNC(=O)c3ccncn3)C2)ccc1-c1nn[n-]n1 ZINC001571175923 952826730 /nfs/dbraw/zinc/82/67/30/952826730.db2.gz IHAHEXIQIMZLDS-GFCCVEGCSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1nc(N2CCO[C@H](CNC(=O)c3ccncn3)C2)ccc1-c1nnn[n-]1 ZINC001571175923 952826722 /nfs/dbraw/zinc/82/67/22/952826722.db2.gz IHAHEXIQIMZLDS-GFCCVEGCSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1nc(N2CCO[C@@H](CNC(=O)c3ccncn3)C2)ccc1-c1nn[n-]n1 ZINC001571175924 952826093 /nfs/dbraw/zinc/82/60/93/952826093.db2.gz IHAHEXIQIMZLDS-LBPRGKRZSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1nc(N2CCO[C@@H](CNC(=O)c3ccncn3)C2)ccc1-c1nnn[n-]1 ZINC001571175924 952826083 /nfs/dbraw/zinc/82/60/83/952826083.db2.gz IHAHEXIQIMZLDS-LBPRGKRZSA-N -1 3 381.400 -0.005 20 0 GBADHM Cn1cc(CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)cn1 ZINC001571175932 952826448 /nfs/dbraw/zinc/82/64/48/952826448.db2.gz IPYJPQZCOWGYHA-JYAVWHMHSA-N -1 3 381.400 -0.642 20 0 GBADHM Cn1cc(CC(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)cn1 ZINC001571175932 952826443 /nfs/dbraw/zinc/82/64/43/952826443.db2.gz IPYJPQZCOWGYHA-JYAVWHMHSA-N -1 3 381.400 -0.642 20 0 GBADHM Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)cn1 ZINC001571175946 952827882 /nfs/dbraw/zinc/82/78/82/952827882.db2.gz JDOQDELQZJNUFC-QMTHXVAHSA-N -1 3 381.400 -0.085 20 0 GBADHM Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)cn1 ZINC001571175946 952827878 /nfs/dbraw/zinc/82/78/78/952827878.db2.gz JDOQDELQZJNUFC-QMTHXVAHSA-N -1 3 381.400 -0.085 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cn3c(n2)CCC3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571175951 952827807 /nfs/dbraw/zinc/82/78/07/952827807.db2.gz JLNFVPDKPJMRLZ-SNVBAGLBSA-N -1 3 381.400 -0.018 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cn3c(n2)CCC3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571175951 952827802 /nfs/dbraw/zinc/82/78/02/952827802.db2.gz JLNFVPDKPJMRLZ-SNVBAGLBSA-N -1 3 381.400 -0.018 20 0 GBADHM O=C(Cc1ncc[nH]1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571175953 952828084 /nfs/dbraw/zinc/82/80/84/952828084.db2.gz JMAHQJOQEJVUSM-TXEJJXNPSA-N -1 3 381.400 -0.024 20 0 GBADHM O=C(Cc1ncc[nH]1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571175953 952828078 /nfs/dbraw/zinc/82/80/78/952828078.db2.gz JMAHQJOQEJVUSM-TXEJJXNPSA-N -1 3 381.400 -0.024 20 0 GBADHM Cn1cnc(C(=O)N2CC[C@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)c1 ZINC001571175962 952827900 /nfs/dbraw/zinc/82/79/00/952827900.db2.gz KABSRSRPTRWQCG-IINYFYTJSA-N -1 3 381.400 -0.085 20 0 GBADHM Cn1cnc(C(=O)N2CC[C@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)c1 ZINC001571175962 952827896 /nfs/dbraw/zinc/82/78/96/952827896.db2.gz KABSRSRPTRWQCG-IINYFYTJSA-N -1 3 381.400 -0.085 20 0 GBADHM Cn1cncc1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001571175976 952827462 /nfs/dbraw/zinc/82/74/62/952827462.db2.gz KIYHZGGOZKAKOO-IINYFYTJSA-N -1 3 381.400 -0.085 20 0 GBADHM Cn1cncc1C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001571175976 952827459 /nfs/dbraw/zinc/82/74/59/952827459.db2.gz KIYHZGGOZKAKOO-IINYFYTJSA-N -1 3 381.400 -0.085 20 0 GBADHM Cc1ncncc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001571175978 952827556 /nfs/dbraw/zinc/82/75/56/952827556.db2.gz KJZLVNGJLDTKKI-ZIAGYGMSSA-N -1 3 381.400 -0.352 20 0 GBADHM Cc1ncncc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1O ZINC001571175978 952827552 /nfs/dbraw/zinc/82/75/52/952827552.db2.gz KJZLVNGJLDTKKI-ZIAGYGMSSA-N -1 3 381.400 -0.352 20 0 GBADHM Cn1nc(C(=O)NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)ccc1=O ZINC001571175983 952827775 /nfs/dbraw/zinc/82/77/75/952827775.db2.gz KNAJKBVQINUCSZ-UHFFFAOYSA-N -1 3 381.400 -0.246 20 0 GBADHM Cn1nc(C(=O)NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)ccc1=O ZINC001571175983 952827770 /nfs/dbraw/zinc/82/77/70/952827770.db2.gz KNAJKBVQINUCSZ-UHFFFAOYSA-N -1 3 381.400 -0.246 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cn2c(n1)CCC2 ZINC001571175985 952828303 /nfs/dbraw/zinc/82/83/03/952828303.db2.gz KOFUKFPZSYHDAK-DGCLKSJQSA-N -1 3 381.400 -0.616 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cn2c(n1)CCC2 ZINC001571175985 952828297 /nfs/dbraw/zinc/82/82/97/952828297.db2.gz KOFUKFPZSYHDAK-DGCLKSJQSA-N -1 3 381.400 -0.616 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cn2c(n1)CCC2 ZINC001571175986 952828212 /nfs/dbraw/zinc/82/82/12/952828212.db2.gz KOFUKFPZSYHDAK-YPMHNXCESA-N -1 3 381.400 -0.616 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cn2c(n1)CCC2 ZINC001571175986 952828206 /nfs/dbraw/zinc/82/82/06/952828206.db2.gz KOFUKFPZSYHDAK-YPMHNXCESA-N -1 3 381.400 -0.616 20 0 GBADHM O=C(Cc1cncnc1)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571176100 952828151 /nfs/dbraw/zinc/82/81/51/952828151.db2.gz KYNMOVGBBVWUPB-GFCCVEGCSA-N -1 3 381.400 -0.052 20 0 GBADHM O=C(Cc1cncnc1)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571176100 952828147 /nfs/dbraw/zinc/82/81/47/952828147.db2.gz KYNMOVGBBVWUPB-GFCCVEGCSA-N -1 3 381.400 -0.052 20 0 GBADHM O=C(Cc1cncnc1)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571176101 952828066 /nfs/dbraw/zinc/82/80/66/952828066.db2.gz KYNMOVGBBVWUPB-LBPRGKRZSA-N -1 3 381.400 -0.052 20 0 GBADHM O=C(Cc1cncnc1)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571176101 952828061 /nfs/dbraw/zinc/82/80/61/952828061.db2.gz KYNMOVGBBVWUPB-LBPRGKRZSA-N -1 3 381.400 -0.052 20 0 GBADHM O=C(NC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571176106 952828449 /nfs/dbraw/zinc/82/84/49/952828449.db2.gz LESABAZJPBGQAM-LLVKDONJSA-N -1 3 381.400 -0.009 20 0 GBADHM O=C(NC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571176106 952828444 /nfs/dbraw/zinc/82/84/44/952828444.db2.gz LESABAZJPBGQAM-LLVKDONJSA-N -1 3 381.400 -0.009 20 0 GBADHM O=C(NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571176107 952827690 /nfs/dbraw/zinc/82/76/90/952827690.db2.gz LESABAZJPBGQAM-NSHDSACASA-N -1 3 381.400 -0.009 20 0 GBADHM O=C(NC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)c1c[nH]c(=O)cn1 ZINC001571176107 952827685 /nfs/dbraw/zinc/82/76/85/952827685.db2.gz LESABAZJPBGQAM-NSHDSACASA-N -1 3 381.400 -0.009 20 0 GBADHM Cn1nccc1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571176114 952828686 /nfs/dbraw/zinc/82/86/86/952828686.db2.gz LMPOBESTOWPMCN-CNDDSTCGSA-N -1 3 381.400 -0.324 20 0 GBADHM Cn1nccc1C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571176114 952828678 /nfs/dbraw/zinc/82/86/78/952828678.db2.gz LMPOBESTOWPMCN-CNDDSTCGSA-N -1 3 381.400 -0.324 20 0 GBADHM O=C(Cn1cccn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571176119 952829041 /nfs/dbraw/zinc/82/90/41/952829041.db2.gz LSUUQXPHVOOZDG-DYEKYZERSA-N -1 3 381.400 -0.047 20 0 GBADHM O=C(Cn1cccn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001571176119 952829038 /nfs/dbraw/zinc/82/90/38/952829038.db2.gz LSUUQXPHVOOZDG-DYEKYZERSA-N -1 3 381.400 -0.047 20 0 GBADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)c1cn2c(n1)COCC2 ZINC001571176129 952829587 /nfs/dbraw/zinc/82/95/87/952829587.db2.gz MALSUYUYLZALFD-NSHDSACASA-N -1 3 381.400 -0.003 20 0 GBADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)c1cn2c(n1)COCC2 ZINC001571176129 952829584 /nfs/dbraw/zinc/82/95/84/952829584.db2.gz MALSUYUYLZALFD-NSHDSACASA-N -1 3 381.400 -0.003 20 0 GBADHM Cn1cnc(C(=O)N[C@H]2C[C@H](CNc3ncccc3-c3nn[n-]n3)C2)cc1=O ZINC001571176138 952829532 /nfs/dbraw/zinc/82/95/32/952829532.db2.gz MHQQINCQZDJKDQ-XYPYZODXSA-N -1 3 381.400 -0.024 20 0 GBADHM Cn1cnc(C(=O)N[C@H]2C[C@H](CNc3ncccc3-c3nnn[n-]3)C2)cc1=O ZINC001571176138 952829527 /nfs/dbraw/zinc/82/95/27/952829527.db2.gz MHQQINCQZDJKDQ-XYPYZODXSA-N -1 3 381.400 -0.024 20 0 GBADHM Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571176144 952829545 /nfs/dbraw/zinc/82/95/45/952829545.db2.gz MJDOIEFWFNFSCG-IMRBUKKESA-N -1 3 381.400 -0.263 20 0 GBADHM Cc1nn(C)cc1C(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571176144 952829542 /nfs/dbraw/zinc/82/95/42/952829542.db2.gz MJDOIEFWFNFSCG-IMRBUKKESA-N -1 3 381.400 -0.263 20 0 GBADHM Cn1cc(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]3C2)[nH]c1=O ZINC001571176154 952829628 /nfs/dbraw/zinc/82/96/28/952829628.db2.gz MTVCLNOUPLRYOR-TXEJJXNPSA-N -1 3 381.400 -0.091 20 0 GBADHM Cn1nccc1C(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571176315 952831157 /nfs/dbraw/zinc/83/11/57/952831157.db2.gz PCHZNMUWDCLJKF-IINYFYTJSA-N -1 3 381.400 -0.085 20 0 GBADHM Cn1nccc1C(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571176315 952831153 /nfs/dbraw/zinc/83/11/53/952831153.db2.gz PCHZNMUWDCLJKF-IINYFYTJSA-N -1 3 381.400 -0.085 20 0 GBADHM NC(=O)C1CCN(C(=O)Cn2nnc(-c3ccccc3)c2-c2nnn[n-]2)CC1 ZINC001571176325 952830306 /nfs/dbraw/zinc/83/03/06/952830306.db2.gz PLUSLLCVBMPLHV-UHFFFAOYSA-N -1 3 381.400 -0.151 20 0 GBADHM Cn1cnc(C(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571176338 952830687 /nfs/dbraw/zinc/83/06/87/952830687.db2.gz PUDPJSPKSJKMPB-LLVKDONJSA-N -1 3 381.400 -0.070 20 0 GBADHM Cn1cnc(C(=O)N2CC[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571176338 952830684 /nfs/dbraw/zinc/83/06/84/952830684.db2.gz PUDPJSPKSJKMPB-LLVKDONJSA-N -1 3 381.400 -0.070 20 0 GBADHM Cn1cnc(C(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571176339 952830256 /nfs/dbraw/zinc/83/02/56/952830256.db2.gz PUDPJSPKSJKMPB-NSHDSACASA-N -1 3 381.400 -0.070 20 0 GBADHM Cn1cnc(C(=O)N2CC[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571176339 952830253 /nfs/dbraw/zinc/83/02/53/952830253.db2.gz PUDPJSPKSJKMPB-NSHDSACASA-N -1 3 381.400 -0.070 20 0 GBADHM Cn1cnc(C(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)c1 ZINC001571176363 952831061 /nfs/dbraw/zinc/83/10/61/952831061.db2.gz QPGABNXXEWVRKJ-QMTHXVAHSA-N -1 3 381.400 -0.085 20 0 GBADHM Cn1cnc(C(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)c1 ZINC001571176363 952831055 /nfs/dbraw/zinc/83/10/55/952831055.db2.gz QPGABNXXEWVRKJ-QMTHXVAHSA-N -1 3 381.400 -0.085 20 0 GBADHM O=C(CCc1cncnc1)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571176378 952830457 /nfs/dbraw/zinc/83/04/57/952830457.db2.gz QTRLENDQGQHXNT-UHFFFAOYSA-N -1 3 381.400 -0.098 20 0 GBADHM O=C(CCc1cncnc1)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571176378 952830450 /nfs/dbraw/zinc/83/04/50/952830450.db2.gz QTRLENDQGQHXNT-UHFFFAOYSA-N -1 3 381.400 -0.098 20 0 GBADHM O=C(Cn1ccnc1)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571176397 952832542 /nfs/dbraw/zinc/83/25/42/952832542.db2.gz RCSSBCCXZSRLNQ-UHFFFAOYSA-N -1 3 381.400 -0.234 20 0 GBADHM O=C(Cn1ccnc1)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001571176397 952832535 /nfs/dbraw/zinc/83/25/35/952832535.db2.gz RCSSBCCXZSRLNQ-UHFFFAOYSA-N -1 3 381.400 -0.234 20 0 GBADHM Cn1nc(C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nc3)C2)ccc1=O ZINC001571176475 952831951 /nfs/dbraw/zinc/83/19/51/952831951.db2.gz RGZQYCGACMNWHA-UHFFFAOYSA-N -1 3 381.400 -0.024 20 0 GBADHM Cn1nc(C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nc3)C2)ccc1=O ZINC001571176475 952831944 /nfs/dbraw/zinc/83/19/44/952831944.db2.gz RGZQYCGACMNWHA-UHFFFAOYSA-N -1 3 381.400 -0.024 20 0 GBADHM Cc1nnccc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571176477 952832375 /nfs/dbraw/zinc/83/23/75/952832375.db2.gz RLUZMZGARDQICA-CYBMUJFWSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1nnccc1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571176477 952832369 /nfs/dbraw/zinc/83/23/69/952832369.db2.gz RLUZMZGARDQICA-CYBMUJFWSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1nnccc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001571176478 952832344 /nfs/dbraw/zinc/83/23/44/952832344.db2.gz RLUZMZGARDQICA-ZDUSSCGKSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1nnccc1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001571176478 952832340 /nfs/dbraw/zinc/83/23/40/952832340.db2.gz RLUZMZGARDQICA-ZDUSSCGKSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1ccnn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571176485 952832152 /nfs/dbraw/zinc/83/21/52/952832152.db2.gz RRFVCCBKECVOHH-JYAVWHMHSA-N -1 3 381.400 -0.413 20 0 GBADHM Cc1ccnn1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571176485 952832150 /nfs/dbraw/zinc/83/21/50/952832150.db2.gz RRFVCCBKECVOHH-JYAVWHMHSA-N -1 3 381.400 -0.413 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1cn2c(n1)CCC2 ZINC001571176498 952832126 /nfs/dbraw/zinc/83/21/26/952832126.db2.gz SAAJMXNDKOVQJM-OCCSQVGLSA-N -1 3 381.400 -0.616 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1cn2c(n1)CCC2 ZINC001571176498 952832125 /nfs/dbraw/zinc/83/21/25/952832125.db2.gz SAAJMXNDKOVQJM-OCCSQVGLSA-N -1 3 381.400 -0.616 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1cn2c(n1)CCC2 ZINC001571176499 952831734 /nfs/dbraw/zinc/83/17/34/952831734.db2.gz SAAJMXNDKOVQJM-TZMCWYRMSA-N -1 3 381.400 -0.616 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1cn2c(n1)CCC2 ZINC001571176499 952831727 /nfs/dbraw/zinc/83/17/27/952831727.db2.gz SAAJMXNDKOVQJM-TZMCWYRMSA-N -1 3 381.400 -0.616 20 0 GBADHM Cn1nc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nc3)C2)ccc1=O ZINC001571176508 952831475 /nfs/dbraw/zinc/83/14/75/952831475.db2.gz SDGQCBXCGFXBFA-UHFFFAOYSA-N -1 3 381.400 -0.024 20 0 GBADHM Cn1nc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)nc3)C2)ccc1=O ZINC001571176508 952831473 /nfs/dbraw/zinc/83/14/73/952831473.db2.gz SDGQCBXCGFXBFA-UHFFFAOYSA-N -1 3 381.400 -0.024 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2cn3c(n2)CCC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571176511 952831501 /nfs/dbraw/zinc/83/15/01/952831501.db2.gz SDYPCDKHJBGWSW-NSHDSACASA-N -1 3 381.400 -0.018 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2cn3c(n2)CCC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571176511 952831497 /nfs/dbraw/zinc/83/14/97/952831497.db2.gz SDYPCDKHJBGWSW-NSHDSACASA-N -1 3 381.400 -0.018 20 0 GBADHM Cc1nc(N2CCO[C@H](CNC(=O)c3ccnnc3)C2)ccc1-c1nn[n-]n1 ZINC001571176517 952831875 /nfs/dbraw/zinc/83/18/75/952831875.db2.gz SJWXZEWVSQJLKE-CYBMUJFWSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1nc(N2CCO[C@H](CNC(=O)c3ccnnc3)C2)ccc1-c1nnn[n-]1 ZINC001571176517 952831873 /nfs/dbraw/zinc/83/18/73/952831873.db2.gz SJWXZEWVSQJLKE-CYBMUJFWSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1nc(N2CCO[C@@H](CNC(=O)c3ccnnc3)C2)ccc1-c1nn[n-]n1 ZINC001571176518 952832085 /nfs/dbraw/zinc/83/20/85/952832085.db2.gz SJWXZEWVSQJLKE-ZDUSSCGKSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1nc(N2CCO[C@@H](CNC(=O)c3ccnnc3)C2)ccc1-c1nnn[n-]1 ZINC001571176518 952832082 /nfs/dbraw/zinc/83/20/82/952832082.db2.gz SJWXZEWVSQJLKE-ZDUSSCGKSA-N -1 3 381.400 -0.005 20 0 GBADHM O=C(Cc1cncnc1)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571176544 952833055 /nfs/dbraw/zinc/83/30/55/952833055.db2.gz UICYXRCDFCLXFP-GSJFWJNXSA-N -1 3 381.400 -0.148 20 0 GBADHM O=C(Cc1cncnc1)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571176544 952833050 /nfs/dbraw/zinc/83/30/50/952833050.db2.gz UICYXRCDFCLXFP-GSJFWJNXSA-N -1 3 381.400 -0.148 20 0 GBADHM Cn1nc(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nn[n-]n3)C2)ccc1=O ZINC001571176572 952833232 /nfs/dbraw/zinc/83/32/32/952833232.db2.gz UZLXZAVXLLMTQN-LLVKDONJSA-N -1 3 381.400 -0.246 20 0 GBADHM Cn1nc(C(=O)N[C@@H]2CCCN(c3ncccc3-c3nnn[n-]3)C2)ccc1=O ZINC001571176572 952833231 /nfs/dbraw/zinc/83/32/31/952833231.db2.gz UZLXZAVXLLMTQN-LLVKDONJSA-N -1 3 381.400 -0.246 20 0 GBADHM Cc1ccnc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)n1 ZINC001571176575 952833070 /nfs/dbraw/zinc/83/30/70/952833070.db2.gz VBPJFVQRNNWKOX-CYBMUJFWSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1ccnc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)n1 ZINC001571176575 952833064 /nfs/dbraw/zinc/83/30/64/952833064.db2.gz VBPJFVQRNNWKOX-CYBMUJFWSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1ccnc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)n1 ZINC001571176576 952832938 /nfs/dbraw/zinc/83/29/38/952832938.db2.gz VBPJFVQRNNWKOX-ZDUSSCGKSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1ccnc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)n1 ZINC001571176576 952832933 /nfs/dbraw/zinc/83/29/33/952832933.db2.gz VBPJFVQRNNWKOX-ZDUSSCGKSA-N -1 3 381.400 -0.005 20 0 GBADHM Cn1cnc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571176591 952832951 /nfs/dbraw/zinc/83/29/51/952832951.db2.gz VLQNFNFXPTYJFW-GFCCVEGCSA-N -1 3 381.400 -0.246 20 0 GBADHM Cn1cnc(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571176591 952832948 /nfs/dbraw/zinc/83/29/48/952832948.db2.gz VLQNFNFXPTYJFW-GFCCVEGCSA-N -1 3 381.400 -0.246 20 0 GBADHM Cn1cnc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571176612 952833866 /nfs/dbraw/zinc/83/38/66/952833866.db2.gz VWLATHRWEYHIGI-UMSPYCQHSA-N -1 3 381.400 -0.024 20 0 GBADHM Cn1cnc(C(=O)NC[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571176612 952833862 /nfs/dbraw/zinc/83/38/62/952833862.db2.gz VWLATHRWEYHIGI-UMSPYCQHSA-N -1 3 381.400 -0.024 20 0 GBADHM Cn1cnc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccc(-c5nn[n-]n5)[nH]4)[C@@H]3C2)c1 ZINC001571176620 952834494 /nfs/dbraw/zinc/83/44/94/952834494.db2.gz WHQGPKGLODSLGM-RTCCRHLQSA-N -1 3 381.400 -0.324 20 0 GBADHM Cn1cnc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4ccc(-c5nnn[n-]5)[nH]4)[C@@H]3C2)c1 ZINC001571176620 952834487 /nfs/dbraw/zinc/83/44/87/952834487.db2.gz WHQGPKGLODSLGM-RTCCRHLQSA-N -1 3 381.400 -0.324 20 0 GBADHM Cc1cnc(C(=O)NC[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CCO2)cn1 ZINC001571176639 952834788 /nfs/dbraw/zinc/83/47/88/952834788.db2.gz WPPIRDQKKWXFHP-GFCCVEGCSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1cnc(C(=O)NC[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CCO2)cn1 ZINC001571176639 952834780 /nfs/dbraw/zinc/83/47/80/952834780.db2.gz WPPIRDQKKWXFHP-GFCCVEGCSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1cnc(C(=O)NC[C@H]2CN(c3ncccc3-c3nn[n-]n3)CCO2)cn1 ZINC001571176640 952834637 /nfs/dbraw/zinc/83/46/37/952834637.db2.gz WPPIRDQKKWXFHP-LBPRGKRZSA-N -1 3 381.400 -0.005 20 0 GBADHM Cc1cnc(C(=O)NC[C@H]2CN(c3ncccc3-c3nnn[n-]3)CCO2)cn1 ZINC001571176640 952834630 /nfs/dbraw/zinc/83/46/30/952834630.db2.gz WPPIRDQKKWXFHP-LBPRGKRZSA-N -1 3 381.400 -0.005 20 0 GBADHM Cn1nccc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571176642 952834858 /nfs/dbraw/zinc/83/48/58/952834858.db2.gz WQDWVPXEUCIMTC-JYAVWHMHSA-N -1 3 381.400 -0.642 20 0 GBADHM Cn1nccc1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571176642 952834854 /nfs/dbraw/zinc/83/48/54/952834854.db2.gz WQDWVPXEUCIMTC-JYAVWHMHSA-N -1 3 381.400 -0.642 20 0 GBADHM Cn1cc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)cn1 ZINC001571176648 952834434 /nfs/dbraw/zinc/83/44/34/952834434.db2.gz WUIBHZSYLZRMFF-CNDDSTCGSA-N -1 3 381.400 -0.324 20 0 GBADHM Cn1cc(C(=O)NC[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)cn1 ZINC001571176648 952834429 /nfs/dbraw/zinc/83/44/29/952834429.db2.gz WUIBHZSYLZRMFF-CNDDSTCGSA-N -1 3 381.400 -0.324 20 0 GBADHM Cn1ccc(C(=O)N2CCC3(CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)C2)n1 ZINC001571176665 952834199 /nfs/dbraw/zinc/83/41/99/952834199.db2.gz XAWKBWVBYHQFNE-UHFFFAOYSA-N -1 3 381.400 -0.083 20 0 GBADHM Cn1ccc(C(=O)N2CCC3(CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C3)C2)n1 ZINC001571176665 952834194 /nfs/dbraw/zinc/83/41/94/952834194.db2.gz XAWKBWVBYHQFNE-UHFFFAOYSA-N -1 3 381.400 -0.083 20 0 GBADHM Cn1cnc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571176697 952835067 /nfs/dbraw/zinc/83/50/67/952835067.db2.gz XNVHTCXEERUVTC-LLVKDONJSA-N -1 3 381.400 -0.388 20 0 GBADHM Cn1cnc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571176697 952835063 /nfs/dbraw/zinc/83/50/63/952835063.db2.gz XNVHTCXEERUVTC-LLVKDONJSA-N -1 3 381.400 -0.388 20 0 GBADHM Cn1cnc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cc1=O ZINC001571176700 952835007 /nfs/dbraw/zinc/83/50/07/952835007.db2.gz XNVHTCXEERUVTC-NSHDSACASA-N -1 3 381.400 -0.388 20 0 GBADHM Cn1cnc(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cc1=O ZINC001571176700 952835001 /nfs/dbraw/zinc/83/50/01/952835001.db2.gz XNVHTCXEERUVTC-NSHDSACASA-N -1 3 381.400 -0.388 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cc(C2CC2)n[nH]1 ZINC001571176825 952834551 /nfs/dbraw/zinc/83/45/51/952834551.db2.gz YKIKJGLLUYXXIO-ZIAGYGMSSA-N -1 3 381.400 -0.158 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cc(C2CC2)n[nH]1 ZINC001571176825 952834546 /nfs/dbraw/zinc/83/45/46/952834546.db2.gz YKIKJGLLUYXXIO-ZIAGYGMSSA-N -1 3 381.400 -0.158 20 0 GBADHM O=C(CCn1cnccc1=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571176903 952835472 /nfs/dbraw/zinc/83/54/72/952835472.db2.gz ZDSXUOMFSRZRSN-UHFFFAOYSA-N -1 3 381.400 -0.443 20 0 GBADHM O=C(CCn1cnccc1=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571176903 952835466 /nfs/dbraw/zinc/83/54/66/952835466.db2.gz ZDSXUOMFSRZRSN-UHFFFAOYSA-N -1 3 381.400 -0.443 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571176905 952835543 /nfs/dbraw/zinc/83/55/43/952835543.db2.gz ZKHWRWOPRZLSTQ-LLVKDONJSA-N -1 3 381.400 -0.018 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cc3n(n2)CCC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571176905 952835538 /nfs/dbraw/zinc/83/55/38/952835538.db2.gz ZKHWRWOPRZLSTQ-LLVKDONJSA-N -1 3 381.400 -0.018 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2cc3n(n2)CCC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571176908 952835323 /nfs/dbraw/zinc/83/53/23/952835323.db2.gz ZKHWRWOPRZLSTQ-NSHDSACASA-N -1 3 381.400 -0.018 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2cc3n(n2)CCC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571176908 952835319 /nfs/dbraw/zinc/83/53/19/952835319.db2.gz ZKHWRWOPRZLSTQ-NSHDSACASA-N -1 3 381.400 -0.018 20 0 GBADHM O=C(Cc1nc[nH]n1)NC1CC2(C1)CC(Nc1nccnc1-c1nn[n-]n1)C2 ZINC001571178180 952836695 /nfs/dbraw/zinc/83/66/95/952836695.db2.gz AOQITIPFOJIOLB-UHFFFAOYSA-N -1 3 381.404 -0.143 20 0 GBADHM O=C(Cc1nc[nH]n1)NC1CC2(C1)CC(Nc1nccnc1-c1nnn[n-]1)C2 ZINC001571178180 952836691 /nfs/dbraw/zinc/83/66/91/952836691.db2.gz AOQITIPFOJIOLB-UHFFFAOYSA-N -1 3 381.404 -0.143 20 0 GBADHM Cn1nnc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571178192 952835614 /nfs/dbraw/zinc/83/56/14/952835614.db2.gz AWRAFXOPRREZOV-GHMZBOCLSA-N -1 3 381.404 -0.062 20 0 GBADHM Cn1nnc(C(=O)N[C@@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571178192 952835608 /nfs/dbraw/zinc/83/56/08/952835608.db2.gz AWRAFXOPRREZOV-GHMZBOCLSA-N -1 3 381.404 -0.062 20 0 GBADHM Cn1nnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571178193 952835980 /nfs/dbraw/zinc/83/59/80/952835980.db2.gz AWRAFXOPRREZOV-MNOVXSKESA-N -1 3 381.404 -0.062 20 0 GBADHM Cn1nnc(C(=O)N[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571178193 952835974 /nfs/dbraw/zinc/83/59/74/952835974.db2.gz AWRAFXOPRREZOV-MNOVXSKESA-N -1 3 381.404 -0.062 20 0 GBADHM Cn1nnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571178194 952836334 /nfs/dbraw/zinc/83/63/34/952836334.db2.gz AWRAFXOPRREZOV-QWRGUYRKSA-N -1 3 381.404 -0.062 20 0 GBADHM Cn1nnc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571178194 952836330 /nfs/dbraw/zinc/83/63/30/952836330.db2.gz AWRAFXOPRREZOV-QWRGUYRKSA-N -1 3 381.404 -0.062 20 0 GBADHM Cn1nnc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C23CCC3)n1 ZINC001571178195 952835782 /nfs/dbraw/zinc/83/57/82/952835782.db2.gz AWRAFXOPRREZOV-WDEREUQCSA-N -1 3 381.404 -0.062 20 0 GBADHM Cn1nnc(C(=O)N[C@@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C23CCC3)n1 ZINC001571178195 952835777 /nfs/dbraw/zinc/83/57/77/952835777.db2.gz AWRAFXOPRREZOV-WDEREUQCSA-N -1 3 381.404 -0.062 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCS(=O)(=O)C[C@H]1CCO ZINC001571178208 952835352 /nfs/dbraw/zinc/83/53/52/952835352.db2.gz BIOLALJLVQRABP-LLVKDONJSA-N -1 3 381.414 -0.503 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCS(=O)(=O)C[C@H]1CCO ZINC001571178208 952835342 /nfs/dbraw/zinc/83/53/42/952835342.db2.gz BIOLALJLVQRABP-LLVKDONJSA-N -1 3 381.414 -0.503 20 0 GBADHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001571178209 952837978 /nfs/dbraw/zinc/83/79/78/952837978.db2.gz BIOLALJLVQRABP-NSHDSACASA-N -1 3 381.414 -0.503 20 0 GBADHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001571178209 952837974 /nfs/dbraw/zinc/83/79/74/952837974.db2.gz BIOLALJLVQRABP-NSHDSACASA-N -1 3 381.414 -0.503 20 0 GBADHM O=C(Cn1cnnn1)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC001571178219 952837950 /nfs/dbraw/zinc/83/79/50/952837950.db2.gz BMBMWDOBHCAPDZ-CHWSQXEVSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1cnnn1)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC001571178219 952837945 /nfs/dbraw/zinc/83/79/45/952837945.db2.gz BMBMWDOBHCAPDZ-CHWSQXEVSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1cnnn1)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC001571178220 952837128 /nfs/dbraw/zinc/83/71/28/952837128.db2.gz BMBMWDOBHCAPDZ-OLZOCXBDSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1cnnn1)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC001571178220 952837124 /nfs/dbraw/zinc/83/71/24/952837124.db2.gz BMBMWDOBHCAPDZ-OLZOCXBDSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1cnnn1)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC001571178221 952838012 /nfs/dbraw/zinc/83/80/12/952838012.db2.gz BMBMWDOBHCAPDZ-QWHCGFSZSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1cnnn1)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC001571178221 952838007 /nfs/dbraw/zinc/83/80/07/952838007.db2.gz BMBMWDOBHCAPDZ-QWHCGFSZSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1cnnn1)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C12CCC2 ZINC001571178222 952837539 /nfs/dbraw/zinc/83/75/39/952837539.db2.gz BMBMWDOBHCAPDZ-STQMWFEESA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1cnnn1)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C12CCC2 ZINC001571178222 952837537 /nfs/dbraw/zinc/83/75/37/952837537.db2.gz BMBMWDOBHCAPDZ-STQMWFEESA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cc1nc[nH]n1)N[C@@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001571178257 952837845 /nfs/dbraw/zinc/83/78/45/952837845.db2.gz DBIGLGVEPWDDPA-NXEZZACHSA-N -1 3 381.404 -0.143 20 0 GBADHM O=C(Cc1nc[nH]n1)N[C@@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001571178257 952837841 /nfs/dbraw/zinc/83/78/41/952837841.db2.gz DBIGLGVEPWDDPA-NXEZZACHSA-N -1 3 381.404 -0.143 20 0 GBADHM O=C(Cc1nc[nH]n1)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001571178258 952837414 /nfs/dbraw/zinc/83/74/14/952837414.db2.gz DBIGLGVEPWDDPA-UWVGGRQHSA-N -1 3 381.404 -0.143 20 0 GBADHM O=C(Cc1nc[nH]n1)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001571178258 952837405 /nfs/dbraw/zinc/83/74/05/952837405.db2.gz DBIGLGVEPWDDPA-UWVGGRQHSA-N -1 3 381.404 -0.143 20 0 GBADHM O=C(Cc1nc[nH]n1)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001571178259 952837662 /nfs/dbraw/zinc/83/76/62/952837662.db2.gz DBIGLGVEPWDDPA-VHSXEESVSA-N -1 3 381.404 -0.143 20 0 GBADHM O=C(Cc1nc[nH]n1)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001571178259 952837654 /nfs/dbraw/zinc/83/76/54/952837654.db2.gz DBIGLGVEPWDDPA-VHSXEESVSA-N -1 3 381.404 -0.143 20 0 GBADHM O=C(Cc1nc[nH]n1)N[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C12CCC2 ZINC001571178260 952837867 /nfs/dbraw/zinc/83/78/67/952837867.db2.gz DBIGLGVEPWDDPA-ZJUUUORDSA-N -1 3 381.404 -0.143 20 0 GBADHM O=C(Cc1nc[nH]n1)N[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C12CCC2 ZINC001571178260 952837860 /nfs/dbraw/zinc/83/78/60/952837860.db2.gz DBIGLGVEPWDDPA-ZJUUUORDSA-N -1 3 381.404 -0.143 20 0 GBADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCN(C(=O)c2cnn3c2CCC3)CC1 ZINC001571178282 952837007 /nfs/dbraw/zinc/83/70/07/952837007.db2.gz FDJQGZOTYAYHPM-UHFFFAOYSA-N -1 3 381.400 -0.064 20 0 GBADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCN(C(=O)c2cnn3c2CCC3)CC1 ZINC001571178282 952837001 /nfs/dbraw/zinc/83/70/01/952837001.db2.gz FDJQGZOTYAYHPM-UHFFFAOYSA-N -1 3 381.400 -0.064 20 0 GBADHM Cc1n[nH]nc1C(=O)N1C[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571178306 952838992 /nfs/dbraw/zinc/83/89/92/952838992.db2.gz FQSWYUZWQKWUJD-MNOVXSKESA-N -1 3 381.404 -0.318 20 0 GBADHM Cn1nnc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nn[n-]n4)nc2)C3)n1 ZINC001571178309 952838319 /nfs/dbraw/zinc/83/83/19/952838319.db2.gz FTDQJGDDSUSIPV-QFYYESIMSA-N -1 3 381.404 -0.426 20 0 GBADHM Cn1nnc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nnn[n-]4)nc2)C3)n1 ZINC001571178309 952838315 /nfs/dbraw/zinc/83/83/15/952838315.db2.gz FTDQJGDDSUSIPV-QFYYESIMSA-N -1 3 381.404 -0.426 20 0 GBADHM Cc1n[nH]nc1C(=O)N1C[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001571178310 952838930 /nfs/dbraw/zinc/83/89/30/952838930.db2.gz FTXOHIUCOYKYLS-HWPZZCPQSA-N -1 3 381.404 -0.318 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571178316 952839686 /nfs/dbraw/zinc/83/96/86/952839686.db2.gz FXWBCOXHWAHGQP-CMPLNLGQSA-N -1 3 381.404 -0.176 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CC[C@H]2[C@@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571178317 952839412 /nfs/dbraw/zinc/83/94/12/952839412.db2.gz FXWBCOXHWAHGQP-JQWIXIFHSA-N -1 3 381.404 -0.176 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CC[C@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571178318 952839282 /nfs/dbraw/zinc/83/92/82/952839282.db2.gz FXWBCOXHWAHGQP-PWSUYJOCSA-N -1 3 381.404 -0.176 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CC[C@@H]2[C@H](CCN2c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571178319 952839347 /nfs/dbraw/zinc/83/93/47/952839347.db2.gz FXWBCOXHWAHGQP-ZYHUDNBSSA-N -1 3 381.404 -0.176 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571178325 952839472 /nfs/dbraw/zinc/83/94/72/952839472.db2.gz GAMNDBSXHYKDIX-NEPJUHHUSA-N -1 3 381.404 -0.033 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571178326 952838423 /nfs/dbraw/zinc/83/84/23/952838423.db2.gz GAMNDBSXHYKDIX-NWDGAFQWSA-N -1 3 381.404 -0.033 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571178327 952838706 /nfs/dbraw/zinc/83/87/06/952838706.db2.gz GAMNDBSXHYKDIX-RYUDHWBXSA-N -1 3 381.404 -0.033 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cncc(-c2nnn[n-]2)n1 ZINC001571178328 952839238 /nfs/dbraw/zinc/83/92/38/952839238.db2.gz GAMNDBSXHYKDIX-VXGBXAGGSA-N -1 3 381.404 -0.033 20 0 GBADHM COC(=O)C1(O)CCN(S(=O)(=O)c2ccc(C)cc2-c2nn[n-]n2)CC1 ZINC001571178332 952838680 /nfs/dbraw/zinc/83/86/80/952838680.db2.gz GCXLVVJLSIDFHT-UHFFFAOYSA-N -1 3 381.414 -0.136 20 0 GBADHM COC(=O)C1(O)CCN(S(=O)(=O)c2ccc(C)cc2-c2nnn[n-]2)CC1 ZINC001571178332 952838672 /nfs/dbraw/zinc/83/86/72/952838672.db2.gz GCXLVVJLSIDFHT-UHFFFAOYSA-N -1 3 381.414 -0.136 20 0 GBADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CCN(C(=O)c4cn[nH]n4)C3)C2)n1 ZINC001571178350 952839318 /nfs/dbraw/zinc/83/93/18/952839318.db2.gz GLWVTDBFVRZCNE-INIZCTEOSA-N -1 3 381.404 -0.174 20 0 GBADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CCN(C(=O)c4cn[nH]n4)C3)C2)n1 ZINC001571178351 952839603 /nfs/dbraw/zinc/83/96/03/952839603.db2.gz GLWVTDBFVRZCNE-MRXNPFEDSA-N -1 3 381.404 -0.174 20 0 GBADHM O=C(Cc1ncc[nH]1)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571178367 952838895 /nfs/dbraw/zinc/83/88/95/952838895.db2.gz GRFGPPLTRLMVIW-GXFFZTMASA-N -1 3 381.400 -0.167 20 0 GBADHM O=C(Cc1ncc[nH]1)N1CC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571178367 952838889 /nfs/dbraw/zinc/83/88/89/952838889.db2.gz GRFGPPLTRLMVIW-GXFFZTMASA-N -1 3 381.400 -0.167 20 0 GBADHM O=C(Cn1cnnn1)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571178374 952840828 /nfs/dbraw/zinc/84/08/28/952840828.db2.gz GZTLWWYIEHOKLM-YOGCLGLASA-N -1 3 381.404 -0.436 20 0 GBADHM O=C(Cn1cnnn1)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571178374 952840821 /nfs/dbraw/zinc/84/08/21/952840821.db2.gz GZTLWWYIEHOKLM-YOGCLGLASA-N -1 3 381.404 -0.436 20 0 GBADHM Cc1n[nH]nc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nnn[n-]1 ZINC001571178386 952839968 /nfs/dbraw/zinc/83/99/68/952839968.db2.gz HKSXWQQMLQCNIQ-PHIMTYICSA-N -1 3 381.404 -0.033 20 0 GBADHM O=C(Cc1nnc[nH]1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178387 952840438 /nfs/dbraw/zinc/84/04/38/952840438.db2.gz HKTVLGIFVWRMSP-CMPLNLGQSA-N -1 3 381.404 -0.555 20 0 GBADHM O=C(Cc1nnc[nH]1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178388 952841090 /nfs/dbraw/zinc/84/10/90/952841090.db2.gz HKTVLGIFVWRMSP-JQWIXIFHSA-N -1 3 381.404 -0.555 20 0 GBADHM O=C(Cc1nnc[nH]1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178389 952840293 /nfs/dbraw/zinc/84/02/93/952840293.db2.gz HKTVLGIFVWRMSP-PWSUYJOCSA-N -1 3 381.404 -0.555 20 0 GBADHM O=C(Cc1nnc[nH]1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178390 952841078 /nfs/dbraw/zinc/84/10/78/952841078.db2.gz HKTVLGIFVWRMSP-ZYHUDNBSSA-N -1 3 381.404 -0.555 20 0 GBADHM Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)[nH]1 ZINC001571178395 952840390 /nfs/dbraw/zinc/84/03/90/952840390.db2.gz HNRNWOAQPUHZKO-SCVCMEIPSA-N -1 3 381.404 -0.448 20 0 GBADHM Cc1nnc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nnn[n-]3)n2)[nH]1 ZINC001571178395 952840386 /nfs/dbraw/zinc/84/03/86/952840386.db2.gz HNRNWOAQPUHZKO-SCVCMEIPSA-N -1 3 381.404 -0.448 20 0 GBADHM O=C(CCc1nnc[nH]1)N1CC[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571178438 952841177 /nfs/dbraw/zinc/84/11/77/952841177.db2.gz IYGQHMNWTUYWGL-WDEREUQCSA-N -1 3 381.404 -0.555 20 0 GBADHM O=C(CCc1nnc[nH]1)N1CC[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001571178438 952841173 /nfs/dbraw/zinc/84/11/73/952841173.db2.gz IYGQHMNWTUYWGL-WDEREUQCSA-N -1 3 381.404 -0.555 20 0 GBADHM O=C(Cn1cnnn1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nn[n-]n1)C2 ZINC001571178524 952842498 /nfs/dbraw/zinc/84/24/98/952842498.db2.gz LWQIINYCQSDOPU-SRVKXCTJSA-N -1 3 381.404 -0.578 20 0 GBADHM O=C(Cn1cnnn1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nnn[n-]1)C2 ZINC001571178524 952842493 /nfs/dbraw/zinc/84/24/93/952842493.db2.gz LWQIINYCQSDOPU-SRVKXCTJSA-N -1 3 381.404 -0.578 20 0 GBADHM O=C(Cn1cnnn1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nn[n-]n1)C2 ZINC001571178525 952842575 /nfs/dbraw/zinc/84/25/75/952842575.db2.gz LWQIINYCQSDOPU-TUAOUCFPSA-N -1 3 381.404 -0.578 20 0 GBADHM O=C(Cn1cnnn1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ncccc1-c1nnn[n-]1)C2 ZINC001571178525 952842570 /nfs/dbraw/zinc/84/25/70/952842570.db2.gz LWQIINYCQSDOPU-TUAOUCFPSA-N -1 3 381.404 -0.578 20 0 GBADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@]3(CCN(C(=O)c4nc[nH]n4)C3)C2)n1 ZINC001571178538 952843658 /nfs/dbraw/zinc/84/36/58/952843658.db2.gz MLZIRYHHOFNABS-INIZCTEOSA-N -1 3 381.404 -0.174 20 0 GBADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@]3(CCN(C(=O)c4nc[nH]n4)C3)C2)n1 ZINC001571178539 952843145 /nfs/dbraw/zinc/84/31/45/952843145.db2.gz MLZIRYHHOFNABS-MRXNPFEDSA-N -1 3 381.404 -0.174 20 0 GBADHM Cn1nnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)cn2)n1 ZINC001571178541 952843644 /nfs/dbraw/zinc/84/36/44/952843644.db2.gz MPMLMXVYZLRTFP-YOGCLGLASA-N -1 3 381.404 -0.285 20 0 GBADHM Cn1nnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)cn2)n1 ZINC001571178541 952843642 /nfs/dbraw/zinc/84/36/42/952843642.db2.gz MPMLMXVYZLRTFP-YOGCLGLASA-N -1 3 381.404 -0.285 20 0 GBADHM Cc1nn[nH]c1C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nnn[n-]3)nn1)C2 ZINC001571178546 952843309 /nfs/dbraw/zinc/84/33/09/952843309.db2.gz MRCOPYPKMRMBJW-QFYYESIMSA-N -1 3 381.404 -0.128 20 0 GBADHM O=C(Cn1cnnn1)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571178547 952843609 /nfs/dbraw/zinc/84/36/09/952843609.db2.gz MRGYEJAHYQPUCE-CHWSQXEVSA-N -1 3 381.404 -0.482 20 0 GBADHM O=C(Cn1cnnn1)N1CCC[C@@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571178547 952843606 /nfs/dbraw/zinc/84/36/06/952843606.db2.gz MRGYEJAHYQPUCE-CHWSQXEVSA-N -1 3 381.404 -0.482 20 0 GBADHM O=C(Cn1cnnn1)N1CCC[C@@H]2[C@@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571178548 952843083 /nfs/dbraw/zinc/84/30/83/952843083.db2.gz MRGYEJAHYQPUCE-OLZOCXBDSA-N -1 3 381.404 -0.482 20 0 GBADHM O=C(Cn1cnnn1)N1CCC[C@@H]2[C@@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571178548 952843079 /nfs/dbraw/zinc/84/30/79/952843079.db2.gz MRGYEJAHYQPUCE-OLZOCXBDSA-N -1 3 381.404 -0.482 20 0 GBADHM O=C(Cn1cnnn1)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571178549 952843967 /nfs/dbraw/zinc/84/39/67/952843967.db2.gz MRGYEJAHYQPUCE-QWHCGFSZSA-N -1 3 381.404 -0.482 20 0 GBADHM O=C(Cn1cnnn1)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571178549 952843959 /nfs/dbraw/zinc/84/39/59/952843959.db2.gz MRGYEJAHYQPUCE-QWHCGFSZSA-N -1 3 381.404 -0.482 20 0 GBADHM O=C(Cn1cnnn1)N1CCC[C@H]2[C@@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001571178550 952843407 /nfs/dbraw/zinc/84/34/07/952843407.db2.gz MRGYEJAHYQPUCE-STQMWFEESA-N -1 3 381.404 -0.482 20 0 GBADHM O=C(Cn1cnnn1)N1CCC[C@H]2[C@@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001571178550 952843400 /nfs/dbraw/zinc/84/34/00/952843400.db2.gz MRGYEJAHYQPUCE-STQMWFEESA-N -1 3 381.404 -0.482 20 0 GBADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)c2cn[nH]n2)n1 ZINC001571178602 952843430 /nfs/dbraw/zinc/84/34/30/952843430.db2.gz OPAYVJBFWRZQGS-MNOVXSKESA-N -1 3 381.404 -0.033 20 0 GBADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCS(=O)(=O)C[C@H]1CCO ZINC001571178608 952843011 /nfs/dbraw/zinc/84/30/11/952843011.db2.gz OTPNPWKPGDAAFZ-LLVKDONJSA-N -1 3 381.414 -0.747 20 0 GBADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCS(=O)(=O)C[C@H]1CCO ZINC001571178608 952843004 /nfs/dbraw/zinc/84/30/04/952843004.db2.gz OTPNPWKPGDAAFZ-LLVKDONJSA-N -1 3 381.414 -0.747 20 0 GBADHM O=C(COc1ccccc1-c1nn[n-]n1)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001571178609 952844223 /nfs/dbraw/zinc/84/42/23/952844223.db2.gz OTPNPWKPGDAAFZ-NSHDSACASA-N -1 3 381.414 -0.747 20 0 GBADHM O=C(COc1ccccc1-c1nnn[n-]1)N1CCS(=O)(=O)C[C@@H]1CCO ZINC001571178609 952844216 /nfs/dbraw/zinc/84/42/16/952844216.db2.gz OTPNPWKPGDAAFZ-NSHDSACASA-N -1 3 381.414 -0.747 20 0 GBADHM O=C(Cn1ncnn1)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001571178617 952845423 /nfs/dbraw/zinc/84/54/23/952845423.db2.gz OXOLBVJUXHHCLS-NEPJUHHUSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1ncnn1)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001571178617 952845417 /nfs/dbraw/zinc/84/54/17/952845417.db2.gz OXOLBVJUXHHCLS-NEPJUHHUSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1ncnn1)N[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001571178618 952844403 /nfs/dbraw/zinc/84/44/03/952844403.db2.gz OXOLBVJUXHHCLS-NWDGAFQWSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1ncnn1)N[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001571178618 952844398 /nfs/dbraw/zinc/84/43/98/952844398.db2.gz OXOLBVJUXHHCLS-NWDGAFQWSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1ncnn1)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001571178619 952844704 /nfs/dbraw/zinc/84/47/04/952844704.db2.gz OXOLBVJUXHHCLS-RYUDHWBXSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1ncnn1)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001571178619 952844699 /nfs/dbraw/zinc/84/46/99/952844699.db2.gz OXOLBVJUXHHCLS-RYUDHWBXSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1ncnn1)N[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C12CCC2 ZINC001571178620 952844434 /nfs/dbraw/zinc/84/44/34/952844434.db2.gz OXOLBVJUXHHCLS-VXGBXAGGSA-N -1 3 381.404 -0.212 20 0 GBADHM O=C(Cn1ncnn1)N[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C12CCC2 ZINC001571178620 952844430 /nfs/dbraw/zinc/84/44/30/952844430.db2.gz OXOLBVJUXHHCLS-VXGBXAGGSA-N -1 3 381.404 -0.212 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2ncnn2)C3)n1 ZINC001571178645 952845381 /nfs/dbraw/zinc/84/53/81/952845381.db2.gz POXYJBMRSHOICG-WXHSDQCUSA-N -1 3 381.404 -0.517 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)Cn2ncnn2)C3)n1 ZINC001571178645 952845376 /nfs/dbraw/zinc/84/53/76/952845376.db2.gz POXYJBMRSHOICG-WXHSDQCUSA-N -1 3 381.404 -0.517 20 0 GBADHM Cn1nnc(C(=O)N[C@@H]2CC23CCN(c2ncccc2-c2nn[n-]n2)CC3)n1 ZINC001571178682 952845350 /nfs/dbraw/zinc/84/53/50/952845350.db2.gz QWGUTEUJOZTWPK-LLVKDONJSA-N -1 3 381.404 -0.426 20 0 GBADHM Cn1nnc(C(=O)N[C@@H]2CC23CCN(c2ncccc2-c2nnn[n-]2)CC3)n1 ZINC001571178682 952845345 /nfs/dbraw/zinc/84/53/45/952845345.db2.gz QWGUTEUJOZTWPK-LLVKDONJSA-N -1 3 381.404 -0.426 20 0 GBADHM Cn1nnc(C(=O)N[C@H]2CC23CCN(c2ncccc2-c2nn[n-]n2)CC3)n1 ZINC001571178683 952845332 /nfs/dbraw/zinc/84/53/32/952845332.db2.gz QWGUTEUJOZTWPK-NSHDSACASA-N -1 3 381.404 -0.426 20 0 GBADHM Cn1nnc(C(=O)N[C@H]2CC23CCN(c2ncccc2-c2nnn[n-]2)CC3)n1 ZINC001571178683 952845327 /nfs/dbraw/zinc/84/53/27/952845327.db2.gz QWGUTEUJOZTWPK-NSHDSACASA-N -1 3 381.404 -0.426 20 0 GBADHM Cn1nnc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nn[n-]n4)cn2)C3)n1 ZINC001571178684 952844565 /nfs/dbraw/zinc/84/45/65/952844565.db2.gz RAHNTDZDSMTVAV-ZBEGNZNMSA-N -1 3 381.404 -0.426 20 0 GBADHM Cn1nnc(C(=O)N[C@]23CCC[C@H]2CN(c2ccc(-c4nnn[n-]4)cn2)C3)n1 ZINC001571178684 952844559 /nfs/dbraw/zinc/84/45/59/952844559.db2.gz RAHNTDZDSMTVAV-ZBEGNZNMSA-N -1 3 381.404 -0.426 20 0 GBADHM C[C@]12CN(C(=O)Cc3nnc[nH]3)C[C@H]1CN(c1cncc(-c3nnn[n-]3)n1)C2 ZINC001571178719 952846304 /nfs/dbraw/zinc/84/63/04/952846304.db2.gz RVVCXIGFGMNTOM-HWPZZCPQSA-N -1 3 381.404 -0.698 20 0 GBADHM O=C(Cn1ccnc1)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571178747 952845832 /nfs/dbraw/zinc/84/58/32/952845832.db2.gz SKNIEJAJYYHSPC-BXUZGUMPSA-N -1 3 381.400 -0.236 20 0 GBADHM COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)C1 ZINC001571178764 952846581 /nfs/dbraw/zinc/84/65/81/952846581.db2.gz SVUXHBHDHVWPMP-GHMZBOCLSA-N -1 3 381.414 -0.280 20 0 GBADHM COC(=O)[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2c(C)cccc2-c2nnn[n-]2)C1 ZINC001571178764 952846575 /nfs/dbraw/zinc/84/65/75/952846575.db2.gz SVUXHBHDHVWPMP-GHMZBOCLSA-N -1 3 381.414 -0.280 20 0 GBADHM COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)C1 ZINC001571178765 952845774 /nfs/dbraw/zinc/84/57/74/952845774.db2.gz SVUXHBHDHVWPMP-MNOVXSKESA-N -1 3 381.414 -0.280 20 0 GBADHM COC(=O)[C@@H]1C[C@H](O)CN(S(=O)(=O)c2c(C)cccc2-c2nnn[n-]2)C1 ZINC001571178765 952845769 /nfs/dbraw/zinc/84/57/69/952845769.db2.gz SVUXHBHDHVWPMP-MNOVXSKESA-N -1 3 381.414 -0.280 20 0 GBADHM COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)C1 ZINC001571178766 952846633 /nfs/dbraw/zinc/84/66/33/952846633.db2.gz SVUXHBHDHVWPMP-QWRGUYRKSA-N -1 3 381.414 -0.280 20 0 GBADHM COC(=O)[C@H]1C[C@H](O)CN(S(=O)(=O)c2c(C)cccc2-c2nnn[n-]2)C1 ZINC001571178766 952846624 /nfs/dbraw/zinc/84/66/24/952846624.db2.gz SVUXHBHDHVWPMP-QWRGUYRKSA-N -1 3 381.414 -0.280 20 0 GBADHM COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)C1 ZINC001571178767 952845903 /nfs/dbraw/zinc/84/59/03/952845903.db2.gz SVUXHBHDHVWPMP-WDEREUQCSA-N -1 3 381.414 -0.280 20 0 GBADHM COC(=O)[C@H]1C[C@@H](O)CN(S(=O)(=O)c2c(C)cccc2-c2nnn[n-]2)C1 ZINC001571178767 952845898 /nfs/dbraw/zinc/84/58/98/952845898.db2.gz SVUXHBHDHVWPMP-WDEREUQCSA-N -1 3 381.414 -0.280 20 0 GBADHM O=C(Cn1ncnn1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571178781 952847183 /nfs/dbraw/zinc/84/71/83/952847183.db2.gz UFTKOAOOODLHGP-GVXVVHGQSA-N -1 3 381.404 -0.578 20 0 GBADHM O=C(Cn1ncnn1)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571178781 952847177 /nfs/dbraw/zinc/84/71/77/952847177.db2.gz UFTKOAOOODLHGP-GVXVVHGQSA-N -1 3 381.404 -0.578 20 0 GBADHM O=C(Cn1ncnn1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571178782 952847883 /nfs/dbraw/zinc/84/78/83/952847883.db2.gz UFTKOAOOODLHGP-LOWVWBTDSA-N -1 3 381.404 -0.578 20 0 GBADHM O=C(Cn1ncnn1)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571178782 952847878 /nfs/dbraw/zinc/84/78/78/952847878.db2.gz UFTKOAOOODLHGP-LOWVWBTDSA-N -1 3 381.404 -0.578 20 0 GBADHM O=C(c1cnc2n1CCOC2)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571178839 952848509 /nfs/dbraw/zinc/84/85/09/952848509.db2.gz WAVOGYFDGVMUBF-UHFFFAOYSA-N -1 3 381.400 -0.049 20 0 GBADHM O=C(c1cnc2n1CCOC2)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571178839 952848500 /nfs/dbraw/zinc/84/85/00/952848500.db2.gz WAVOGYFDGVMUBF-UHFFFAOYSA-N -1 3 381.400 -0.049 20 0 GBADHM O=C(Cn1ncnn1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571178883 952849852 /nfs/dbraw/zinc/84/98/52/952849852.db2.gz XBSFEWABXYRDPT-CHWSQXEVSA-N -1 3 381.404 -0.624 20 0 GBADHM O=C(Cn1ncnn1)N1CC[C@@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571178883 952849845 /nfs/dbraw/zinc/84/98/45/952849845.db2.gz XBSFEWABXYRDPT-CHWSQXEVSA-N -1 3 381.404 -0.624 20 0 GBADHM O=C(Cn1ncnn1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571178884 952849292 /nfs/dbraw/zinc/84/92/92/952849292.db2.gz XBSFEWABXYRDPT-OLZOCXBDSA-N -1 3 381.404 -0.624 20 0 GBADHM O=C(Cn1ncnn1)N1CC[C@H]2[C@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571178884 952849290 /nfs/dbraw/zinc/84/92/90/952849290.db2.gz XBSFEWABXYRDPT-OLZOCXBDSA-N -1 3 381.404 -0.624 20 0 GBADHM O=C(Cn1ncnn1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571178885 952849107 /nfs/dbraw/zinc/84/91/07/952849107.db2.gz XBSFEWABXYRDPT-QWHCGFSZSA-N -1 3 381.404 -0.624 20 0 GBADHM O=C(Cn1ncnn1)N1CC[C@@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571178885 952849098 /nfs/dbraw/zinc/84/90/98/952849098.db2.gz XBSFEWABXYRDPT-QWHCGFSZSA-N -1 3 381.404 -0.624 20 0 GBADHM O=C(Cn1ncnn1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571178886 952848775 /nfs/dbraw/zinc/84/87/75/952848775.db2.gz XBSFEWABXYRDPT-STQMWFEESA-N -1 3 381.404 -0.624 20 0 GBADHM O=C(Cn1ncnn1)N1CC[C@H]2[C@@H](CCN2c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571178886 952848773 /nfs/dbraw/zinc/84/87/73/952848773.db2.gz XBSFEWABXYRDPT-STQMWFEESA-N -1 3 381.404 -0.624 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CC[C@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571178892 952848788 /nfs/dbraw/zinc/84/87/88/952848788.db2.gz XEARFUUOKGMMRX-INIZCTEOSA-N -1 3 381.404 -0.174 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571178893 952849961 /nfs/dbraw/zinc/84/99/61/952849961.db2.gz XEARFUUOKGMMRX-MRXNPFEDSA-N -1 3 381.404 -0.174 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@@H]2C[C@H]1CN2Cc1nnnn1C1CC1 ZINC001571178894 952850092 /nfs/dbraw/zinc/85/00/92/952850092.db2.gz XEPQZSVUUDWOTH-RYUDHWBXSA-N -1 3 381.404 -0.385 20 0 GBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@@H]2C[C@H]1CN2Cc1nnnn1C1CC1 ZINC001571178894 952850083 /nfs/dbraw/zinc/85/00/83/952850083.db2.gz XEPQZSVUUDWOTH-RYUDHWBXSA-N -1 3 381.404 -0.385 20 0 GBADHM CO[C@]1(CNC(=O)COc2ccccc2-c2nn[n-]n2)CCS(=O)(=O)C1 ZINC001571178914 952849526 /nfs/dbraw/zinc/84/95/26/952849526.db2.gz XZPCRVVMYWASMY-HNNXBMFYSA-N -1 3 381.414 -0.435 20 0 GBADHM CO[C@]1(CNC(=O)COc2ccccc2-c2nnn[n-]2)CCS(=O)(=O)C1 ZINC001571178914 952849517 /nfs/dbraw/zinc/84/95/17/952849517.db2.gz XZPCRVVMYWASMY-HNNXBMFYSA-N -1 3 381.414 -0.435 20 0 GBADHM CO[C@@]1(CNC(=O)COc2ccccc2-c2nn[n-]n2)CCS(=O)(=O)C1 ZINC001571178915 952849690 /nfs/dbraw/zinc/84/96/90/952849690.db2.gz XZPCRVVMYWASMY-OAHLLOKOSA-N -1 3 381.414 -0.435 20 0 GBADHM CO[C@@]1(CNC(=O)COc2ccccc2-c2nnn[n-]2)CCS(=O)(=O)C1 ZINC001571178915 952849688 /nfs/dbraw/zinc/84/96/88/952849688.db2.gz XZPCRVVMYWASMY-OAHLLOKOSA-N -1 3 381.414 -0.435 20 0 GBADHM O=C(Cc1nnc[nH]1)N1CCC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571178927 952849982 /nfs/dbraw/zinc/84/99/82/952849982.db2.gz YKOOUMPEFHJICP-WDEREUQCSA-N -1 3 381.404 -0.555 20 0 GBADHM O=C(c1nc[nH]n1)N1CCOC2(CN(Cc3ccccc3-c3nn[n-]n3)C2)C1 ZINC001571178944 952850963 /nfs/dbraw/zinc/85/09/63/952850963.db2.gz YQYAMJACHJLYME-UHFFFAOYSA-N -1 3 381.400 -0.288 20 0 GBADHM O=C(Cc1nnc[nH]1)N1CC[C@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571178945 952851207 /nfs/dbraw/zinc/85/12/07/952851207.db2.gz YRWSBVHWVYFDTC-INIZCTEOSA-N -1 3 381.404 -0.554 20 0 GBADHM O=C(Cc1nnc[nH]1)N1CC[C@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571178945 952851201 /nfs/dbraw/zinc/85/12/01/952851201.db2.gz YRWSBVHWVYFDTC-INIZCTEOSA-N -1 3 381.404 -0.554 20 0 GBADHM O=C(Cc1nnc[nH]1)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571178946 952850457 /nfs/dbraw/zinc/85/04/57/952850457.db2.gz YRWSBVHWVYFDTC-MRXNPFEDSA-N -1 3 381.404 -0.554 20 0 GBADHM O=C(Cc1nnc[nH]1)N1CC[C@@]2(CCN(c3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571178946 952850451 /nfs/dbraw/zinc/85/04/51/952850451.db2.gz YRWSBVHWVYFDTC-MRXNPFEDSA-N -1 3 381.404 -0.554 20 0 GBADHM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@H]1CCCc2nn[nH]c21 ZINC001571178968 952850254 /nfs/dbraw/zinc/85/02/54/952850254.db2.gz ZPTOCLYDNAZPBL-UWVGGRQHSA-N -1 3 381.404 -0.410 20 0 GBADHM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@H]1CCCc2nn[nH]c21 ZINC001571178968 952850249 /nfs/dbraw/zinc/85/02/49/952850249.db2.gz ZPTOCLYDNAZPBL-UWVGGRQHSA-N -1 3 381.404 -0.410 20 0 GBADHM O=C(N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[C@@H]1CCCc2nn[nH]c21 ZINC001571178969 952850954 /nfs/dbraw/zinc/85/09/54/952850954.db2.gz ZPTOCLYDNAZPBL-VHSXEESVSA-N -1 3 381.404 -0.410 20 0 GBADHM O=C(N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[C@@H]1CCCc2nn[nH]c21 ZINC001571178969 952850949 /nfs/dbraw/zinc/85/09/49/952850949.db2.gz ZPTOCLYDNAZPBL-VHSXEESVSA-N -1 3 381.404 -0.410 20 0 GBADHM O=C(Cc1cc[nH]n1)N1[C@@H]2CC[C@H]1CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571178979 952851052 /nfs/dbraw/zinc/85/10/52/952851052.db2.gz ZVFRVDJNGSAEJT-BETUJISGSA-N -1 3 381.400 -0.024 20 0 GBADHM COc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1-c1nn[n-]n1 ZINC001571182934 952871243 /nfs/dbraw/zinc/87/12/43/952871243.db2.gz KBPSIDRRDGXKQM-UHFFFAOYSA-N -1 3 381.418 -0.271 20 0 GBADHM COc1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)cc1-c1nnn[n-]1 ZINC001571182934 952871238 /nfs/dbraw/zinc/87/12/38/952871238.db2.gz KBPSIDRRDGXKQM-UHFFFAOYSA-N -1 3 381.418 -0.271 20 0 GBADHM CNS(=O)(=O)NC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571182958 952870719 /nfs/dbraw/zinc/87/07/19/952870719.db2.gz KPHSOVUSWNKYDT-UHFFFAOYSA-N -1 3 381.422 -0.688 20 0 GBADHM CNS(=O)(=O)NC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571182958 952870715 /nfs/dbraw/zinc/87/07/15/952870715.db2.gz KPHSOVUSWNKYDT-UHFFFAOYSA-N -1 3 381.422 -0.688 20 0 GBADHM CS(=O)(=O)CCN1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571188655 952918077 /nfs/dbraw/zinc/91/80/77/952918077.db2.gz FTNHOYLDCMTMFV-UHFFFAOYSA-N -1 3 381.462 -0.319 20 0 GBADHM CS(=O)(=O)CCN1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571188655 952918073 /nfs/dbraw/zinc/91/80/73/952918073.db2.gz FTNHOYLDCMTMFV-UHFFFAOYSA-N -1 3 381.462 -0.319 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CCS(C)(=O)=O ZINC001571189200 952926917 /nfs/dbraw/zinc/92/69/17/952926917.db2.gz OOBVKFSTIZRPEW-CMPLNLGQSA-N -1 3 381.462 -0.178 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1CCS(C)(=O)=O ZINC001571189200 952926912 /nfs/dbraw/zinc/92/69/12/952926912.db2.gz OOBVKFSTIZRPEW-CMPLNLGQSA-N -1 3 381.462 -0.178 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CCS(C)(=O)=O ZINC001571189201 952927026 /nfs/dbraw/zinc/92/70/26/952927026.db2.gz OOBVKFSTIZRPEW-JQWIXIFHSA-N -1 3 381.462 -0.178 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1CCS(C)(=O)=O ZINC001571189201 952927015 /nfs/dbraw/zinc/92/70/15/952927015.db2.gz OOBVKFSTIZRPEW-JQWIXIFHSA-N -1 3 381.462 -0.178 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CCS(C)(=O)=O ZINC001571189202 952926739 /nfs/dbraw/zinc/92/67/39/952926739.db2.gz OOBVKFSTIZRPEW-PWSUYJOCSA-N -1 3 381.462 -0.178 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1CCS(C)(=O)=O ZINC001571189202 952926736 /nfs/dbraw/zinc/92/67/36/952926736.db2.gz OOBVKFSTIZRPEW-PWSUYJOCSA-N -1 3 381.462 -0.178 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCN1CCS(C)(=O)=O ZINC001571189203 952926762 /nfs/dbraw/zinc/92/67/62/952926762.db2.gz OOBVKFSTIZRPEW-ZYHUDNBSSA-N -1 3 381.462 -0.178 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCN1CCS(C)(=O)=O ZINC001571189203 952926760 /nfs/dbraw/zinc/92/67/60/952926760.db2.gz OOBVKFSTIZRPEW-ZYHUDNBSSA-N -1 3 381.462 -0.178 20 0 GBADHM CS(=O)(=O)CCN1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571189827 952935994 /nfs/dbraw/zinc/93/59/94/952935994.db2.gz WFSOZJYVVXMADZ-LLVKDONJSA-N -1 3 381.462 -0.176 20 0 GBADHM CS(=O)(=O)CCN1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571189828 952936584 /nfs/dbraw/zinc/93/65/84/952936584.db2.gz WFSOZJYVVXMADZ-NSHDSACASA-N -1 3 381.462 -0.176 20 0 GBADHM C[C@@H]1CN(CCO)CCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571189833 952936105 /nfs/dbraw/zinc/93/61/05/952936105.db2.gz WJXQRPDNDJXQBR-GFCCVEGCSA-N -1 3 381.462 -0.966 20 0 GBADHM C[C@@H]1CN(CCO)CCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571189833 952936102 /nfs/dbraw/zinc/93/61/02/952936102.db2.gz WJXQRPDNDJXQBR-GFCCVEGCSA-N -1 3 381.462 -0.966 20 0 GBADHM C[C@H]1CN(CCO)CCN1CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571189834 952936397 /nfs/dbraw/zinc/93/63/97/952936397.db2.gz WJXQRPDNDJXQBR-LBPRGKRZSA-N -1 3 381.462 -0.966 20 0 GBADHM C[C@H]1CN(CCO)CCN1CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571189834 952936393 /nfs/dbraw/zinc/93/63/93/952936393.db2.gz WJXQRPDNDJXQBR-LBPRGKRZSA-N -1 3 381.462 -0.966 20 0 GBADHM Cn1cnc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)cc1=O ZINC001571193757 952952385 /nfs/dbraw/zinc/95/23/85/952952385.db2.gz BLEXWOYZSLQKPQ-UHFFFAOYSA-N -1 3 382.388 -0.291 20 0 GBADHM Cn1cnc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)cc1=O ZINC001571193757 952952384 /nfs/dbraw/zinc/95/23/84/952952384.db2.gz BLEXWOYZSLQKPQ-UHFFFAOYSA-N -1 3 382.388 -0.291 20 0 GBADHM Cn1nncc1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571193776 952951795 /nfs/dbraw/zinc/95/17/95/952951795.db2.gz CDKWNKXALQXVGT-NOZJJQNGSA-N -1 3 382.388 -0.690 20 0 GBADHM Cn1nncc1C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571193776 952951791 /nfs/dbraw/zinc/95/17/91/952951791.db2.gz CDKWNKXALQXVGT-NOZJJQNGSA-N -1 3 382.388 -0.690 20 0 GBADHM Cc1nn[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571193792 952953231 /nfs/dbraw/zinc/95/32/31/952953231.db2.gz CJZZZGPEOHXVLI-SCVCMEIPSA-N -1 3 382.388 -0.203 20 0 GBADHM Cn1ccc(=O)c(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571193882 952954286 /nfs/dbraw/zinc/95/42/86/952954286.db2.gz AGTZYYOZJFJSMY-NSHDSACASA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1ccc(=O)c(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571193882 952954282 /nfs/dbraw/zinc/95/42/82/952954282.db2.gz AGTZYYOZJFJSMY-NSHDSACASA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571193926 952955089 /nfs/dbraw/zinc/95/50/89/952955089.db2.gz GTAQYLOULLTABF-NRUUGDAUSA-N -1 3 382.388 -0.501 20 0 GBADHM Cn1ncc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571193926 952955087 /nfs/dbraw/zinc/95/50/87/952955087.db2.gz GTAQYLOULLTABF-NRUUGDAUSA-N -1 3 382.388 -0.501 20 0 GBADHM COc1ccc(CN2CC(NC(=O)c3c[nH]c(=O)cn3)C2)cc1-c1nn[n-]n1 ZINC001571193941 952956142 /nfs/dbraw/zinc/95/61/42/952956142.db2.gz BHKJRWRTRBSESH-UHFFFAOYSA-N -1 3 382.384 -0.427 20 0 GBADHM COc1ccc(CN2CC(NC(=O)c3c[nH]c(=O)cn3)C2)cc1-c1nnn[n-]1 ZINC001571193941 952956138 /nfs/dbraw/zinc/95/61/38/952956138.db2.gz BHKJRWRTRBSESH-UHFFFAOYSA-N -1 3 382.384 -0.427 20 0 GBADHM Cn1cnnc1[C@@H](CO)[N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571193982 952956087 /nfs/dbraw/zinc/95/60/87/952956087.db2.gz CWLMDFCTDGDYOY-LLVKDONJSA-N -1 3 382.381 -0.713 20 0 GBADHM Cn1cnnc1[C@H](CO)[N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571193983 952955342 /nfs/dbraw/zinc/95/53/42/952955342.db2.gz CWLMDFCTDGDYOY-NSHDSACASA-N -1 3 382.381 -0.713 20 0 GBADHM O=C(Cc1ccc(=O)[nH]c1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571193985 952956059 /nfs/dbraw/zinc/95/60/59/952956059.db2.gz CZUHJNMHVXGIFC-LLVKDONJSA-N -1 3 382.384 -0.131 20 0 GBADHM O=C(Cc1ccc(=O)[nH]c1)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571193985 952956051 /nfs/dbraw/zinc/95/60/51/952956051.db2.gz CZUHJNMHVXGIFC-LLVKDONJSA-N -1 3 382.384 -0.131 20 0 GBADHM O=C(Cc1ccc(=O)[nH]c1)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571193986 952955631 /nfs/dbraw/zinc/95/56/31/952955631.db2.gz CZUHJNMHVXGIFC-NSHDSACASA-N -1 3 382.384 -0.131 20 0 GBADHM O=C(Cc1ccc(=O)[nH]c1)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571193986 952955626 /nfs/dbraw/zinc/95/56/26/952955626.db2.gz CZUHJNMHVXGIFC-NSHDSACASA-N -1 3 382.384 -0.131 20 0 GBADHM Cn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571194060 952957095 /nfs/dbraw/zinc/95/70/95/952957095.db2.gz IDGRIVGUYWGSKC-FOGDFJRCSA-N -1 3 382.388 -0.501 20 0 GBADHM Cn1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571194060 952957093 /nfs/dbraw/zinc/95/70/93/952957093.db2.gz IDGRIVGUYWGSKC-FOGDFJRCSA-N -1 3 382.388 -0.501 20 0 GBADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@@H]2CN(C(=O)c3nc[nH]n3)CC[C@@H]2C1 ZINC001571194064 952956958 /nfs/dbraw/zinc/95/69/58/952956958.db2.gz IICWDLWAQOOCPH-ZJUUUORDSA-N -1 3 382.388 -0.453 20 0 GBADHM COC(=O)[C@@H](Cn1cncn1)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571194098 952958475 /nfs/dbraw/zinc/95/84/75/952958475.db2.gz GEAJGKMZJZEBGB-CYBMUJFWSA-N -1 3 382.384 -0.152 20 0 GBADHM COC(=O)[C@@H](Cn1cncn1)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571194098 952958470 /nfs/dbraw/zinc/95/84/70/952958470.db2.gz GEAJGKMZJZEBGB-CYBMUJFWSA-N -1 3 382.384 -0.152 20 0 GBADHM COC(=O)[C@H](Cn1cncn1)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571194100 952958389 /nfs/dbraw/zinc/95/83/89/952958389.db2.gz GEAJGKMZJZEBGB-ZDUSSCGKSA-N -1 3 382.384 -0.152 20 0 GBADHM COC(=O)[C@H](Cn1cncn1)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571194100 952958388 /nfs/dbraw/zinc/95/83/88/952958388.db2.gz GEAJGKMZJZEBGB-ZDUSSCGKSA-N -1 3 382.384 -0.152 20 0 GBADHM Cn1cnc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)n1 ZINC001571194107 952958419 /nfs/dbraw/zinc/95/84/19/952958419.db2.gz IQDRIKLOZXAOBZ-RTCCRHLQSA-N -1 3 382.388 -0.929 20 0 GBADHM Cn1cnc(C(=O)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)n1 ZINC001571194107 952958416 /nfs/dbraw/zinc/95/84/16/952958416.db2.gz IQDRIKLOZXAOBZ-RTCCRHLQSA-N -1 3 382.388 -0.929 20 0 GBADHM COc1c[nH]c(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1=O ZINC001571194123 952957737 /nfs/dbraw/zinc/95/77/37/952957737.db2.gz GRDMPURBAHTTSB-UHFFFAOYSA-N -1 3 382.384 -0.079 20 0 GBADHM COc1c[nH]c(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1=O ZINC001571194123 952957731 /nfs/dbraw/zinc/95/77/31/952957731.db2.gz GRDMPURBAHTTSB-UHFFFAOYSA-N -1 3 382.384 -0.079 20 0 GBADHM Cc1cnccc1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001571194149 952958406 /nfs/dbraw/zinc/95/84/06/952958406.db2.gz HIWHYIFZICKHOF-KGLIPLIRSA-N -1 3 382.384 -0.486 20 0 GBADHM Cc1cnccc1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001571194149 952958404 /nfs/dbraw/zinc/95/84/04/952958404.db2.gz HIWHYIFZICKHOF-KGLIPLIRSA-N -1 3 382.384 -0.486 20 0 GBADHM O=C(Cn1ccccc1=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571194189 952959218 /nfs/dbraw/zinc/95/92/18/952959218.db2.gz ICWBSPYHKXWIEK-NSHDSACASA-N -1 3 382.384 -0.613 20 0 GBADHM O=C(Cn1ccccc1=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571194189 952959213 /nfs/dbraw/zinc/95/92/13/952959213.db2.gz ICWBSPYHKXWIEK-NSHDSACASA-N -1 3 382.384 -0.613 20 0 GBADHM O=C(Cc1cccnc1)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001571194201 952959279 /nfs/dbraw/zinc/95/92/79/952959279.db2.gz ISIVWZMQNSFTHT-KGLIPLIRSA-N -1 3 382.384 -0.866 20 0 GBADHM O=C(Cc1cccnc1)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001571194201 952959275 /nfs/dbraw/zinc/95/92/75/952959275.db2.gz ISIVWZMQNSFTHT-KGLIPLIRSA-N -1 3 382.384 -0.866 20 0 GBADHM Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)ccc1=O ZINC001571194205 952959841 /nfs/dbraw/zinc/95/98/41/952959841.db2.gz IWMXVBLCADELHS-LLVKDONJSA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1cc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)ccc1=O ZINC001571194205 952959834 /nfs/dbraw/zinc/95/98/34/952959834.db2.gz IWMXVBLCADELHS-LLVKDONJSA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)ccc1=O ZINC001571194206 952959797 /nfs/dbraw/zinc/95/97/97/952959797.db2.gz IWMXVBLCADELHS-NSHDSACASA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)ccc1=O ZINC001571194206 952959789 /nfs/dbraw/zinc/95/97/89/952959789.db2.gz IWMXVBLCADELHS-NSHDSACASA-N -1 3 382.384 -0.462 20 0 GBADHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1nnc2n1CCNC2=O ZINC001571194216 952959681 /nfs/dbraw/zinc/95/96/81/952959681.db2.gz JSVMQDXGHORCOZ-UHFFFAOYSA-N -1 3 382.388 -0.457 20 0 GBADHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NCc1nnc2n1CCNC2=O ZINC001571194216 952959673 /nfs/dbraw/zinc/95/96/73/952959673.db2.gz JSVMQDXGHORCOZ-UHFFFAOYSA-N -1 3 382.388 -0.457 20 0 GBADHM CCn1ncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571194225 952959457 /nfs/dbraw/zinc/95/94/57/952959457.db2.gz JYASAAYNSWAJNH-IWIIMEHWSA-N -1 3 382.388 -0.693 20 0 GBADHM CCn1ncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571194225 952959454 /nfs/dbraw/zinc/95/94/54/952959454.db2.gz JYASAAYNSWAJNH-IWIIMEHWSA-N -1 3 382.388 -0.693 20 0 GBADHM Cn1ncc(C(=O)N2CCC3(CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C3)C2)n1 ZINC001571194230 952959865 /nfs/dbraw/zinc/95/98/65/952959865.db2.gz JZYITAOSKJMBAW-UHFFFAOYSA-N -1 3 382.388 -0.688 20 0 GBADHM Cn1ncc(C(=O)N2CCC3(CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C3)C2)n1 ZINC001571194230 952959862 /nfs/dbraw/zinc/95/98/62/952959862.db2.gz JZYITAOSKJMBAW-UHFFFAOYSA-N -1 3 382.388 -0.688 20 0 GBADHM Cn1cccc(C(=O)N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)c1=O ZINC001571194231 952959581 /nfs/dbraw/zinc/95/95/81/952959581.db2.gz JFBXAOHKNULBKO-UHFFFAOYSA-N -1 3 382.384 -0.508 20 0 GBADHM Cn1cccc(C(=O)N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)c1=O ZINC001571194231 952959575 /nfs/dbraw/zinc/95/95/75/952959575.db2.gz JFBXAOHKNULBKO-UHFFFAOYSA-N -1 3 382.384 -0.508 20 0 GBADHM CN(C)c1cc(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)cc(-c2nn[n-]n2)c1 ZINC001571194236 952959961 /nfs/dbraw/zinc/95/99/61/952959961.db2.gz JIZBVNASYSGYLZ-UHFFFAOYSA-N -1 3 382.384 -0.168 20 0 GBADHM CN(C)c1cc(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)cc(-c2nnn[n-]2)c1 ZINC001571194236 952959959 /nfs/dbraw/zinc/95/99/59/952959959.db2.gz JIZBVNASYSGYLZ-UHFFFAOYSA-N -1 3 382.384 -0.168 20 0 GBADHM O=C(NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)c1cc[nH]c(=O)c1 ZINC001571194262 952960775 /nfs/dbraw/zinc/96/07/75/952960775.db2.gz JNIBOHYLKLEELS-CYBMUJFWSA-N -1 3 382.384 -0.003 20 0 GBADHM O=C(NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)c1cc[nH]c(=O)c1 ZINC001571194262 952960772 /nfs/dbraw/zinc/96/07/72/952960772.db2.gz JNIBOHYLKLEELS-CYBMUJFWSA-N -1 3 382.384 -0.003 20 0 GBADHM O=C(NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)c1cc[nH]c(=O)c1 ZINC001571194263 952960497 /nfs/dbraw/zinc/96/04/97/952960497.db2.gz JNIBOHYLKLEELS-ZDUSSCGKSA-N -1 3 382.384 -0.003 20 0 GBADHM O=C(NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)c1cc[nH]c(=O)c1 ZINC001571194263 952960494 /nfs/dbraw/zinc/96/04/94/952960494.db2.gz JNIBOHYLKLEELS-ZDUSSCGKSA-N -1 3 382.384 -0.003 20 0 GBADHM Cc1cc(=O)c(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c[nH]1 ZINC001571194274 952961264 /nfs/dbraw/zinc/96/12/64/952961264.db2.gz JNTNQNVTEIDDLH-NSHDSACASA-N -1 3 382.384 -0.164 20 0 GBADHM Cc1cc(=O)c(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c[nH]1 ZINC001571194274 952961261 /nfs/dbraw/zinc/96/12/61/952961261.db2.gz JNTNQNVTEIDDLH-NSHDSACASA-N -1 3 382.384 -0.164 20 0 GBADHM C[C@]12CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]1CN(C(=O)c1nc[nH]n1)C2 ZINC001571194291 952961190 /nfs/dbraw/zinc/96/11/90/952961190.db2.gz LLEJGAHOYNYEAD-MGPLVRAMSA-N -1 3 382.388 -0.453 20 0 GBADHM Cn1cnc(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)n1 ZINC001571194315 952960836 /nfs/dbraw/zinc/96/08/36/952960836.db2.gz LUGWJJSXFAFSSF-BXKDBHETSA-N -1 3 382.388 -0.690 20 0 GBADHM Cn1cnc(C(=O)N2CC[C@@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)n1 ZINC001571194315 952960832 /nfs/dbraw/zinc/96/08/32/952960832.db2.gz LUGWJJSXFAFSSF-BXKDBHETSA-N -1 3 382.388 -0.690 20 0 GBADHM C[C@H](C(=O)Nc1ncccn1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194316 952960754 /nfs/dbraw/zinc/96/07/54/952960754.db2.gz KGJJFHUZSXYOKL-SECBINFHSA-N -1 3 382.388 -0.574 20 0 GBADHM C[C@H](C(=O)Nc1ncccn1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194316 952960751 /nfs/dbraw/zinc/96/07/51/952960751.db2.gz KGJJFHUZSXYOKL-SECBINFHSA-N -1 3 382.388 -0.574 20 0 GBADHM C[C@@H](C(=O)Nc1ncccn1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194318 952960897 /nfs/dbraw/zinc/96/08/97/952960897.db2.gz KGJJFHUZSXYOKL-VIFPVBQESA-N -1 3 382.388 -0.574 20 0 GBADHM C[C@@H](C(=O)Nc1ncccn1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194318 952960894 /nfs/dbraw/zinc/96/08/94/952960894.db2.gz KGJJFHUZSXYOKL-VIFPVBQESA-N -1 3 382.388 -0.574 20 0 GBADHM Cn1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cc1=O ZINC001571194339 952962361 /nfs/dbraw/zinc/96/23/61/952962361.db2.gz KOZGGOPNIZMGGX-UHFFFAOYSA-N -1 3 382.384 -0.508 20 0 GBADHM Cn1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cc1=O ZINC001571194339 952962354 /nfs/dbraw/zinc/96/23/54/952962354.db2.gz KOZGGOPNIZMGGX-UHFFFAOYSA-N -1 3 382.384 -0.508 20 0 GBADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001571194343 952962131 /nfs/dbraw/zinc/96/21/31/952962131.db2.gz KSLCSUVNFROILZ-AAEUAGOBSA-N -1 3 382.384 -0.268 20 0 GBADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001571194343 952962128 /nfs/dbraw/zinc/96/21/28/952962128.db2.gz KSLCSUVNFROILZ-AAEUAGOBSA-N -1 3 382.384 -0.268 20 0 GBADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001571194345 952961569 /nfs/dbraw/zinc/96/15/69/952961569.db2.gz KSLCSUVNFROILZ-DGCLKSJQSA-N -1 3 382.384 -0.268 20 0 GBADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001571194345 952961565 /nfs/dbraw/zinc/96/15/65/952961565.db2.gz KSLCSUVNFROILZ-DGCLKSJQSA-N -1 3 382.384 -0.268 20 0 GBADHM O=C(N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001571194346 952961775 /nfs/dbraw/zinc/96/17/75/952961775.db2.gz KSLCSUVNFROILZ-WCQYABFASA-N -1 3 382.384 -0.268 20 0 GBADHM O=C(N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001571194346 952961772 /nfs/dbraw/zinc/96/17/72/952961772.db2.gz KSLCSUVNFROILZ-WCQYABFASA-N -1 3 382.384 -0.268 20 0 GBADHM O=C(N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001571194347 952962339 /nfs/dbraw/zinc/96/23/39/952962339.db2.gz KSLCSUVNFROILZ-YPMHNXCESA-N -1 3 382.384 -0.268 20 0 GBADHM O=C(N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001571194347 952962334 /nfs/dbraw/zinc/96/23/34/952962334.db2.gz KSLCSUVNFROILZ-YPMHNXCESA-N -1 3 382.384 -0.268 20 0 GBADHM Cc1c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)nnn1C ZINC001571194350 952962147 /nfs/dbraw/zinc/96/21/47/952962147.db2.gz MLLQMSITFXRUQH-WOFXILAISA-N -1 3 382.388 -0.868 20 0 GBADHM Cc1c(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)nnn1C ZINC001571194350 952962145 /nfs/dbraw/zinc/96/21/45/952962145.db2.gz MLLQMSITFXRUQH-WOFXILAISA-N -1 3 382.388 -0.868 20 0 GBADHM CN(C[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)c1nccnc1N ZINC001571194356 952961666 /nfs/dbraw/zinc/96/16/66/952961666.db2.gz MPBPXZLSYFIZBR-SECBINFHSA-N -1 3 382.388 -0.446 20 0 GBADHM CN(C[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)c1nccnc1N ZINC001571194356 952961663 /nfs/dbraw/zinc/96/16/63/952961663.db2.gz MPBPXZLSYFIZBR-SECBINFHSA-N -1 3 382.388 -0.446 20 0 GBADHM CN(C[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)c1nccnc1N ZINC001571194357 952962281 /nfs/dbraw/zinc/96/22/81/952962281.db2.gz MPBPXZLSYFIZBR-VIFPVBQESA-N -1 3 382.388 -0.446 20 0 GBADHM CN(C[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)c1nccnc1N ZINC001571194357 952962279 /nfs/dbraw/zinc/96/22/79/952962279.db2.gz MPBPXZLSYFIZBR-VIFPVBQESA-N -1 3 382.388 -0.446 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)ccn1 ZINC001571194372 952961878 /nfs/dbraw/zinc/96/18/78/952961878.db2.gz LDHAEPNDHIHFLP-ZIAGYGMSSA-N -1 3 382.384 -0.486 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)ccn1 ZINC001571194372 952961871 /nfs/dbraw/zinc/96/18/71/952961871.db2.gz LDHAEPNDHIHFLP-ZIAGYGMSSA-N -1 3 382.384 -0.486 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2nccnc2-c2nnn[n-]2)[nH]c1=O ZINC001571194380 952961713 /nfs/dbraw/zinc/96/17/13/952961713.db2.gz MTZKMRWMYZCAJR-KKZNHRDASA-N -1 3 382.388 -0.365 20 0 GBADHM Cn1nncc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571194382 952962090 /nfs/dbraw/zinc/96/20/90/952962090.db2.gz MUDHHYPUKCFLBS-FXAINCCUSA-N -1 3 382.388 -0.501 20 0 GBADHM Cn1nncc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001571194382 952962085 /nfs/dbraw/zinc/96/20/85/952962085.db2.gz MUDHHYPUKCFLBS-FXAINCCUSA-N -1 3 382.388 -0.501 20 0 GBADHM Nc1ncn(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC001571194383 952961659 /nfs/dbraw/zinc/96/16/59/952961659.db2.gz MVNDKOICNSVTLB-GFCCVEGCSA-N -1 3 382.388 -0.648 20 0 GBADHM Nc1ncn(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC001571194383 952961658 /nfs/dbraw/zinc/96/16/58/952961658.db2.gz MVNDKOICNSVTLB-GFCCVEGCSA-N -1 3 382.388 -0.648 20 0 GBADHM Nc1ncn(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)n1 ZINC001571194384 952961552 /nfs/dbraw/zinc/96/15/52/952961552.db2.gz MVNDKOICNSVTLB-LBPRGKRZSA-N -1 3 382.388 -0.648 20 0 GBADHM Nc1ncn(CC(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)n1 ZINC001571194384 952961548 /nfs/dbraw/zinc/96/15/48/952961548.db2.gz MVNDKOICNSVTLB-LBPRGKRZSA-N -1 3 382.388 -0.648 20 0 GBADHM O=C(Cn1ccc(=O)[nH]c1=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571194404 952962159 /nfs/dbraw/zinc/96/21/59/952962159.db2.gz LRSOHORWMXXMBJ-UHFFFAOYSA-N -1 3 382.384 -0.870 20 0 GBADHM O=C(Cn1ccc(=O)[nH]c1=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571194404 952962156 /nfs/dbraw/zinc/96/21/56/952962156.db2.gz LRSOHORWMXXMBJ-UHFFFAOYSA-N -1 3 382.384 -0.870 20 0 GBADHM NC(=O)Cc1occc1C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571194411 952961645 /nfs/dbraw/zinc/96/16/45/952961645.db2.gz LTKSMKOVUIPDNT-SNVBAGLBSA-N -1 3 382.384 -0.109 20 0 GBADHM NC(=O)Cc1occc1C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571194411 952961643 /nfs/dbraw/zinc/96/16/43/952961643.db2.gz LTKSMKOVUIPDNT-SNVBAGLBSA-N -1 3 382.384 -0.109 20 0 GBADHM Cn1cccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1=O ZINC001571194440 952963704 /nfs/dbraw/zinc/96/37/04/952963704.db2.gz MUEDHFCDQGFQEB-LLVKDONJSA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1cccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1=O ZINC001571194440 952963699 /nfs/dbraw/zinc/96/36/99/952963699.db2.gz MUEDHFCDQGFQEB-LLVKDONJSA-N -1 3 382.384 -0.462 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)c1ccccn1 ZINC001571194448 952963090 /nfs/dbraw/zinc/96/30/90/952963090.db2.gz NCMMCOAWYYMKRB-ZIAGYGMSSA-N -1 3 382.384 -0.141 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)c1ccccn1 ZINC001571194448 952963087 /nfs/dbraw/zinc/96/30/87/952963087.db2.gz NCMMCOAWYYMKRB-ZIAGYGMSSA-N -1 3 382.384 -0.141 20 0 GBADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)c1cc[nH]c(=O)c1 ZINC001571194475 952963154 /nfs/dbraw/zinc/96/31/54/952963154.db2.gz NRXGWYOAFVJVTM-GFCCVEGCSA-N -1 3 382.384 -0.003 20 0 GBADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)c1cc[nH]c(=O)c1 ZINC001571194475 952963150 /nfs/dbraw/zinc/96/31/50/952963150.db2.gz NRXGWYOAFVJVTM-GFCCVEGCSA-N -1 3 382.384 -0.003 20 0 GBADHM O=C(NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)c1cc[nH]c(=O)c1 ZINC001571194476 952963115 /nfs/dbraw/zinc/96/31/15/952963115.db2.gz NRXGWYOAFVJVTM-LBPRGKRZSA-N -1 3 382.384 -0.003 20 0 GBADHM O=C(NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)c1cc[nH]c(=O)c1 ZINC001571194476 952963112 /nfs/dbraw/zinc/96/31/12/952963112.db2.gz NRXGWYOAFVJVTM-LBPRGKRZSA-N -1 3 382.384 -0.003 20 0 GBADHM O=C(COc1cccnc1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571194530 952964817 /nfs/dbraw/zinc/96/48/17/952964817.db2.gz OMZFZVJXUWXJPL-GFCCVEGCSA-N -1 3 382.384 -0.001 20 0 GBADHM O=C(COc1cccnc1)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571194530 952964812 /nfs/dbraw/zinc/96/48/12/952964812.db2.gz OMZFZVJXUWXJPL-GFCCVEGCSA-N -1 3 382.384 -0.001 20 0 GBADHM O=C(COc1cccnc1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571194531 952964603 /nfs/dbraw/zinc/96/46/03/952964603.db2.gz OMZFZVJXUWXJPL-LBPRGKRZSA-N -1 3 382.384 -0.001 20 0 GBADHM O=C(COc1cccnc1)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571194531 952964599 /nfs/dbraw/zinc/96/45/99/952964599.db2.gz OMZFZVJXUWXJPL-LBPRGKRZSA-N -1 3 382.384 -0.001 20 0 GBADHM Cc1ccncc1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001571194532 952964611 /nfs/dbraw/zinc/96/46/11/952964611.db2.gz OMZXVVRQLZMZKR-ZIAGYGMSSA-N -1 3 382.384 -0.486 20 0 GBADHM Cc1ccncc1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001571194532 952964609 /nfs/dbraw/zinc/96/46/09/952964609.db2.gz OMZXVVRQLZMZKR-ZIAGYGMSSA-N -1 3 382.384 -0.486 20 0 GBADHM Cc1cncc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)c1 ZINC001571194533 952964102 /nfs/dbraw/zinc/96/41/02/952964102.db2.gz OOFCCHFETPSLLG-KGLIPLIRSA-N -1 3 382.384 -0.486 20 0 GBADHM Cc1cncc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)c1 ZINC001571194533 952964096 /nfs/dbraw/zinc/96/40/96/952964096.db2.gz OOFCCHFETPSLLG-KGLIPLIRSA-N -1 3 382.384 -0.486 20 0 GBADHM Cn1cc(C(=O)N2C[C@@H]3CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)[C@@H]3C2)nn1 ZINC001571194579 952966086 /nfs/dbraw/zinc/96/60/86/952966086.db2.gz PKDLBKWBOROLJM-TVQRCGJNSA-N -1 3 382.388 -0.690 20 0 GBADHM Cn1cc(C(=O)N2C[C@@H]3CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)[C@@H]3C2)nn1 ZINC001571194579 952966081 /nfs/dbraw/zinc/96/60/81/952966081.db2.gz PKDLBKWBOROLJM-TVQRCGJNSA-N -1 3 382.388 -0.690 20 0 GBADHM Cn1nncc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194598 952965759 /nfs/dbraw/zinc/96/57/59/952965759.db2.gz PTAKOUKTAYBHSQ-PHIMTYICSA-N -1 3 382.388 -0.548 20 0 GBADHM Cn1nncc1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194598 952965755 /nfs/dbraw/zinc/96/57/55/952965755.db2.gz PTAKOUKTAYBHSQ-PHIMTYICSA-N -1 3 382.388 -0.548 20 0 GBADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1nc[nH]n1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571194605 952966148 /nfs/dbraw/zinc/96/61/48/952966148.db2.gz PZDDZBLDOBASSZ-PBINXNQUSA-N -1 3 382.388 -0.122 20 0 GBADHM Cn1c(=O)cccc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571194624 952965518 /nfs/dbraw/zinc/96/55/18/952965518.db2.gz PCADQJABCNWFDW-SNVBAGLBSA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1c(=O)cccc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571194624 952965513 /nfs/dbraw/zinc/96/55/13/952965513.db2.gz PCADQJABCNWFDW-SNVBAGLBSA-N -1 3 382.384 -0.462 20 0 GBADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)n1cncn1 ZINC001571194641 952965304 /nfs/dbraw/zinc/96/53/04/952965304.db2.gz PHINCVBUBTUWLV-DNJQJEMRSA-N -1 3 382.388 -0.766 20 0 GBADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)n1cncn1 ZINC001571194641 952965297 /nfs/dbraw/zinc/96/52/97/952965297.db2.gz PHINCVBUBTUWLV-DNJQJEMRSA-N -1 3 382.388 -0.766 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)n1cncn1 ZINC001571194642 952965671 /nfs/dbraw/zinc/96/56/71/952965671.db2.gz PHINCVBUBTUWLV-QISWUMQESA-N -1 3 382.388 -0.766 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)n1cncn1 ZINC001571194642 952965666 /nfs/dbraw/zinc/96/56/66/952965666.db2.gz PHINCVBUBTUWLV-QISWUMQESA-N -1 3 382.388 -0.766 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2cccnc2)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194653 952965810 /nfs/dbraw/zinc/96/58/10/952965810.db2.gz PVOQRVKRYCWPKP-GXTWGEPZSA-N -1 3 382.384 -0.405 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2cccnc2)C[C@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194653 952965805 /nfs/dbraw/zinc/96/58/05/952965805.db2.gz PVOQRVKRYCWPKP-GXTWGEPZSA-N -1 3 382.384 -0.405 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2cccnc2)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194654 952966117 /nfs/dbraw/zinc/96/61/17/952966117.db2.gz PVOQRVKRYCWPKP-JSGCOSHPSA-N -1 3 382.384 -0.405 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2cccnc2)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194654 952966113 /nfs/dbraw/zinc/96/61/13/952966113.db2.gz PVOQRVKRYCWPKP-JSGCOSHPSA-N -1 3 382.384 -0.405 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194655 952966073 /nfs/dbraw/zinc/96/60/73/952966073.db2.gz PVOQRVKRYCWPKP-OCCSQVGLSA-N -1 3 382.384 -0.405 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194655 952966070 /nfs/dbraw/zinc/96/60/70/952966070.db2.gz PVOQRVKRYCWPKP-OCCSQVGLSA-N -1 3 382.384 -0.405 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cccnc2)C[C@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194656 952966264 /nfs/dbraw/zinc/96/62/64/952966264.db2.gz PVOQRVKRYCWPKP-TZMCWYRMSA-N -1 3 382.384 -0.405 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cccnc2)C[C@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194656 952966258 /nfs/dbraw/zinc/96/62/58/952966258.db2.gz PVOQRVKRYCWPKP-TZMCWYRMSA-N -1 3 382.384 -0.405 20 0 GBADHM O=C(Cc1ccon1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571194659 952967180 /nfs/dbraw/zinc/96/71/80/952967180.db2.gz PXINNZARJOWFRL-XYYAHUGASA-N -1 3 382.384 -0.140 20 0 GBADHM O=C(Cc1ccon1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571194659 952967175 /nfs/dbraw/zinc/96/71/75/952967175.db2.gz PXINNZARJOWFRL-XYYAHUGASA-N -1 3 382.384 -0.140 20 0 GBADHM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)ccn1 ZINC001571194664 952966986 /nfs/dbraw/zinc/96/69/86/952966986.db2.gz QBGNGTNLKQDVOK-CHWSQXEVSA-N -1 3 382.384 -0.355 20 0 GBADHM COc1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)ccn1 ZINC001571194664 952966984 /nfs/dbraw/zinc/96/69/84/952966984.db2.gz QBGNGTNLKQDVOK-CHWSQXEVSA-N -1 3 382.384 -0.355 20 0 GBADHM NC(=O)Cc1occc1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571194665 952967083 /nfs/dbraw/zinc/96/70/83/952967083.db2.gz QBSQHVSBTMEAKW-UHFFFAOYSA-N -1 3 382.384 -0.155 20 0 GBADHM NC(=O)Cc1occc1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571194665 952967080 /nfs/dbraw/zinc/96/70/80/952967080.db2.gz QBSQHVSBTMEAKW-UHFFFAOYSA-N -1 3 382.384 -0.155 20 0 GBADHM O=C(Cn1ccccc1=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571194687 952966821 /nfs/dbraw/zinc/96/68/21/952966821.db2.gz QXLZLUBDRQNPEP-UHFFFAOYSA-N -1 3 382.384 -0.659 20 0 GBADHM O=C(Cn1ccccc1=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571194687 952966815 /nfs/dbraw/zinc/96/68/15/952966815.db2.gz QXLZLUBDRQNPEP-UHFFFAOYSA-N -1 3 382.384 -0.659 20 0 GBADHM C[C@H](C(=O)Nc1ncccn1)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571194691 952967237 /nfs/dbraw/zinc/96/72/37/952967237.db2.gz RACRBXAEDQPSGW-SECBINFHSA-N -1 3 382.388 -0.574 20 0 GBADHM C[C@H](C(=O)Nc1ncccn1)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571194691 952967230 /nfs/dbraw/zinc/96/72/30/952967230.db2.gz RACRBXAEDQPSGW-SECBINFHSA-N -1 3 382.388 -0.574 20 0 GBADHM C[C@@H](C(=O)Nc1ncccn1)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571194692 952966942 /nfs/dbraw/zinc/96/69/42/952966942.db2.gz RACRBXAEDQPSGW-VIFPVBQESA-N -1 3 382.388 -0.574 20 0 GBADHM C[C@@H](C(=O)Nc1ncccn1)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571194692 952966938 /nfs/dbraw/zinc/96/69/38/952966938.db2.gz RACRBXAEDQPSGW-VIFPVBQESA-N -1 3 382.388 -0.574 20 0 GBADHM Cc1nnc(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[nH]1 ZINC001571194728 952966990 /nfs/dbraw/zinc/96/69/90/952966990.db2.gz QWBUTNRKSHKQJI-MSRIBSCDSA-N -1 3 382.388 -0.949 20 0 GBADHM Cc1nnc(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[nH]1 ZINC001571194728 952966989 /nfs/dbraw/zinc/96/69/89/952966989.db2.gz QWBUTNRKSHKQJI-MSRIBSCDSA-N -1 3 382.388 -0.949 20 0 GBADHM O=C(Cn1cncn1)N1C[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571194731 952967074 /nfs/dbraw/zinc/96/70/74/952967074.db2.gz RBEAEDNULVCVFS-ZWNOBZJWSA-N -1 3 382.388 -0.841 20 0 GBADHM O=C(Cn1cncn1)N1C[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571194731 952967069 /nfs/dbraw/zinc/96/70/69/952967069.db2.gz RBEAEDNULVCVFS-ZWNOBZJWSA-N -1 3 382.388 -0.841 20 0 GBADHM Cc1n[nH]nc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571194737 952966918 /nfs/dbraw/zinc/96/69/18/952966918.db2.gz RFUJOPMNOGOQJP-ZHAHWJHGSA-N -1 3 382.388 -0.203 20 0 GBADHM C[C@@H]1CCc2nc(NC(=O)Cn3cnc(C(N)=O)n3)c(-c3nn[n-]n3)cc2C1 ZINC001571194772 952968244 /nfs/dbraw/zinc/96/82/44/952968244.db2.gz SKVVCTMWYRHAPX-MRVPVSSYSA-N -1 3 382.388 -0.284 20 0 GBADHM C[C@@H]1CCc2nc(NC(=O)Cn3cnc(C(N)=O)n3)c(-c3nnn[n-]3)cc2C1 ZINC001571194772 952968241 /nfs/dbraw/zinc/96/82/41/952968241.db2.gz SKVVCTMWYRHAPX-MRVPVSSYSA-N -1 3 382.388 -0.284 20 0 GBADHM C[C@H]1CCc2nc(NC(=O)Cn3cnc(C(N)=O)n3)c(-c3nn[n-]n3)cc2C1 ZINC001571194773 952967709 /nfs/dbraw/zinc/96/77/09/952967709.db2.gz SKVVCTMWYRHAPX-QMMMGPOBSA-N -1 3 382.388 -0.284 20 0 GBADHM C[C@H]1CCc2nc(NC(=O)Cn3cnc(C(N)=O)n3)c(-c3nnn[n-]3)cc2C1 ZINC001571194773 952967704 /nfs/dbraw/zinc/96/77/04/952967704.db2.gz SKVVCTMWYRHAPX-QMMMGPOBSA-N -1 3 382.388 -0.284 20 0 GBADHM Cn1ncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1N ZINC001571194782 952968503 /nfs/dbraw/zinc/96/85/03/952968503.db2.gz STTGTCIHHPOJCH-IAZYJMLFSA-N -1 3 382.388 -0.989 20 0 GBADHM Cn1ncc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1N ZINC001571194782 952968498 /nfs/dbraw/zinc/96/84/98/952968498.db2.gz STTGTCIHHPOJCH-IAZYJMLFSA-N -1 3 382.388 -0.989 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571194783 952967832 /nfs/dbraw/zinc/96/78/32/952967832.db2.gz SVUDAWLTFSTYRD-UHFFFAOYSA-N -1 3 382.388 -0.390 20 0 GBADHM Cn1ccnc(NC(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)c1=O ZINC001571194789 952967936 /nfs/dbraw/zinc/96/79/36/952967936.db2.gz SYGAIVIRVAIUML-UHFFFAOYSA-N -1 3 382.388 -0.291 20 0 GBADHM Cn1ccnc(NC(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)c1=O ZINC001571194789 952967932 /nfs/dbraw/zinc/96/79/32/952967932.db2.gz SYGAIVIRVAIUML-UHFFFAOYSA-N -1 3 382.388 -0.291 20 0 GBADHM O=C(Cc1ccc(=O)[nH]c1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194816 952968486 /nfs/dbraw/zinc/96/84/86/952968486.db2.gz RPLMHQRPCFGULF-GFCCVEGCSA-N -1 3 382.384 -0.131 20 0 GBADHM O=C(Cc1ccc(=O)[nH]c1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194816 952968479 /nfs/dbraw/zinc/96/84/79/952968479.db2.gz RPLMHQRPCFGULF-GFCCVEGCSA-N -1 3 382.384 -0.131 20 0 GBADHM O=C(Cc1ccc(=O)[nH]c1)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194817 952968191 /nfs/dbraw/zinc/96/81/91/952968191.db2.gz RPLMHQRPCFGULF-LBPRGKRZSA-N -1 3 382.384 -0.131 20 0 GBADHM O=C(Cc1ccc(=O)[nH]c1)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194817 952968186 /nfs/dbraw/zinc/96/81/86/952968186.db2.gz RPLMHQRPCFGULF-LBPRGKRZSA-N -1 3 382.384 -0.131 20 0 GBADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)c1cccc(=O)[nH]1 ZINC001571194818 952969643 /nfs/dbraw/zinc/96/96/43/952969643.db2.gz RQFVPBXCLHBVEM-LLVKDONJSA-N -1 3 382.384 -0.003 20 0 GBADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)c1cccc(=O)[nH]1 ZINC001571194818 952969631 /nfs/dbraw/zinc/96/96/31/952969631.db2.gz RQFVPBXCLHBVEM-LLVKDONJSA-N -1 3 382.384 -0.003 20 0 GBADHM O=C(NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)c1cccc(=O)[nH]1 ZINC001571194819 952969560 /nfs/dbraw/zinc/96/95/60/952969560.db2.gz RQFVPBXCLHBVEM-NSHDSACASA-N -1 3 382.384 -0.003 20 0 GBADHM O=C(NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)c1cccc(=O)[nH]1 ZINC001571194819 952969554 /nfs/dbraw/zinc/96/95/54/952969554.db2.gz RQFVPBXCLHBVEM-NSHDSACASA-N -1 3 382.384 -0.003 20 0 GBADHM O=C(Cn1ccccc1=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194828 952969155 /nfs/dbraw/zinc/96/91/55/952969155.db2.gz SBOPAGHNBVANTL-GFCCVEGCSA-N -1 3 382.384 -0.613 20 0 GBADHM O=C(Cn1ccccc1=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194828 952969151 /nfs/dbraw/zinc/96/91/51/952969151.db2.gz SBOPAGHNBVANTL-GFCCVEGCSA-N -1 3 382.384 -0.613 20 0 GBADHM O=C(Cn1ccccc1=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571194829 952969461 /nfs/dbraw/zinc/96/94/61/952969461.db2.gz SBOPAGHNBVANTL-LBPRGKRZSA-N -1 3 382.384 -0.613 20 0 GBADHM O=C(Cn1ccccc1=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571194829 952969459 /nfs/dbraw/zinc/96/94/59/952969459.db2.gz SBOPAGHNBVANTL-LBPRGKRZSA-N -1 3 382.384 -0.613 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001571194840 952970248 /nfs/dbraw/zinc/97/02/48/952970248.db2.gz SRTXQDYXICVITF-UHFFFAOYSA-N -1 3 382.384 -0.015 20 0 GBADHM O=C(Cn1ccccc1=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571194841 952969248 /nfs/dbraw/zinc/96/92/48/952969248.db2.gz SRYMGLHXICIPOS-GFCCVEGCSA-N -1 3 382.384 -0.613 20 0 GBADHM O=C(Cn1ccccc1=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571194841 952969240 /nfs/dbraw/zinc/96/92/40/952969240.db2.gz SRYMGLHXICIPOS-GFCCVEGCSA-N -1 3 382.384 -0.613 20 0 GBADHM Cc1cnccc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001571194853 952969083 /nfs/dbraw/zinc/96/90/83/952969083.db2.gz SYQOVGUCIISDTA-ZIAGYGMSSA-N -1 3 382.384 -0.486 20 0 GBADHM Cc1cnccc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001571194853 952969079 /nfs/dbraw/zinc/96/90/79/952969079.db2.gz SYQOVGUCIISDTA-ZIAGYGMSSA-N -1 3 382.384 -0.486 20 0 GBADHM O=C(Cc1cccnc1)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001571194865 952969453 /nfs/dbraw/zinc/96/94/53/952969453.db2.gz UFBLTDJYCZMAKH-KGLIPLIRSA-N -1 3 382.384 -0.866 20 0 GBADHM O=C(Cc1cccnc1)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001571194865 952969451 /nfs/dbraw/zinc/96/94/51/952969451.db2.gz UFBLTDJYCZMAKH-KGLIPLIRSA-N -1 3 382.384 -0.866 20 0 GBADHM O=C(c1cnon1)N1CCOC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001571194874 952969480 /nfs/dbraw/zinc/96/94/80/952969480.db2.gz UNCYMRZGVRKHKW-UHFFFAOYSA-N -1 3 382.384 -0.023 20 0 GBADHM O=C(c1cnon1)N1CCOC2(CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001571194874 952969475 /nfs/dbraw/zinc/96/94/75/952969475.db2.gz UNCYMRZGVRKHKW-UHFFFAOYSA-N -1 3 382.384 -0.023 20 0 GBADHM Nc1nccnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1F ZINC001571194876 952969755 /nfs/dbraw/zinc/96/97/55/952969755.db2.gz UOKHROXQBKGMMB-UWVGGRQHSA-N -1 3 382.363 -0.124 20 0 GBADHM Nc1nccnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nnn[n-]2)cc1F ZINC001571194876 952969744 /nfs/dbraw/zinc/96/97/44/952969744.db2.gz UOKHROXQBKGMMB-UWVGGRQHSA-N -1 3 382.363 -0.124 20 0 GBADHM CO[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571194882 952970169 /nfs/dbraw/zinc/97/01/69/952970169.db2.gz UVWNNCGXWLTTPE-ZIAGYGMSSA-N -1 3 382.384 -0.141 20 0 GBADHM CO[C@@H]1CN(C(=O)c2cccnc2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571194882 952970161 /nfs/dbraw/zinc/97/01/61/952970161.db2.gz UVWNNCGXWLTTPE-ZIAGYGMSSA-N -1 3 382.384 -0.141 20 0 GBADHM Cc1cccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)n1 ZINC001571194890 952969945 /nfs/dbraw/zinc/96/99/45/952969945.db2.gz VBSSGFBAKKMTDN-ZIAGYGMSSA-N -1 3 382.384 -0.486 20 0 GBADHM Cc1cccc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)n1 ZINC001571194890 952969940 /nfs/dbraw/zinc/96/99/40/952969940.db2.gz VBSSGFBAKKMTDN-ZIAGYGMSSA-N -1 3 382.384 -0.486 20 0 GBADHM Cn1cccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1=O ZINC001571194895 952969389 /nfs/dbraw/zinc/96/93/89/952969389.db2.gz VEURAQUSSLEZEP-LLVKDONJSA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1cccc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1=O ZINC001571194895 952969387 /nfs/dbraw/zinc/96/93/87/952969387.db2.gz VEURAQUSSLEZEP-LLVKDONJSA-N -1 3 382.384 -0.462 20 0 GBADHM Cc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571194905 952970721 /nfs/dbraw/zinc/97/07/21/952970721.db2.gz VZLSOBVJSAOWNO-ZIAGYGMSSA-N -1 3 382.384 -0.486 20 0 GBADHM Cc1ncccc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571194905 952970718 /nfs/dbraw/zinc/97/07/18/952970718.db2.gz VZLSOBVJSAOWNO-ZIAGYGMSSA-N -1 3 382.384 -0.486 20 0 GBADHM O=C(NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)c1ccccc1O ZINC001571194907 952970589 /nfs/dbraw/zinc/97/05/89/952970589.db2.gz WCCCYFXBYCDIHY-LLVKDONJSA-N -1 3 382.384 -0.003 20 0 GBADHM O=C(NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nn2)CCO1)c1ccccc1O ZINC001571194908 952970531 /nfs/dbraw/zinc/97/05/31/952970531.db2.gz WCCCYFXBYCDIHY-NSHDSACASA-N -1 3 382.384 -0.003 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)c1N ZINC001571194923 952970803 /nfs/dbraw/zinc/97/08/03/952970803.db2.gz UIFKDHFDTRNARF-IAZYJMLFSA-N -1 3 382.388 -0.989 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)c1N ZINC001571194923 952970800 /nfs/dbraw/zinc/97/08/00/952970800.db2.gz UIFKDHFDTRNARF-IAZYJMLFSA-N -1 3 382.388 -0.989 20 0 GBADHM O=C(Cn1nccn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571194962 952971674 /nfs/dbraw/zinc/97/16/74/952971674.db2.gz VMPURFFRPAGUQI-ICCXJUOJSA-N -1 3 382.388 -0.652 20 0 GBADHM O=C(Cn1nccn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001571194962 952971671 /nfs/dbraw/zinc/97/16/71/952971671.db2.gz VMPURFFRPAGUQI-ICCXJUOJSA-N -1 3 382.388 -0.652 20 0 GBADHM O=C(Cn1nccn1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571194965 952970552 /nfs/dbraw/zinc/97/05/52/952970552.db2.gz VOEDBEYUYJCSSH-TXEJJXNPSA-N -1 3 382.388 -0.698 20 0 GBADHM O=C(Cn1nccn1)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571194965 952970548 /nfs/dbraw/zinc/97/05/48/952970548.db2.gz VOEDBEYUYJCSSH-TXEJJXNPSA-N -1 3 382.388 -0.698 20 0 GBADHM Cc1nc[nH]c(=O)c1C(=O)N[C@@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571194986 952972610 /nfs/dbraw/zinc/97/26/10/952972610.db2.gz WLFRSNYWNWDAOZ-INIZCTEOSA-N -1 3 382.388 -0.140 20 0 GBADHM Cc1nc[nH]c(=O)c1C(=O)N[C@]1(C)CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571194987 952972225 /nfs/dbraw/zinc/97/22/25/952972225.db2.gz WLFRSNYWNWDAOZ-MRXNPFEDSA-N -1 3 382.388 -0.140 20 0 GBADHM CN(Cc1nnc2n1CCNC2=O)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001571194993 952972175 /nfs/dbraw/zinc/97/21/75/952972175.db2.gz WSRWPZUADVFNQR-UHFFFAOYSA-N -1 3 382.388 -0.728 20 0 GBADHM O=C(Cn1cncn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001571194997 952971922 /nfs/dbraw/zinc/97/19/22/952971922.db2.gz WYERLGBDPJCASS-ICCXJUOJSA-N -1 3 382.388 -0.652 20 0 GBADHM O=C(Cn1cncn1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001571194997 952971918 /nfs/dbraw/zinc/97/19/18/952971918.db2.gz WYERLGBDPJCASS-ICCXJUOJSA-N -1 3 382.388 -0.652 20 0 GBADHM O=C(Cn1cncn1)N1[C@@H]2CC[C@H]1CN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001571195002 952972128 /nfs/dbraw/zinc/97/21/28/952972128.db2.gz XBMZZFVBOWWZFA-TXEJJXNPSA-N -1 3 382.388 -0.698 20 0 GBADHM O=C(Cn1cncn1)N1[C@@H]2CC[C@H]1CN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001571195002 952972122 /nfs/dbraw/zinc/97/21/22/952972122.db2.gz XBMZZFVBOWWZFA-TXEJJXNPSA-N -1 3 382.388 -0.698 20 0 GBADHM O=C(NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cn[nH]n1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571195009 952972076 /nfs/dbraw/zinc/97/20/76/952972076.db2.gz XIYQAEGPMSJJBR-FGWVZKOKSA-N -1 3 382.388 -0.122 20 0 GBADHM Cn1cccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1=O ZINC001571195036 952972521 /nfs/dbraw/zinc/97/25/21/952972521.db2.gz WQSJUZLNRPLJDW-LLVKDONJSA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1cccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1=O ZINC001571195036 952972517 /nfs/dbraw/zinc/97/25/17/952972517.db2.gz WQSJUZLNRPLJDW-LLVKDONJSA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1cccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1=O ZINC001571195037 952972564 /nfs/dbraw/zinc/97/25/64/952972564.db2.gz WQSJUZLNRPLJDW-NSHDSACASA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1cccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1=O ZINC001571195037 952972563 /nfs/dbraw/zinc/97/25/63/952972563.db2.gz WQSJUZLNRPLJDW-NSHDSACASA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1ccc(=O)c(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571195052 952972272 /nfs/dbraw/zinc/97/22/72/952972272.db2.gz XAXNODVABFSRNV-LLVKDONJSA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1ccc(=O)c(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571195052 952972270 /nfs/dbraw/zinc/97/22/70/952972270.db2.gz XAXNODVABFSRNV-LLVKDONJSA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1ccc(=O)c(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001571195053 952972641 /nfs/dbraw/zinc/97/26/41/952972641.db2.gz XAXNODVABFSRNV-NSHDSACASA-N -1 3 382.384 -0.462 20 0 GBADHM Cn1ccc(=O)c(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001571195053 952972639 /nfs/dbraw/zinc/97/26/39/952972639.db2.gz XAXNODVABFSRNV-NSHDSACASA-N -1 3 382.384 -0.462 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)c1cccnc1 ZINC001571195056 952972694 /nfs/dbraw/zinc/97/26/94/952972694.db2.gz XFOGJMLLYFIDGV-ZIAGYGMSSA-N -1 3 382.384 -0.141 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)c1cccnc1 ZINC001571195056 952972692 /nfs/dbraw/zinc/97/26/92/952972692.db2.gz XFOGJMLLYFIDGV-ZIAGYGMSSA-N -1 3 382.384 -0.141 20 0 GBADHM Cc1cncc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)c1 ZINC001571195064 952974166 /nfs/dbraw/zinc/97/41/66/952974166.db2.gz XKTRRJSHSQPWIF-KGLIPLIRSA-N -1 3 382.384 -0.486 20 0 GBADHM Cc1cncc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)c1 ZINC001571195064 952974163 /nfs/dbraw/zinc/97/41/63/952974163.db2.gz XKTRRJSHSQPWIF-KGLIPLIRSA-N -1 3 382.384 -0.486 20 0 GBADHM COc1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)cn1 ZINC001571195098 952973194 /nfs/dbraw/zinc/97/31/94/952973194.db2.gz YNZZBHDEDPFXSA-CHWSQXEVSA-N -1 3 382.384 -0.355 20 0 GBADHM COc1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)cn1 ZINC001571195098 952973188 /nfs/dbraw/zinc/97/31/88/952973188.db2.gz YNZZBHDEDPFXSA-CHWSQXEVSA-N -1 3 382.384 -0.355 20 0 GBADHM COc1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)cn1 ZINC001571195099 952973235 /nfs/dbraw/zinc/97/32/35/952973235.db2.gz YNZZBHDEDPFXSA-OLZOCXBDSA-N -1 3 382.384 -0.355 20 0 GBADHM COc1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)cn1 ZINC001571195099 952973230 /nfs/dbraw/zinc/97/32/30/952973230.db2.gz YNZZBHDEDPFXSA-OLZOCXBDSA-N -1 3 382.384 -0.355 20 0 GBADHM O=C(CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCC(=O)NCc1ccccc1 ZINC001571195105 952973873 /nfs/dbraw/zinc/97/38/73/952973873.db2.gz YREVBDDICURCMB-UHFFFAOYSA-N -1 3 382.384 -0.643 20 0 GBADHM O=C(CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCC(=O)NCc1ccccc1 ZINC001571195105 952973866 /nfs/dbraw/zinc/97/38/66/952973866.db2.gz YREVBDDICURCMB-UHFFFAOYSA-N -1 3 382.384 -0.643 20 0 GBADHM COc1ccnc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)c1 ZINC001571195122 952973784 /nfs/dbraw/zinc/97/37/84/952973784.db2.gz ZQRZEZCGYURCHC-HUUCEWRRSA-N -1 3 382.384 -0.355 20 0 GBADHM COc1ccnc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)c1 ZINC001571195122 952973778 /nfs/dbraw/zinc/97/37/78/952973778.db2.gz ZQRZEZCGYURCHC-HUUCEWRRSA-N -1 3 382.384 -0.355 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001571195123 952973832 /nfs/dbraw/zinc/97/38/32/952973832.db2.gz XSGLCBRXSPMWRB-JTQLQIEISA-N -1 3 382.388 -0.446 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001571195123 952973824 /nfs/dbraw/zinc/97/38/24/952973824.db2.gz XSGLCBRXSPMWRB-JTQLQIEISA-N -1 3 382.388 -0.446 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001571195126 952974052 /nfs/dbraw/zinc/97/40/52/952974052.db2.gz XSGLCBRXSPMWRB-SNVBAGLBSA-N -1 3 382.388 -0.446 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC001571195126 952974049 /nfs/dbraw/zinc/97/40/49/952974049.db2.gz XSGLCBRXSPMWRB-SNVBAGLBSA-N -1 3 382.388 -0.446 20 0 GBADHM CNC(=O)CN1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571195130 952974276 /nfs/dbraw/zinc/97/42/76/952974276.db2.gz ZUROJFZEZSTAJI-JTQLQIEISA-N -1 3 382.375 -0.372 20 0 GBADHM CNC(=O)CN1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571195130 952974274 /nfs/dbraw/zinc/97/42/74/952974274.db2.gz ZUROJFZEZSTAJI-JTQLQIEISA-N -1 3 382.375 -0.372 20 0 GBADHM CNC(=O)CN1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571195132 952974223 /nfs/dbraw/zinc/97/42/23/952974223.db2.gz ZUROJFZEZSTAJI-SNVBAGLBSA-N -1 3 382.375 -0.372 20 0 GBADHM CNC(=O)CN1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571195132 952974221 /nfs/dbraw/zinc/97/42/21/952974221.db2.gz ZUROJFZEZSTAJI-SNVBAGLBSA-N -1 3 382.375 -0.372 20 0 GBADHM Cc1n[nH]nc1C(=O)N1C[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001571195143 952975033 /nfs/dbraw/zinc/97/50/33/952975033.db2.gz XYVYMWWVIDZVJM-BXKDBHETSA-N -1 3 382.388 -0.392 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571195147 952975561 /nfs/dbraw/zinc/97/55/61/952975561.db2.gz ZXPQSAHBRXBJNB-ZIAGYGMSSA-N -1 3 382.384 -0.141 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571195147 952975555 /nfs/dbraw/zinc/97/55/55/952975555.db2.gz ZXPQSAHBRXBJNB-ZIAGYGMSSA-N -1 3 382.384 -0.141 20 0 GBADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)Nc1cnccn1 ZINC001571195150 952974932 /nfs/dbraw/zinc/97/49/32/952974932.db2.gz YDPVYPJPGGDPBO-UHFFFAOYSA-N -1 3 382.388 -0.619 20 0 GBADHM O=C(CN1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)Nc1cnccn1 ZINC001571195150 952974924 /nfs/dbraw/zinc/97/49/24/952974924.db2.gz YDPVYPJPGGDPBO-UHFFFAOYSA-N -1 3 382.388 -0.619 20 0 GBADHM C[C@]12CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]1CN(C(=O)c1nc[nH]n1)C2 ZINC001571195153 952975011 /nfs/dbraw/zinc/97/50/11/952975011.db2.gz YGMXGOYILKUCOT-XXFAHNHDSA-N -1 3 382.388 -0.453 20 0 GBADHM CN(c1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)c2cnc[nH]c2=O)CC1 ZINC001571195191 952975623 /nfs/dbraw/zinc/97/56/23/952975623.db2.gz ZDUPSOGAERKAEV-UHFFFAOYSA-N -1 3 382.388 -0.107 20 0 GBADHM Cn1cnc(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)[C@@H]3C2)n1 ZINC001571195196 952975047 /nfs/dbraw/zinc/97/50/47/952975047.db2.gz ZDXIDGXTAUWNNF-JOYOIKCWSA-N -1 3 382.388 -0.690 20 0 GBADHM Cn1cnc(C(=O)N2C[C@@H]3CCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)[C@@H]3C2)n1 ZINC001571195196 952975042 /nfs/dbraw/zinc/97/50/42/952975042.db2.gz ZDXIDGXTAUWNNF-JOYOIKCWSA-N -1 3 382.388 -0.690 20 0 GBADHM O=C(CN1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)Nc1cnccn1 ZINC001571195197 952975613 /nfs/dbraw/zinc/97/56/13/952975613.db2.gz ZFDVIIZSGNEQGM-UHFFFAOYSA-N -1 3 382.388 -0.715 20 0 GBADHM O=C(CN1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)Nc1cnccn1 ZINC001571195197 952975610 /nfs/dbraw/zinc/97/56/10/952975610.db2.gz ZFDVIIZSGNEQGM-UHFFFAOYSA-N -1 3 382.388 -0.715 20 0 GBADHM Cn1ncc(NC(=O)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)cc1=O ZINC001571195204 952975593 /nfs/dbraw/zinc/97/55/93/952975593.db2.gz ZHGYIUXEGWTWCN-UHFFFAOYSA-N -1 3 382.388 -0.291 20 0 GBADHM Cn1ncc(NC(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)cc1=O ZINC001571195204 952975589 /nfs/dbraw/zinc/97/55/89/952975589.db2.gz ZHGYIUXEGWTWCN-UHFFFAOYSA-N -1 3 382.388 -0.291 20 0 GBADHM Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(-c5nn[n-]n5)c4)C[C@H]32)nn1 ZINC001571195212 952975466 /nfs/dbraw/zinc/97/54/66/952975466.db2.gz ZMDZWKWBCFRDEM-NOZJJQNGSA-N -1 3 382.388 -0.690 20 0 GBADHM Cn1cc(C(=O)N2C[C@H]3CCN(C(=O)c4c[nH]c(-c5nnn[n-]5)c4)C[C@H]32)nn1 ZINC001571195212 952975462 /nfs/dbraw/zinc/97/54/62/952975462.db2.gz ZMDZWKWBCFRDEM-NOZJJQNGSA-N -1 3 382.388 -0.690 20 0 GBADHM O=C(c1nc[nH]n1)N1CC2(C1)CCCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001571195221 952976635 /nfs/dbraw/zinc/97/66/35/952976635.db2.gz ZRLREDJJZJGNOQ-UHFFFAOYSA-N -1 3 382.388 -0.309 20 0 GBADHM O=C(c1nc[nH]n1)N1CC2(C1)CCCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001571195221 952976633 /nfs/dbraw/zinc/97/66/33/952976633.db2.gz ZRLREDJJZJGNOQ-UHFFFAOYSA-N -1 3 382.388 -0.309 20 0 GBADHM Cn1cnc(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)n1 ZINC001571195231 952976042 /nfs/dbraw/zinc/97/60/42/952976042.db2.gz ZZUXZUADHCSRJB-BXKDBHETSA-N -1 3 382.388 -0.690 20 0 GBADHM Cn1cnc(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)n1 ZINC001571195231 952976038 /nfs/dbraw/zinc/97/60/38/952976038.db2.gz ZZUXZUADHCSRJB-BXKDBHETSA-N -1 3 382.388 -0.690 20 0 GBADHM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001571195626 952978056 /nfs/dbraw/zinc/97/80/56/952978056.db2.gz DCYZCKIUYBZGLI-UHFFFAOYSA-N -1 3 382.402 -0.786 20 0 GBADHM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001571195626 952978050 /nfs/dbraw/zinc/97/80/50/952978050.db2.gz DCYZCKIUYBZGLI-UHFFFAOYSA-N -1 3 382.402 -0.786 20 0 GBADHM COC(=O)[C@@H](C[C@H]1CCCO1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571196383 952981078 /nfs/dbraw/zinc/98/10/78/952981078.db2.gz KDEHXJJMZCPZMJ-GHMZBOCLSA-N -1 3 382.402 -0.349 20 0 GBADHM COC(=O)[C@@H](C[C@H]1CCCO1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571196383 952981074 /nfs/dbraw/zinc/98/10/74/952981074.db2.gz KDEHXJJMZCPZMJ-GHMZBOCLSA-N -1 3 382.402 -0.349 20 0 GBADHM COC(=O)[C@H](C[C@H]1CCCO1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571196384 952981639 /nfs/dbraw/zinc/98/16/39/952981639.db2.gz KDEHXJJMZCPZMJ-MNOVXSKESA-N -1 3 382.402 -0.349 20 0 GBADHM COC(=O)[C@H](C[C@H]1CCCO1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571196384 952981637 /nfs/dbraw/zinc/98/16/37/952981637.db2.gz KDEHXJJMZCPZMJ-MNOVXSKESA-N -1 3 382.402 -0.349 20 0 GBADHM COC(=O)[C@H](C[C@@H]1CCCO1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571196386 952981501 /nfs/dbraw/zinc/98/15/01/952981501.db2.gz KDEHXJJMZCPZMJ-QWRGUYRKSA-N -1 3 382.402 -0.349 20 0 GBADHM COC(=O)[C@H](C[C@@H]1CCCO1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571196386 952981497 /nfs/dbraw/zinc/98/14/97/952981497.db2.gz KDEHXJJMZCPZMJ-QWRGUYRKSA-N -1 3 382.402 -0.349 20 0 GBADHM COC(=O)[C@@H](C[C@@H]1CCCO1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571196388 952981998 /nfs/dbraw/zinc/98/19/98/952981998.db2.gz KDEHXJJMZCPZMJ-WDEREUQCSA-N -1 3 382.402 -0.349 20 0 GBADHM COC(=O)[C@@H](C[C@@H]1CCCO1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571196388 952981990 /nfs/dbraw/zinc/98/19/90/952981990.db2.gz KDEHXJJMZCPZMJ-WDEREUQCSA-N -1 3 382.402 -0.349 20 0 GBADHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001571196693 952982765 /nfs/dbraw/zinc/98/27/65/952982765.db2.gz MLCXLOADLYOYRH-GHMZBOCLSA-N -1 3 382.402 -0.455 20 0 GBADHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001571196693 952982759 /nfs/dbraw/zinc/98/27/59/952982759.db2.gz MLCXLOADLYOYRH-GHMZBOCLSA-N -1 3 382.402 -0.455 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001571197104 952986509 /nfs/dbraw/zinc/98/65/09/952986509.db2.gz RXLBUZYUGLNYOE-AWEZNQCLSA-N -1 3 382.402 -0.454 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001571197104 952986507 /nfs/dbraw/zinc/98/65/07/952986507.db2.gz RXLBUZYUGLNYOE-AWEZNQCLSA-N -1 3 382.402 -0.454 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001571197105 952985519 /nfs/dbraw/zinc/98/55/19/952985519.db2.gz RXLBUZYUGLNYOE-CQSZACIVSA-N -1 3 382.402 -0.454 20 0 GBADHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001571197105 952985516 /nfs/dbraw/zinc/98/55/16/952985516.db2.gz RXLBUZYUGLNYOE-CQSZACIVSA-N -1 3 382.402 -0.454 20 0 GBADHM COc1ccc(CNC(=O)N2CCS(=O)(=O)CCO2)cc1-c1nn[n-]n1 ZINC001571197331 952988038 /nfs/dbraw/zinc/98/80/38/952988038.db2.gz WXIXEQINACUDNK-UHFFFAOYSA-N -1 3 382.402 -0.253 20 0 GBADHM COc1ccc(CNC(=O)N2CCS(=O)(=O)CCO2)cc1-c1nnn[n-]1 ZINC001571197331 952988034 /nfs/dbraw/zinc/98/80/34/952988034.db2.gz WXIXEQINACUDNK-UHFFFAOYSA-N -1 3 382.402 -0.253 20 0 GBADHM CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571199050 952996026 /nfs/dbraw/zinc/99/60/26/952996026.db2.gz KQSJCUCDOKVCRG-MJBXVCDLSA-N -1 3 382.428 -0.223 20 0 GBADHM CN1C(=O)CC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571199050 952996024 /nfs/dbraw/zinc/99/60/24/952996024.db2.gz KQSJCUCDOKVCRG-MJBXVCDLSA-N -1 3 382.428 -0.223 20 0 GBADHM C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001571199306 952998922 /nfs/dbraw/zinc/99/89/22/952998922.db2.gz PIOVMDMTGLBINT-VZSAFFHGSA-N -1 3 382.428 -0.175 20 0 GBADHM C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001571199306 952998919 /nfs/dbraw/zinc/99/89/19/952998919.db2.gz PIOVMDMTGLBINT-VZSAFFHGSA-N -1 3 382.428 -0.175 20 0 GBADHM CN1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)CC1=O ZINC001571199559 953001544 /nfs/dbraw/zinc/00/15/44/953001544.db2.gz VEGUYUGWRWYCET-MUYACECFSA-N -1 3 382.428 -0.319 20 0 GBADHM CN1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)CC1=O ZINC001571199559 953001539 /nfs/dbraw/zinc/00/15/39/953001539.db2.gz VEGUYUGWRWYCET-MUYACECFSA-N -1 3 382.428 -0.319 20 0 GBADHM CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)CC1=O ZINC001571199560 953002246 /nfs/dbraw/zinc/00/22/46/953002246.db2.gz VEGUYUGWRWYCET-PBOSXPJTSA-N -1 3 382.428 -0.319 20 0 GBADHM CN1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)CC1=O ZINC001571199560 953002244 /nfs/dbraw/zinc/00/22/44/953002244.db2.gz VEGUYUGWRWYCET-PBOSXPJTSA-N -1 3 382.428 -0.319 20 0 GBADHM CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571199600 953002288 /nfs/dbraw/zinc/00/22/88/953002288.db2.gz WGFPBYNDPMSWFB-FQUUOJAGSA-N -1 3 382.428 -0.319 20 0 GBADHM CN1C(=O)CC[C@H]1C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571199600 953002286 /nfs/dbraw/zinc/00/22/86/953002286.db2.gz WGFPBYNDPMSWFB-FQUUOJAGSA-N -1 3 382.428 -0.319 20 0 GBADHM C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1CN(c1ncccc1-c1nn[n-]n1)C2 ZINC001571199684 953003395 /nfs/dbraw/zinc/00/33/95/953003395.db2.gz ZABGYPCDAGSCTI-YNKQFZHNSA-N -1 3 382.428 -0.175 20 0 GBADHM C[C@]12CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]1CN(c1ncccc1-c1nnn[n-]1)C2 ZINC001571199684 953003392 /nfs/dbraw/zinc/00/33/92/953003392.db2.gz ZABGYPCDAGSCTI-YNKQFZHNSA-N -1 3 382.428 -0.175 20 0 GBADHM CC(=O)N1CC(C(=O)N2C[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]3C2)C1 ZINC001571199995 953006587 /nfs/dbraw/zinc/00/65/87/953006587.db2.gz GQMFWQUKYKSVQZ-OKILXGFUSA-N -1 3 382.428 -0.365 20 0 GBADHM CC(=O)N1CC(C(=O)N2C[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]3C2)C1 ZINC001571199995 953006583 /nfs/dbraw/zinc/00/65/83/953006583.db2.gz GQMFWQUKYKSVQZ-OKILXGFUSA-N -1 3 382.428 -0.365 20 0 GBADHM Cc1cn(C)nc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)C[C@@H]1O ZINC001571200457 953009027 /nfs/dbraw/zinc/00/90/27/953009027.db2.gz CHPVQBQREYZVPH-CABCVRRESA-N -1 3 382.428 -0.116 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001571200808 953011897 /nfs/dbraw/zinc/01/18/97/953011897.db2.gz LYKSJYLMPBSRIH-OAVHHTNSSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001571200808 953011893 /nfs/dbraw/zinc/01/18/93/953011893.db2.gz LYKSJYLMPBSRIH-OAVHHTNSSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001571200810 953012435 /nfs/dbraw/zinc/01/24/35/953012435.db2.gz LYKSJYLMPBSRIH-PZROIBLQSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001571200810 953012431 /nfs/dbraw/zinc/01/24/31/953012431.db2.gz LYKSJYLMPBSRIH-PZROIBLQSA-N -1 3 382.428 -0.033 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001571201051 953014088 /nfs/dbraw/zinc/01/40/88/953014088.db2.gz IYOVPSLUEAKHND-AGIUHOORSA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)NC2)n1 ZINC001571201051 953014084 /nfs/dbraw/zinc/01/40/84/953014084.db2.gz IYOVPSLUEAKHND-AGIUHOORSA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)NC2)n1 ZINC001571201052 953013735 /nfs/dbraw/zinc/01/37/35/953013735.db2.gz IYOVPSLUEAKHND-AVGNSLFASA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)NC2)n1 ZINC001571201052 953013731 /nfs/dbraw/zinc/01/37/31/953013731.db2.gz IYOVPSLUEAKHND-AVGNSLFASA-N -1 3 382.428 -0.114 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)[C@]1(F)CCOC1 ZINC001571201121 953014757 /nfs/dbraw/zinc/01/47/57/953014757.db2.gz MZUTXGLHOKXESP-HFAKWTLXSA-N -1 3 382.421 -0.282 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)[C@]1(F)CCOC1 ZINC001571201121 953014751 /nfs/dbraw/zinc/01/47/51/953014751.db2.gz MZUTXGLHOKXESP-HFAKWTLXSA-N -1 3 382.421 -0.282 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)[C@@]1(F)CCOC1 ZINC001571201122 953015149 /nfs/dbraw/zinc/01/51/49/953015149.db2.gz MZUTXGLHOKXESP-UEKVPHQBSA-N -1 3 382.421 -0.282 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)[C@@]1(F)CCOC1 ZINC001571201122 953015146 /nfs/dbraw/zinc/01/51/46/953015146.db2.gz MZUTXGLHOKXESP-UEKVPHQBSA-N -1 3 382.421 -0.282 20 0 GBADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001571201413 953017437 /nfs/dbraw/zinc/01/74/37/953017437.db2.gz PUTAVPXRFJSRFO-GJXHKJHSSA-N -1 3 382.428 -0.273 20 0 GBADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001571201413 953017431 /nfs/dbraw/zinc/01/74/31/953017431.db2.gz PUTAVPXRFJSRFO-GJXHKJHSSA-N -1 3 382.428 -0.273 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001571201415 953017101 /nfs/dbraw/zinc/01/71/01/953017101.db2.gz PUTAVPXRFJSRFO-HMXKMONRSA-N -1 3 382.428 -0.273 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)[C@H]1CCC(=O)N1 ZINC001571201415 953017097 /nfs/dbraw/zinc/01/70/97/953017097.db2.gz PUTAVPXRFJSRFO-HMXKMONRSA-N -1 3 382.428 -0.273 20 0 GBADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001571201417 953017720 /nfs/dbraw/zinc/01/77/20/953017720.db2.gz PUTAVPXRFJSRFO-SXBWXJKFSA-N -1 3 382.428 -0.273 20 0 GBADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001571201417 953017715 /nfs/dbraw/zinc/01/77/15/953017715.db2.gz PUTAVPXRFJSRFO-SXBWXJKFSA-N -1 3 382.428 -0.273 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001571201420 953017291 /nfs/dbraw/zinc/01/72/91/953017291.db2.gz PUTAVPXRFJSRFO-VMOJWTJYSA-N -1 3 382.428 -0.273 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)[C@@H]1CCC(=O)N1 ZINC001571201420 953017289 /nfs/dbraw/zinc/01/72/89/953017289.db2.gz PUTAVPXRFJSRFO-VMOJWTJYSA-N -1 3 382.428 -0.273 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001571201972 953021721 /nfs/dbraw/zinc/02/17/21/953021721.db2.gz UFPHORYYIUERTN-OAVHHTNSSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001571201972 953021718 /nfs/dbraw/zinc/02/17/18/953021718.db2.gz UFPHORYYIUERTN-OAVHHTNSSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nn[n-]n2)CCNC(=O)C1 ZINC001571201976 953022181 /nfs/dbraw/zinc/02/21/81/953022181.db2.gz UFPHORYYIUERTN-PZROIBLQSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nnn[n-]2)CCNC(=O)C1 ZINC001571201976 953022176 /nfs/dbraw/zinc/02/21/76/953022176.db2.gz UFPHORYYIUERTN-PZROIBLQSA-N -1 3 382.428 -0.033 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001571202056 953021907 /nfs/dbraw/zinc/02/19/07/953021907.db2.gz QJVQWZRUTQROTE-AGIUHOORSA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCNC(=O)C2)n1 ZINC001571202056 953021903 /nfs/dbraw/zinc/02/19/03/953021903.db2.gz QJVQWZRUTQROTE-AGIUHOORSA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCNC(=O)C2)n1 ZINC001571202061 953022110 /nfs/dbraw/zinc/02/21/10/953022110.db2.gz QJVQWZRUTQROTE-AVGNSLFASA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCNC(=O)C2)n1 ZINC001571202061 953022106 /nfs/dbraw/zinc/02/21/06/953022106.db2.gz QJVQWZRUTQROTE-AVGNSLFASA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C3)ccc1-c1nn[n-]n1 ZINC001571204590 953029911 /nfs/dbraw/zinc/02/99/11/953029911.db2.gz AIMDHAYXDCJJBC-LPUQOGTASA-N -1 3 382.428 -0.083 20 0 GBADHM Cc1nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C3)ccc1-c1nnn[n-]1 ZINC001571204590 953029909 /nfs/dbraw/zinc/02/99/09/953029909.db2.gz AIMDHAYXDCJJBC-LPUQOGTASA-N -1 3 382.428 -0.083 20 0 GBADHM O=C(CN1CCCCC1=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571204640 953031160 /nfs/dbraw/zinc/03/11/60/953031160.db2.gz ATRBUTLEOBZIFX-VIKVFOODSA-N -1 3 382.428 -0.175 20 0 GBADHM O=C(CN1CCCCC1=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571204640 953031156 /nfs/dbraw/zinc/03/11/56/953031156.db2.gz ATRBUTLEOBZIFX-VIKVFOODSA-N -1 3 382.428 -0.175 20 0 GBADHM O=C([C@@H]1CCC(=O)N1)N1CCC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571204667 953031563 /nfs/dbraw/zinc/03/15/63/953031563.db2.gz BHJHUHCKGQKLOY-FPMFFAJLSA-N -1 3 382.428 -0.033 20 0 GBADHM O=C([C@@H]1CCC(=O)N1)N1CCC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571204667 953031557 /nfs/dbraw/zinc/03/15/57/953031557.db2.gz BHJHUHCKGQKLOY-FPMFFAJLSA-N -1 3 382.428 -0.033 20 0 GBADHM O=C(CN1CCCC1=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571204703 953032944 /nfs/dbraw/zinc/03/29/44/953032944.db2.gz CFWDPCYZLRAUGO-GXTWGEPZSA-N -1 3 382.428 -0.079 20 0 GBADHM O=C(CN1CCCC1=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571204703 953032938 /nfs/dbraw/zinc/03/29/38/953032938.db2.gz CFWDPCYZLRAUGO-GXTWGEPZSA-N -1 3 382.428 -0.079 20 0 GBADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001571204923 953033526 /nfs/dbraw/zinc/03/35/26/953033526.db2.gz DCUOTRWBUJACCY-WVWOOGAGSA-N -1 3 382.428 -0.047 20 0 GBADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001571204923 953033522 /nfs/dbraw/zinc/03/35/22/953033522.db2.gz DCUOTRWBUJACCY-WVWOOGAGSA-N -1 3 382.428 -0.047 20 0 GBADHM O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571204986 953035384 /nfs/dbraw/zinc/03/53/84/953035384.db2.gz FDKZEZPWZGAVKZ-CNXAATOLSA-N -1 3 382.428 -0.271 20 0 GBADHM O=C(C[C@@H]1CCC(=O)NC1)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571204986 953035375 /nfs/dbraw/zinc/03/53/75/953035375.db2.gz FDKZEZPWZGAVKZ-CNXAATOLSA-N -1 3 382.428 -0.271 20 0 GBADHM O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571204988 953034470 /nfs/dbraw/zinc/03/44/70/953034470.db2.gz FDKZEZPWZGAVKZ-KBNOKHGBSA-N -1 3 382.428 -0.271 20 0 GBADHM O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571204988 953034465 /nfs/dbraw/zinc/03/44/65/953034465.db2.gz FDKZEZPWZGAVKZ-KBNOKHGBSA-N -1 3 382.428 -0.271 20 0 GBADHM O=C([C@@H]1CCC(=O)NC1)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571204993 953034325 /nfs/dbraw/zinc/03/43/25/953034325.db2.gz FGMQNGTZGWVMFO-MCIONIFRSA-N -1 3 382.428 -0.318 20 0 GBADHM O=C([C@@H]1CCC(=O)NC1)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571204993 953034319 /nfs/dbraw/zinc/03/43/19/953034319.db2.gz FGMQNGTZGWVMFO-MCIONIFRSA-N -1 3 382.428 -0.318 20 0 GBADHM O=C([C@H]1CCC(=O)NC1)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571205001 953035422 /nfs/dbraw/zinc/03/54/22/953035422.db2.gz FGMQNGTZGWVMFO-MELADBBJSA-N -1 3 382.428 -0.318 20 0 GBADHM O=C([C@H]1CCC(=O)NC1)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571205001 953035418 /nfs/dbraw/zinc/03/54/18/953035418.db2.gz FGMQNGTZGWVMFO-MELADBBJSA-N -1 3 382.428 -0.318 20 0 GBADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571205399 953037947 /nfs/dbraw/zinc/03/79/47/953037947.db2.gz JGBKLLYQKYELAE-FHSNZYRGSA-N -1 3 382.428 -0.188 20 0 GBADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571205399 953037943 /nfs/dbraw/zinc/03/79/43/953037943.db2.gz JGBKLLYQKYELAE-FHSNZYRGSA-N -1 3 382.428 -0.188 20 0 GBADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(CCN(c3ncccc3-c3nn[n-]n3)C2)C1 ZINC001571205400 953037753 /nfs/dbraw/zinc/03/77/53/953037753.db2.gz JGBKLLYQKYELAE-VBHSOAQHSA-N -1 3 382.428 -0.188 20 0 GBADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(CCN(c3ncccc3-c3nnn[n-]3)C2)C1 ZINC001571205400 953037750 /nfs/dbraw/zinc/03/77/50/953037750.db2.gz JGBKLLYQKYELAE-VBHSOAQHSA-N -1 3 382.428 -0.188 20 0 GBADHM NC(=O)[C@H]1CC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571205401 953038394 /nfs/dbraw/zinc/03/83/94/953038394.db2.gz JINHUYWNCDXCJK-CRWXNKLISA-N -1 3 382.428 -0.332 20 0 GBADHM NC(=O)[C@H]1CC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571205401 953038391 /nfs/dbraw/zinc/03/83/91/953038391.db2.gz JINHUYWNCDXCJK-CRWXNKLISA-N -1 3 382.428 -0.332 20 0 GBADHM NC(=O)[C@H]1CC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571205402 953038112 /nfs/dbraw/zinc/03/81/12/953038112.db2.gz JINHUYWNCDXCJK-RFQIPJPRSA-N -1 3 382.428 -0.332 20 0 GBADHM NC(=O)[C@H]1CC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571205402 953038109 /nfs/dbraw/zinc/03/81/09/953038109.db2.gz JINHUYWNCDXCJK-RFQIPJPRSA-N -1 3 382.428 -0.332 20 0 GBADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571205403 953037801 /nfs/dbraw/zinc/03/78/01/953037801.db2.gz JINHUYWNCDXCJK-RQJABVFESA-N -1 3 382.428 -0.332 20 0 GBADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571205403 953037795 /nfs/dbraw/zinc/03/77/95/953037795.db2.gz JINHUYWNCDXCJK-RQJABVFESA-N -1 3 382.428 -0.332 20 0 GBADHM NC(=O)[C@@H]1CC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571205404 953037913 /nfs/dbraw/zinc/03/79/13/953037913.db2.gz JINHUYWNCDXCJK-XJFOESAGSA-N -1 3 382.428 -0.332 20 0 GBADHM NC(=O)[C@@H]1CC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571205404 953037908 /nfs/dbraw/zinc/03/79/08/953037908.db2.gz JINHUYWNCDXCJK-XJFOESAGSA-N -1 3 382.428 -0.332 20 0 GBADHM C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206065 953046362 /nfs/dbraw/zinc/04/63/62/953046362.db2.gz RJRONMHWHWKXTG-NEPJUHHUSA-N -1 3 382.432 -0.059 20 0 GBADHM C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206066 953046491 /nfs/dbraw/zinc/04/64/91/953046491.db2.gz RJRONMHWHWKXTG-NWDGAFQWSA-N -1 3 382.432 -0.059 20 0 GBADHM C[C@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206067 953045912 /nfs/dbraw/zinc/04/59/12/953045912.db2.gz RJRONMHWHWKXTG-RYUDHWBXSA-N -1 3 382.432 -0.059 20 0 GBADHM C[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571206069 953046336 /nfs/dbraw/zinc/04/63/36/953046336.db2.gz RJRONMHWHWKXTG-VXGBXAGGSA-N -1 3 382.432 -0.059 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)[C@H]1CCNC(=O)C1 ZINC001571206120 953047384 /nfs/dbraw/zinc/04/73/84/953047384.db2.gz MNAXJUNKBAHIFL-DOERSZECSA-N -1 3 382.428 -0.414 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)[C@H]1CCNC(=O)C1 ZINC001571206120 953047381 /nfs/dbraw/zinc/04/73/81/953047381.db2.gz MNAXJUNKBAHIFL-DOERSZECSA-N -1 3 382.428 -0.414 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)[C@@H]1CCNC(=O)C1 ZINC001571206137 953047548 /nfs/dbraw/zinc/04/75/48/953047548.db2.gz MNAXJUNKBAHIFL-ZRJCITRHSA-N -1 3 382.428 -0.414 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)[C@@H]1CCNC(=O)C1 ZINC001571206137 953047546 /nfs/dbraw/zinc/04/75/46/953047546.db2.gz MNAXJUNKBAHIFL-ZRJCITRHSA-N -1 3 382.428 -0.414 20 0 GBADHM O=C(C[C@@H]1CCNC1=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571206263 953049335 /nfs/dbraw/zinc/04/93/35/953049335.db2.gz OAROWLSRXSNJIY-RWMBFGLXSA-N -1 3 382.428 -0.318 20 0 GBADHM O=C(C[C@@H]1CCNC1=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571206263 953049334 /nfs/dbraw/zinc/04/93/34/953049334.db2.gz OAROWLSRXSNJIY-RWMBFGLXSA-N -1 3 382.428 -0.318 20 0 GBADHM O=C(C[C@H]1CCNC1=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571206266 953048883 /nfs/dbraw/zinc/04/88/83/953048883.db2.gz OAROWLSRXSNJIY-UPJWGTAASA-N -1 3 382.428 -0.318 20 0 GBADHM O=C(C[C@H]1CCNC1=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571206266 953048881 /nfs/dbraw/zinc/04/88/81/953048881.db2.gz OAROWLSRXSNJIY-UPJWGTAASA-N -1 3 382.428 -0.318 20 0 GBADHM O=C([C@H]1CCNC(=O)C1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571206363 953050377 /nfs/dbraw/zinc/05/03/77/953050377.db2.gz OVJAGBBKHBAPGN-FPMFFAJLSA-N -1 3 382.428 -0.175 20 0 GBADHM O=C([C@H]1CCNC(=O)C1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571206363 953050376 /nfs/dbraw/zinc/05/03/76/953050376.db2.gz OVJAGBBKHBAPGN-FPMFFAJLSA-N -1 3 382.428 -0.175 20 0 GBADHM O=C([C@@H]1CCNC(=O)C1)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571206365 953050230 /nfs/dbraw/zinc/05/02/30/953050230.db2.gz OVJAGBBKHBAPGN-KWCYVHTRSA-N -1 3 382.428 -0.175 20 0 GBADHM O=C([C@@H]1CCNC(=O)C1)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571206365 953050226 /nfs/dbraw/zinc/05/02/26/953050226.db2.gz OVJAGBBKHBAPGN-KWCYVHTRSA-N -1 3 382.428 -0.175 20 0 GBADHM O=C([C@H]1CCNC(=O)C1)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001571206422 953050830 /nfs/dbraw/zinc/05/08/30/953050830.db2.gz PEACRPDDMTVLPL-RWMBFGLXSA-N -1 3 382.428 -0.033 20 0 GBADHM O=C([C@H]1CCNC(=O)C1)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001571206422 953050827 /nfs/dbraw/zinc/05/08/27/953050827.db2.gz PEACRPDDMTVLPL-RWMBFGLXSA-N -1 3 382.428 -0.033 20 0 GBADHM O=C([C@@H]1CCNC(=O)C1)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001571206424 953050733 /nfs/dbraw/zinc/05/07/33/953050733.db2.gz PEACRPDDMTVLPL-UPJWGTAASA-N -1 3 382.428 -0.033 20 0 GBADHM O=C([C@@H]1CCNC(=O)C1)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001571206424 953050728 /nfs/dbraw/zinc/05/07/28/953050728.db2.gz PEACRPDDMTVLPL-UPJWGTAASA-N -1 3 382.428 -0.033 20 0 GBADHM O=C(CN1CCCC1=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001571206481 953051629 /nfs/dbraw/zinc/05/16/29/953051629.db2.gz QAUFHOUIAIGVEV-SWLSCSKDSA-N -1 3 382.428 -0.079 20 0 GBADHM O=C(CN1CCCC1=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001571206481 953051625 /nfs/dbraw/zinc/05/16/25/953051625.db2.gz QAUFHOUIAIGVEV-SWLSCSKDSA-N -1 3 382.428 -0.079 20 0 GBADHM O=C([C@H]1CCNC(=O)CC1)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001571206592 953053109 /nfs/dbraw/zinc/05/31/09/953053109.db2.gz RIISHWMFFQQNKP-AGIUHOORSA-N -1 3 382.428 -0.033 20 0 GBADHM O=C([C@H]1CCNC(=O)CC1)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001571206592 953053108 /nfs/dbraw/zinc/05/31/08/953053108.db2.gz RIISHWMFFQQNKP-AGIUHOORSA-N -1 3 382.428 -0.033 20 0 GBADHM O=C([C@@H]1CCNC(=O)CC1)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001571206593 953052602 /nfs/dbraw/zinc/05/26/02/953052602.db2.gz RIISHWMFFQQNKP-AVGNSLFASA-N -1 3 382.428 -0.033 20 0 GBADHM O=C([C@@H]1CCNC(=O)CC1)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001571206593 953052600 /nfs/dbraw/zinc/05/26/00/953052600.db2.gz RIISHWMFFQQNKP-AVGNSLFASA-N -1 3 382.428 -0.033 20 0 GBADHM CCn1nc(C)c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571206641 953054421 /nfs/dbraw/zinc/05/44/21/953054421.db2.gz IVWBNZICDMVJTL-JYAVWHMHSA-N -1 3 382.432 -0.025 20 0 GBADHM CCn1nc(C)c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571206641 953054415 /nfs/dbraw/zinc/05/44/15/953054415.db2.gz IVWBNZICDMVJTL-JYAVWHMHSA-N -1 3 382.432 -0.025 20 0 GBADHM CCn1nc(C)c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571206792 953055576 /nfs/dbraw/zinc/05/55/76/953055576.db2.gz KRUSCQPOBHDEHX-HBYGRHMLSA-N -1 3 382.432 -0.025 20 0 GBADHM CCn1nc(C)c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571206792 953055574 /nfs/dbraw/zinc/05/55/74/953055574.db2.gz KRUSCQPOBHDEHX-HBYGRHMLSA-N -1 3 382.432 -0.025 20 0 GBADHM Cc1cc(-c2nnn[n-]2)nc(N2CCCN(C(=O)Cc3cncn3C)CC2)n1 ZINC001571206863 953055857 /nfs/dbraw/zinc/05/58/57/953055857.db2.gz LLEBCGVJTOCOND-UHFFFAOYSA-N -1 3 382.432 -0.020 20 0 GBADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)NC2)ccc1-c1nn[n-]n1 ZINC001571206885 953057132 /nfs/dbraw/zinc/05/71/32/953057132.db2.gz SIDOLDIDHXJYGD-AGIUHOORSA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC(=O)NC2)ccc1-c1nnn[n-]1 ZINC001571206885 953057130 /nfs/dbraw/zinc/05/71/30/953057130.db2.gz SIDOLDIDHXJYGD-AGIUHOORSA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)NC2)ccc1-c1nn[n-]n1 ZINC001571206887 953057316 /nfs/dbraw/zinc/05/73/16/953057316.db2.gz SIDOLDIDHXJYGD-AVGNSLFASA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC(=O)NC2)ccc1-c1nnn[n-]1 ZINC001571206887 953057314 /nfs/dbraw/zinc/05/73/14/953057314.db2.gz SIDOLDIDHXJYGD-AVGNSLFASA-N -1 3 382.428 -0.114 20 0 GBADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571206918 953056887 /nfs/dbraw/zinc/05/68/87/953056887.db2.gz SZWBMIXFMRHHEN-RQJABVFESA-N -1 3 382.428 -0.047 20 0 GBADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571206918 953056884 /nfs/dbraw/zinc/05/68/84/953056884.db2.gz SZWBMIXFMRHHEN-RQJABVFESA-N -1 3 382.428 -0.047 20 0 GBADHM O=C([C@@H]1CCC(=O)N1)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001571206956 953058178 /nfs/dbraw/zinc/05/81/78/953058178.db2.gz UTPUKYVAZSXQLU-RDBSUJKOSA-N -1 3 382.428 -0.175 20 0 GBADHM O=C([C@@H]1CCC(=O)N1)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001571206956 953058175 /nfs/dbraw/zinc/05/81/75/953058175.db2.gz UTPUKYVAZSXQLU-RDBSUJKOSA-N -1 3 382.428 -0.175 20 0 GBADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571207155 953059841 /nfs/dbraw/zinc/05/98/41/953059841.db2.gz WIRMAHRGEFZKNR-FHSNZYRGSA-N -1 3 382.428 -0.188 20 0 GBADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571207155 953059839 /nfs/dbraw/zinc/05/98/39/953059839.db2.gz WIRMAHRGEFZKNR-FHSNZYRGSA-N -1 3 382.428 -0.188 20 0 GBADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001571207156 953060004 /nfs/dbraw/zinc/06/00/04/953060004.db2.gz WIRMAHRGEFZKNR-VBHSOAQHSA-N -1 3 382.428 -0.188 20 0 GBADHM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001571207156 953060000 /nfs/dbraw/zinc/06/00/00/953060000.db2.gz WIRMAHRGEFZKNR-VBHSOAQHSA-N -1 3 382.428 -0.188 20 0 GBADHM C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571207180 953060354 /nfs/dbraw/zinc/06/03/54/953060354.db2.gz OKZUZSVKTDVNFU-VXGBXAGGSA-N -1 3 382.432 -0.059 20 0 GBADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCNC(=O)C2)ccc1-c1nn[n-]n1 ZINC001571207367 953062635 /nfs/dbraw/zinc/06/26/35/953062635.db2.gz YTFQEKFVSPFUBW-AGIUHOORSA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCNC(=O)C2)ccc1-c1nnn[n-]1 ZINC001571207367 953062629 /nfs/dbraw/zinc/06/26/29/953062629.db2.gz YTFQEKFVSPFUBW-AGIUHOORSA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCNC(=O)C2)ccc1-c1nn[n-]n1 ZINC001571207368 953063083 /nfs/dbraw/zinc/06/30/83/953063083.db2.gz YTFQEKFVSPFUBW-AVGNSLFASA-N -1 3 382.428 -0.114 20 0 GBADHM Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCNC(=O)C2)ccc1-c1nnn[n-]1 ZINC001571207368 953063080 /nfs/dbraw/zinc/06/30/80/953063080.db2.gz YTFQEKFVSPFUBW-AVGNSLFASA-N -1 3 382.428 -0.114 20 0 GBADHM O=C([C@H]1CCC(=O)N1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571207377 953062647 /nfs/dbraw/zinc/06/26/47/953062647.db2.gz YZPIKJJEKXKKGS-ACJLOTCBSA-N -1 3 382.428 -0.031 20 0 GBADHM O=C([C@H]1CCC(=O)N1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571207377 953062643 /nfs/dbraw/zinc/06/26/43/953062643.db2.gz YZPIKJJEKXKKGS-ACJLOTCBSA-N -1 3 382.428 -0.031 20 0 GBADHM O=C([C@H]1CCC(=O)N1)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571207378 953063006 /nfs/dbraw/zinc/06/30/06/953063006.db2.gz YZPIKJJEKXKKGS-FZKQIMNGSA-N -1 3 382.428 -0.031 20 0 GBADHM O=C([C@H]1CCC(=O)N1)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571207378 953063003 /nfs/dbraw/zinc/06/30/03/953063003.db2.gz YZPIKJJEKXKKGS-FZKQIMNGSA-N -1 3 382.428 -0.031 20 0 GBADHM CCS(=O)(=O)N(C)CC(=O)N(C)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001571209683 953066259 /nfs/dbraw/zinc/06/62/59/953066259.db2.gz AWIADMBCLURHDQ-CYBMUJFWSA-N -1 3 382.446 -0.360 20 0 GBADHM CCS(=O)(=O)N(C)CC(=O)N(C)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001571209683 953066257 /nfs/dbraw/zinc/06/62/57/953066257.db2.gz AWIADMBCLURHDQ-CYBMUJFWSA-N -1 3 382.446 -0.360 20 0 GBADHM CCS(=O)(=O)N(C)CC(=O)N(C)C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001571209684 953066343 /nfs/dbraw/zinc/06/63/43/953066343.db2.gz AWIADMBCLURHDQ-ZDUSSCGKSA-N -1 3 382.446 -0.360 20 0 GBADHM CCS(=O)(=O)N(C)CC(=O)N(C)C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001571209684 953066342 /nfs/dbraw/zinc/06/63/42/953066342.db2.gz AWIADMBCLURHDQ-ZDUSSCGKSA-N -1 3 382.446 -0.360 20 0 GBADHM CC(C)(C)NS(=O)(=O)CCNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001571209769 953067217 /nfs/dbraw/zinc/06/72/17/953067217.db2.gz DDMFUETVQHRPGF-UHFFFAOYSA-N -1 3 382.450 -0.492 20 0 GBADHM CC(C)(C)NS(=O)(=O)CCNC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001571209769 953067214 /nfs/dbraw/zinc/06/72/14/953067214.db2.gz DDMFUETVQHRPGF-UHFFFAOYSA-N -1 3 382.450 -0.492 20 0 GBADHM Cc1cccc(S(=O)(=O)NC[C@]2(CO)COCCN2C)c1-c1nn[n-]n1 ZINC001571209824 953068002 /nfs/dbraw/zinc/06/80/02/953068002.db2.gz FTSZMCQBOFHTQC-HNNXBMFYSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1cccc(S(=O)(=O)NC[C@]2(CO)COCCN2C)c1-c1nnn[n-]1 ZINC001571209824 953068000 /nfs/dbraw/zinc/06/80/00/953068000.db2.gz FTSZMCQBOFHTQC-HNNXBMFYSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1cccc(S(=O)(=O)NC[C@@]2(CO)COCCN2C)c1-c1nn[n-]n1 ZINC001571209825 953067675 /nfs/dbraw/zinc/06/76/75/953067675.db2.gz FTSZMCQBOFHTQC-OAHLLOKOSA-N -1 3 382.446 -0.853 20 0 GBADHM Cc1cccc(S(=O)(=O)NC[C@@]2(CO)COCCN2C)c1-c1nnn[n-]1 ZINC001571209825 953067670 /nfs/dbraw/zinc/06/76/70/953067670.db2.gz FTSZMCQBOFHTQC-OAHLLOKOSA-N -1 3 382.446 -0.853 20 0 GBADHM COC[C@@]1(CO)CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571209839 953067710 /nfs/dbraw/zinc/06/77/10/953067710.db2.gz GILJIECSQMHNMG-HNNXBMFYSA-N -1 3 382.446 -0.634 20 0 GBADHM COC[C@@]1(CO)CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571209839 953067706 /nfs/dbraw/zinc/06/77/06/953067706.db2.gz GILJIECSQMHNMG-HNNXBMFYSA-N -1 3 382.446 -0.634 20 0 GBADHM COC[C@]1(CO)CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571209840 953068172 /nfs/dbraw/zinc/06/81/72/953068172.db2.gz GILJIECSQMHNMG-OAHLLOKOSA-N -1 3 382.446 -0.634 20 0 GBADHM COC[C@]1(CO)CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571209840 953068169 /nfs/dbraw/zinc/06/81/69/953068169.db2.gz GILJIECSQMHNMG-OAHLLOKOSA-N -1 3 382.446 -0.634 20 0 GBADHM O=S(=O)(c1cncc(-c2nn[n-]n2)c1)N1CCC(CCO)(CCO)CC1 ZINC001571210342 953071730 /nfs/dbraw/zinc/07/17/30/953071730.db2.gz PGXFDDULLNVDIN-UHFFFAOYSA-N -1 3 382.446 -0.203 20 0 GBADHM O=S(=O)(c1cncc(-c2nnn[n-]2)c1)N1CCC(CCO)(CCO)CC1 ZINC001571210342 953071728 /nfs/dbraw/zinc/07/17/28/953071728.db2.gz PGXFDDULLNVDIN-UHFFFAOYSA-N -1 3 382.446 -0.203 20 0 GBADHM CCC[C@H](CCO)NC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571210576 953073262 /nfs/dbraw/zinc/07/32/62/953073262.db2.gz SSZCOFXPKBKGEM-GFCCVEGCSA-N -1 3 382.446 -0.188 20 0 GBADHM CCC[C@H](CCO)NC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571210576 953073256 /nfs/dbraw/zinc/07/32/56/953073256.db2.gz SSZCOFXPKBKGEM-GFCCVEGCSA-N -1 3 382.446 -0.188 20 0 GBADHM CCC[C@@H](CCO)NC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001571210577 953073344 /nfs/dbraw/zinc/07/33/44/953073344.db2.gz SSZCOFXPKBKGEM-LBPRGKRZSA-N -1 3 382.446 -0.188 20 0 GBADHM CCC[C@@H](CCO)NC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001571210577 953073340 /nfs/dbraw/zinc/07/33/40/953073340.db2.gz SSZCOFXPKBKGEM-LBPRGKRZSA-N -1 3 382.446 -0.188 20 0 GBADHM Cn1cnnc1CN1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001571211413 953076046 /nfs/dbraw/zinc/07/60/46/953076046.db2.gz AFLIPWPQOHQQBO-YPMHNXCESA-N -1 3 382.432 -0.083 20 0 GBADHM Cn1cnnc1CN1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001571211413 953076038 /nfs/dbraw/zinc/07/60/38/953076038.db2.gz AFLIPWPQOHQQBO-YPMHNXCESA-N -1 3 382.432 -0.083 20 0 GBADHM Cn1cncc1CC(=O)N[C@@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001571212327 953086784 /nfs/dbraw/zinc/08/67/84/953086784.db2.gz LPWGMXYOBUOKET-CYBMUJFWSA-N -1 3 382.432 -0.036 20 0 GBADHM Cn1cncc1CC(=O)N[C@H]1CN(c2cnc(-c3nnn[n-]3)cn2)CC1(C)C ZINC001571212328 953087068 /nfs/dbraw/zinc/08/70/68/953087068.db2.gz LPWGMXYOBUOKET-ZDUSSCGKSA-N -1 3 382.432 -0.036 20 0 GBADHM Cn1cc(CN2C[C@@H]3CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@]3(C)C2)nn1 ZINC001571212351 953086953 /nfs/dbraw/zinc/08/69/53/953086953.db2.gz MDTYJSXGVRGMDO-PXAZEXFGSA-N -1 3 382.432 -0.083 20 0 GBADHM Cn1cc(CN2C[C@@H]3CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@]3(C)C2)nn1 ZINC001571212351 953086948 /nfs/dbraw/zinc/08/69/48/953086948.db2.gz MDTYJSXGVRGMDO-PXAZEXFGSA-N -1 3 382.432 -0.083 20 0 GBADHM Cc1nc(N2CCN(C(=O)CCc3cn(C)nn3)CC2)ccc1-c1nn[n-]n1 ZINC001571213826 953097200 /nfs/dbraw/zinc/09/72/00/953097200.db2.gz XFKYMOINWQJULS-UHFFFAOYSA-N -1 3 382.432 -0.020 20 0 GBADHM Cc1nc(N2CCN(C(=O)CCc3cn(C)nn3)CC2)ccc1-c1nnn[n-]1 ZINC001571213826 953097194 /nfs/dbraw/zinc/09/71/94/953097194.db2.gz XFKYMOINWQJULS-UHFFFAOYSA-N -1 3 382.432 -0.020 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)c1ncccn1 ZINC001571216628 953102376 /nfs/dbraw/zinc/10/23/76/953102376.db2.gz ACZOCSOGSJUMMD-VXGBXAGGSA-N -1 3 383.372 -0.746 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)c1ncccn1 ZINC001571216628 953102371 /nfs/dbraw/zinc/10/23/71/953102371.db2.gz ACZOCSOGSJUMMD-VXGBXAGGSA-N -1 3 383.372 -0.746 20 0 GBADHM COc1ncc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571216630 953102863 /nfs/dbraw/zinc/10/28/63/953102863.db2.gz AFPOEZJGQSSFHC-LLVKDONJSA-N -1 3 383.372 -0.362 20 0 GBADHM COc1ncc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571216630 953102860 /nfs/dbraw/zinc/10/28/60/953102860.db2.gz AFPOEZJGQSSFHC-LLVKDONJSA-N -1 3 383.372 -0.362 20 0 GBADHM O=C(c1ccc(=O)[nH]n1)N1CCO[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571216695 953103756 /nfs/dbraw/zinc/10/37/56/953103756.db2.gz BTQKOOHXHRPERW-JTQLQIEISA-N -1 3 383.372 -0.290 20 0 GBADHM O=C(c1ccc(=O)[nH]n1)N1CCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571216695 953103753 /nfs/dbraw/zinc/10/37/53/953103753.db2.gz BTQKOOHXHRPERW-JTQLQIEISA-N -1 3 383.372 -0.290 20 0 GBADHM O=C(c1ccc(=O)[nH]n1)N1CCO[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571216696 953103824 /nfs/dbraw/zinc/10/38/24/953103824.db2.gz BTQKOOHXHRPERW-SNVBAGLBSA-N -1 3 383.372 -0.290 20 0 GBADHM O=C(c1ccc(=O)[nH]n1)N1CCO[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571216696 953103821 /nfs/dbraw/zinc/10/38/21/953103821.db2.gz BTQKOOHXHRPERW-SNVBAGLBSA-N -1 3 383.372 -0.290 20 0 GBADHM CN(C(=O)c1c[nH]c(=O)cn1)C1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571216849 953104734 /nfs/dbraw/zinc/10/47/34/953104734.db2.gz AVUPSOFFLAMYAH-UHFFFAOYSA-N -1 3 383.372 -0.689 20 0 GBADHM CN(C(=O)c1c[nH]c(=O)cn1)C1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571216849 953104731 /nfs/dbraw/zinc/10/47/31/953104731.db2.gz AVUPSOFFLAMYAH-UHFFFAOYSA-N -1 3 383.372 -0.689 20 0 GBADHM COC(=O)c1cnc(N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)nc1 ZINC001571216969 953105554 /nfs/dbraw/zinc/10/55/54/953105554.db2.gz DPJRGOVZOITXOA-UHFFFAOYSA-N -1 3 383.372 -0.266 20 0 GBADHM COC(=O)c1cnc(N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)nc1 ZINC001571216969 953105551 /nfs/dbraw/zinc/10/55/51/953105551.db2.gz DPJRGOVZOITXOA-UHFFFAOYSA-N -1 3 383.372 -0.266 20 0 GBADHM COc1ncc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571217025 953105731 /nfs/dbraw/zinc/10/57/31/953105731.db2.gz FBXDHYPOWHOFQS-JTQLQIEISA-N -1 3 383.372 -0.362 20 0 GBADHM COc1ncc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571217025 953105730 /nfs/dbraw/zinc/10/57/30/953105730.db2.gz FBXDHYPOWHOFQS-JTQLQIEISA-N -1 3 383.372 -0.362 20 0 GBADHM CO[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NC(=O)c1cncnc1 ZINC001571217035 953105517 /nfs/dbraw/zinc/10/55/17/953105517.db2.gz FIGNUGPJLPOJDK-CHWSQXEVSA-N -1 3 383.372 -0.746 20 0 GBADHM CO[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NC(=O)c1cncnc1 ZINC001571217035 953105515 /nfs/dbraw/zinc/10/55/15/953105515.db2.gz FIGNUGPJLPOJDK-CHWSQXEVSA-N -1 3 383.372 -0.746 20 0 GBADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001571217059 953105252 /nfs/dbraw/zinc/10/52/52/953105252.db2.gz FXZVIVMQSHWVLJ-GHMZBOCLSA-N -1 3 383.386 -0.919 20 0 GBADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H]1COCC[C@H]1O ZINC001571217059 953105249 /nfs/dbraw/zinc/10/52/49/953105249.db2.gz FXZVIVMQSHWVLJ-GHMZBOCLSA-N -1 3 383.386 -0.919 20 0 GBADHM Cn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)c(=O)[nH]c1=O ZINC001571217107 953106180 /nfs/dbraw/zinc/10/61/80/953106180.db2.gz GUSBKPOPHLIKHU-VIFPVBQESA-N -1 3 383.372 -0.930 20 0 GBADHM Cn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)c(=O)[nH]c1=O ZINC001571217107 953106177 /nfs/dbraw/zinc/10/61/77/953106177.db2.gz GUSBKPOPHLIKHU-VIFPVBQESA-N -1 3 383.372 -0.930 20 0 GBADHM COc1cnc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nc1 ZINC001571217108 953106574 /nfs/dbraw/zinc/10/65/74/953106574.db2.gz GXVFYLOMLRDVDK-KYZUINATSA-N -1 3 383.372 -0.316 20 0 GBADHM COc1cnc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nc1 ZINC001571217108 953106573 /nfs/dbraw/zinc/10/65/73/953106573.db2.gz GXVFYLOMLRDVDK-KYZUINATSA-N -1 3 383.372 -0.316 20 0 GBADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001571217118 953106190 /nfs/dbraw/zinc/10/61/90/953106190.db2.gz HILJLHHHHBILNR-UHFFFAOYSA-N -1 3 383.372 -0.734 20 0 GBADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCN(C(=O)c2c[nH]c(=O)cn2)CC1 ZINC001571217118 953106187 /nfs/dbraw/zinc/10/61/87/953106187.db2.gz HILJLHHHHBILNR-UHFFFAOYSA-N -1 3 383.372 -0.734 20 0 GBADHM COC(=O)c1nccc(N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571217125 953106441 /nfs/dbraw/zinc/10/64/41/953106441.db2.gz HPRTYSKVOXIHQZ-SECBINFHSA-N -1 3 383.372 -0.220 20 0 GBADHM COC(=O)c1nccc(N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571217125 953106438 /nfs/dbraw/zinc/10/64/38/953106438.db2.gz HPRTYSKVOXIHQZ-SECBINFHSA-N -1 3 383.372 -0.220 20 0 GBADHM COC(=O)c1nccc(N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571217270 953106545 /nfs/dbraw/zinc/10/65/45/953106545.db2.gz HPRTYSKVOXIHQZ-VIFPVBQESA-N -1 3 383.372 -0.220 20 0 GBADHM COC(=O)c1nccc(N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571217270 953106543 /nfs/dbraw/zinc/10/65/43/953106543.db2.gz HPRTYSKVOXIHQZ-VIFPVBQESA-N -1 3 383.372 -0.220 20 0 GBADHM CN(C(=O)c1c[nH]c(=O)cn1)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571217275 953106136 /nfs/dbraw/zinc/10/61/36/953106136.db2.gz DIXOIWASZSAEMN-UHFFFAOYSA-N -1 3 383.372 -0.689 20 0 GBADHM CN(C(=O)c1c[nH]c(=O)cn1)C1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571217275 953106133 /nfs/dbraw/zinc/10/61/33/953106133.db2.gz DIXOIWASZSAEMN-UHFFFAOYSA-N -1 3 383.372 -0.689 20 0 GBADHM COc1cnc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nc1 ZINC001571217290 953107221 /nfs/dbraw/zinc/10/72/21/953107221.db2.gz HWRWJTDEDUVEIN-JTQLQIEISA-N -1 3 383.372 -0.362 20 0 GBADHM COc1cnc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nc1 ZINC001571217290 953107218 /nfs/dbraw/zinc/10/72/18/953107218.db2.gz HWRWJTDEDUVEIN-JTQLQIEISA-N -1 3 383.372 -0.362 20 0 GBADHM CN(Cc1nnc2n1CCNC2=O)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001571217355 953107393 /nfs/dbraw/zinc/10/73/93/953107393.db2.gz GCVQGQMQCXHTNK-UHFFFAOYSA-N -1 3 383.372 -0.761 20 0 GBADHM COc1ccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001571217361 953108160 /nfs/dbraw/zinc/10/81/60/953108160.db2.gz IQLXVNLTEJPTRS-VIFPVBQESA-N -1 3 383.372 -0.362 20 0 GBADHM COc1ccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001571217361 953108156 /nfs/dbraw/zinc/10/81/56/953108156.db2.gz IQLXVNLTEJPTRS-VIFPVBQESA-N -1 3 383.372 -0.362 20 0 GBADHM COc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)nn1 ZINC001571217375 953108643 /nfs/dbraw/zinc/10/86/43/953108643.db2.gz JRFCPLGXJJBEQE-NEPJUHHUSA-N -1 3 383.372 -0.960 20 0 GBADHM COc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)nn1 ZINC001571217375 953108641 /nfs/dbraw/zinc/10/86/41/953108641.db2.gz JRFCPLGXJJBEQE-NEPJUHHUSA-N -1 3 383.372 -0.960 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cc2n(n1)CCO2 ZINC001571217378 953107970 /nfs/dbraw/zinc/10/79/70/953107970.db2.gz JXQBSVZKFDFWKH-SECBINFHSA-N -1 3 383.372 -0.572 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cc2n(n1)CCO2 ZINC001571217378 953107966 /nfs/dbraw/zinc/10/79/66/953107966.db2.gz JXQBSVZKFDFWKH-SECBINFHSA-N -1 3 383.372 -0.572 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cc2n(n1)CCO2 ZINC001571217379 953108235 /nfs/dbraw/zinc/10/82/35/953108235.db2.gz JXQBSVZKFDFWKH-VIFPVBQESA-N -1 3 383.372 -0.572 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cc2n(n1)CCO2 ZINC001571217379 953108231 /nfs/dbraw/zinc/10/82/31/953108231.db2.gz JXQBSVZKFDFWKH-VIFPVBQESA-N -1 3 383.372 -0.572 20 0 GBADHM Cc1nonc1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571217385 953108336 /nfs/dbraw/zinc/10/83/36/953108336.db2.gz KBPUFNODODMQBX-JOYOIKCWSA-N -1 3 383.372 -0.127 20 0 GBADHM Cc1nonc1C(=O)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571217385 953108334 /nfs/dbraw/zinc/10/83/34/953108334.db2.gz KBPUFNODODMQBX-JOYOIKCWSA-N -1 3 383.372 -0.127 20 0 GBADHM CO[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cn[nH]c(=O)c1 ZINC001571217399 953107880 /nfs/dbraw/zinc/10/78/80/953107880.db2.gz KQHBTFZHSVGLIJ-VXGBXAGGSA-N -1 3 383.372 -0.609 20 0 GBADHM CO[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cn[nH]c(=O)c1 ZINC001571217399 953107877 /nfs/dbraw/zinc/10/78/77/953107877.db2.gz KQHBTFZHSVGLIJ-VXGBXAGGSA-N -1 3 383.372 -0.609 20 0 GBADHM O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571217409 953108129 /nfs/dbraw/zinc/10/81/29/953108129.db2.gz LDAPSIIKBDJTII-AOOOYVTPSA-N -1 3 383.372 -0.717 20 0 GBADHM O=C(Cn1ccc(=O)[nH]c1=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571217409 953108124 /nfs/dbraw/zinc/10/81/24/953108124.db2.gz LDAPSIIKBDJTII-AOOOYVTPSA-N -1 3 383.372 -0.717 20 0 GBADHM COc1nccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571217412 953108350 /nfs/dbraw/zinc/10/83/50/953108350.db2.gz LGOGSGRWOHAZIL-JTQLQIEISA-N -1 3 383.372 -0.362 20 0 GBADHM COc1nccc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571217412 953108347 /nfs/dbraw/zinc/10/83/47/953108347.db2.gz LGOGSGRWOHAZIL-JTQLQIEISA-N -1 3 383.372 -0.362 20 0 GBADHM COc1nccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571217413 953108597 /nfs/dbraw/zinc/10/85/97/953108597.db2.gz LGOGSGRWOHAZIL-SNVBAGLBSA-N -1 3 383.372 -0.362 20 0 GBADHM COc1nccc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571217413 953108593 /nfs/dbraw/zinc/10/85/93/953108593.db2.gz LGOGSGRWOHAZIL-SNVBAGLBSA-N -1 3 383.372 -0.362 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001571217419 953108306 /nfs/dbraw/zinc/10/83/06/953108306.db2.gz LMNYQQDPKCBXBK-SCZZXKLOSA-N -1 3 383.372 -0.689 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1c[nH]c(=O)cn1 ZINC001571217419 953108303 /nfs/dbraw/zinc/10/83/03/953108303.db2.gz LMNYQQDPKCBXBK-SCZZXKLOSA-N -1 3 383.372 -0.689 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571217500 953109157 /nfs/dbraw/zinc/10/91/57/953109157.db2.gz MLNLVMFMHULQSN-CHWSQXEVSA-N -1 3 383.372 -0.746 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccncn2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571217500 953109151 /nfs/dbraw/zinc/10/91/51/953109151.db2.gz MLNLVMFMHULQSN-CHWSQXEVSA-N -1 3 383.372 -0.746 20 0 GBADHM Cc1nonc1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571217558 953109578 /nfs/dbraw/zinc/10/95/78/953109578.db2.gz NJIJQSMCDSSMDS-JOYOIKCWSA-N -1 3 383.372 -0.127 20 0 GBADHM Cc1nonc1C(=O)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571217558 953109574 /nfs/dbraw/zinc/10/95/74/953109574.db2.gz NJIJQSMCDSSMDS-JOYOIKCWSA-N -1 3 383.372 -0.127 20 0 GBADHM COc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)ncn1 ZINC001571217574 953109223 /nfs/dbraw/zinc/10/92/23/953109223.db2.gz NXJHJSOEDZGNCT-SECBINFHSA-N -1 3 383.372 -0.362 20 0 GBADHM COc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)ncn1 ZINC001571217574 953109221 /nfs/dbraw/zinc/10/92/21/953109221.db2.gz NXJHJSOEDZGNCT-SECBINFHSA-N -1 3 383.372 -0.362 20 0 GBADHM COc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)ncn1 ZINC001571217575 953109288 /nfs/dbraw/zinc/10/92/88/953109288.db2.gz NXJHJSOEDZGNCT-VIFPVBQESA-N -1 3 383.372 -0.362 20 0 GBADHM COc1cc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)ncn1 ZINC001571217575 953109286 /nfs/dbraw/zinc/10/92/86/953109286.db2.gz NXJHJSOEDZGNCT-VIFPVBQESA-N -1 3 383.372 -0.362 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571217587 953108936 /nfs/dbraw/zinc/10/89/36/953108936.db2.gz OCJVEDIMHVFUJT-KCJUWKMLSA-N -1 3 383.372 -0.277 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571217587 953108931 /nfs/dbraw/zinc/10/89/31/953108931.db2.gz OCJVEDIMHVFUJT-KCJUWKMLSA-N -1 3 383.372 -0.277 20 0 GBADHM COc1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001571217588 953109295 /nfs/dbraw/zinc/10/92/95/953109295.db2.gz ODIUIODTOZFHCK-PHIMTYICSA-N -1 3 383.372 -0.316 20 0 GBADHM COc1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001571217588 953109292 /nfs/dbraw/zinc/10/92/92/953109292.db2.gz ODIUIODTOZFHCK-PHIMTYICSA-N -1 3 383.372 -0.316 20 0 GBADHM Cc1nonc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571217603 953109240 /nfs/dbraw/zinc/10/92/40/953109240.db2.gz OOTSZRRFTZWHDQ-MSRIBSCDSA-N -1 3 383.372 -0.684 20 0 GBADHM Cc1nonc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571217603 953109238 /nfs/dbraw/zinc/10/92/38/953109238.db2.gz OOTSZRRFTZWHDQ-MSRIBSCDSA-N -1 3 383.372 -0.684 20 0 GBADHM O=C(NC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571217618 953109097 /nfs/dbraw/zinc/10/90/97/953109097.db2.gz PAAIWZCUNXKGPL-UHFFFAOYSA-N -1 3 383.372 -0.687 20 0 GBADHM O=C(NC1CCN(C(=O)c2c[nH]c(=O)cn2)CC1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571217618 953109092 /nfs/dbraw/zinc/10/90/92/953109092.db2.gz PAAIWZCUNXKGPL-UHFFFAOYSA-N -1 3 383.372 -0.687 20 0 GBADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001571217661 953110099 /nfs/dbraw/zinc/11/00/99/953110099.db2.gz HIFPRNJARNDUPF-UHFFFAOYSA-N -1 3 383.372 -0.689 20 0 GBADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC(NC(=O)c2c[nH]c(=O)cn2)C1 ZINC001571217661 953110097 /nfs/dbraw/zinc/11/00/97/953110097.db2.gz HIFPRNJARNDUPF-UHFFFAOYSA-N -1 3 383.372 -0.689 20 0 GBADHM C[C@@H](NC(=O)c1ccc(=O)[nH]n1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571217710 953110823 /nfs/dbraw/zinc/11/08/23/953110823.db2.gz JAPKVHBFDPWJQD-MRVPVSSYSA-N -1 3 383.372 -0.419 20 0 GBADHM C[C@@H](NC(=O)c1ccc(=O)[nH]n1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571217710 953110821 /nfs/dbraw/zinc/11/08/21/953110821.db2.gz JAPKVHBFDPWJQD-MRVPVSSYSA-N -1 3 383.372 -0.419 20 0 GBADHM C[C@H](NC(=O)c1ccc(=O)[nH]n1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571217711 953111140 /nfs/dbraw/zinc/11/11/40/953111140.db2.gz JAPKVHBFDPWJQD-QMMMGPOBSA-N -1 3 383.372 -0.419 20 0 GBADHM C[C@H](NC(=O)c1ccc(=O)[nH]n1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571217711 953111139 /nfs/dbraw/zinc/11/11/39/953111139.db2.gz JAPKVHBFDPWJQD-QMMMGPOBSA-N -1 3 383.372 -0.419 20 0 GBADHM Cn1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c(=O)[nH]c1=O ZINC001571217869 953111037 /nfs/dbraw/zinc/11/10/37/953111037.db2.gz RANUMNMIAHIACL-MGCOHNPYSA-N -1 3 383.372 -0.566 20 0 GBADHM Cn1cc(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(=O)[nH]c1=O ZINC001571217869 953111036 /nfs/dbraw/zinc/11/10/36/953111036.db2.gz RANUMNMIAHIACL-MGCOHNPYSA-N -1 3 383.372 -0.566 20 0 GBADHM CO[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571217897 953111908 /nfs/dbraw/zinc/11/19/08/953111908.db2.gz RQQQCCZIHRPZLD-CHWSQXEVSA-N -1 3 383.372 -0.746 20 0 GBADHM CO[C@@H]1CN(C(=O)c2cccnn2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571217897 953111902 /nfs/dbraw/zinc/11/19/02/953111902.db2.gz RQQQCCZIHRPZLD-CHWSQXEVSA-N -1 3 383.372 -0.746 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571217916 953112051 /nfs/dbraw/zinc/11/20/51/953112051.db2.gz SKLJOUGGJJRKNL-VXGBXAGGSA-N -1 3 383.372 -0.746 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571217916 953112049 /nfs/dbraw/zinc/11/20/49/953112049.db2.gz SKLJOUGGJJRKNL-VXGBXAGGSA-N -1 3 383.372 -0.746 20 0 GBADHM COc1cnc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc1 ZINC001571217917 953111835 /nfs/dbraw/zinc/11/18/35/953111835.db2.gz SMSFFAFXVIEFJH-JTQLQIEISA-N -1 3 383.372 -0.362 20 0 GBADHM COc1cnc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc1 ZINC001571217917 953111831 /nfs/dbraw/zinc/11/18/31/953111831.db2.gz SMSFFAFXVIEFJH-JTQLQIEISA-N -1 3 383.372 -0.362 20 0 GBADHM COc1cnc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc1 ZINC001571217919 953111848 /nfs/dbraw/zinc/11/18/48/953111848.db2.gz SMSFFAFXVIEFJH-SNVBAGLBSA-N -1 3 383.372 -0.362 20 0 GBADHM COc1cnc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc1 ZINC001571217919 953111844 /nfs/dbraw/zinc/11/18/44/953111844.db2.gz SMSFFAFXVIEFJH-SNVBAGLBSA-N -1 3 383.372 -0.362 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571217932 953111594 /nfs/dbraw/zinc/11/15/94/953111594.db2.gz SPTDAWPDNYPBQO-SECBINFHSA-N -1 3 383.372 -0.572 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571217932 953111591 /nfs/dbraw/zinc/11/15/91/953111591.db2.gz SPTDAWPDNYPBQO-SECBINFHSA-N -1 3 383.372 -0.572 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571217933 953111689 /nfs/dbraw/zinc/11/16/89/953111689.db2.gz SPTDAWPDNYPBQO-VIFPVBQESA-N -1 3 383.372 -0.572 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2cc3n(n2)CCO3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571217933 953111686 /nfs/dbraw/zinc/11/16/86/953111686.db2.gz SPTDAWPDNYPBQO-VIFPVBQESA-N -1 3 383.372 -0.572 20 0 GBADHM O=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571217981 953112151 /nfs/dbraw/zinc/11/21/51/953112151.db2.gz JXWJDHNDFGKORZ-CYBMUJFWSA-N -1 3 383.368 -0.271 20 0 GBADHM O=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571217981 953112143 /nfs/dbraw/zinc/11/21/43/953112143.db2.gz JXWJDHNDFGKORZ-CYBMUJFWSA-N -1 3 383.368 -0.271 20 0 GBADHM O=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571217983 953111871 /nfs/dbraw/zinc/11/18/71/953111871.db2.gz JXWJDHNDFGKORZ-ZDUSSCGKSA-N -1 3 383.368 -0.271 20 0 GBADHM O=C(Cn1ccc(=O)[nH]c1=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571217983 953111867 /nfs/dbraw/zinc/11/18/67/953111867.db2.gz JXWJDHNDFGKORZ-ZDUSSCGKSA-N -1 3 383.368 -0.271 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571218000 953111617 /nfs/dbraw/zinc/11/16/17/953111617.db2.gz KJJFREPKPIXIQV-PSASIEDQSA-N -1 3 383.372 -0.277 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571218000 953111613 /nfs/dbraw/zinc/11/16/13/953111613.db2.gz KJJFREPKPIXIQV-PSASIEDQSA-N -1 3 383.372 -0.277 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571218002 953111527 /nfs/dbraw/zinc/11/15/27/953111527.db2.gz KJJFREPKPIXIQV-SCZZXKLOSA-N -1 3 383.372 -0.277 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571218002 953111523 /nfs/dbraw/zinc/11/15/23/953111523.db2.gz KJJFREPKPIXIQV-SCZZXKLOSA-N -1 3 383.372 -0.277 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571218004 953111808 /nfs/dbraw/zinc/11/18/08/953111808.db2.gz KJJFREPKPIXIQV-WCBMZHEXSA-N -1 3 383.372 -0.277 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571218004 953111804 /nfs/dbraw/zinc/11/18/04/953111804.db2.gz KJJFREPKPIXIQV-WCBMZHEXSA-N -1 3 383.372 -0.277 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571218006 953112185 /nfs/dbraw/zinc/11/21/85/953112185.db2.gz KJJFREPKPIXIQV-WPRPVWTQSA-N -1 3 383.372 -0.277 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571218006 953112179 /nfs/dbraw/zinc/11/21/79/953112179.db2.gz KJJFREPKPIXIQV-WPRPVWTQSA-N -1 3 383.372 -0.277 20 0 GBADHM CO[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1ccc(=O)[nH]n1 ZINC001571218246 953114067 /nfs/dbraw/zinc/11/40/67/953114067.db2.gz TZGVCUFNBUZUFN-VXGBXAGGSA-N -1 3 383.372 -0.609 20 0 GBADHM CO[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1ccc(=O)[nH]n1 ZINC001571218246 953114062 /nfs/dbraw/zinc/11/40/62/953114062.db2.gz TZGVCUFNBUZUFN-VXGBXAGGSA-N -1 3 383.372 -0.609 20 0 GBADHM COc1ncc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001571218248 953114329 /nfs/dbraw/zinc/11/43/29/953114329.db2.gz UDDNRQYGJWUDHI-NSHDSACASA-N -1 3 383.372 -0.362 20 0 GBADHM COc1ncc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001571218248 953114325 /nfs/dbraw/zinc/11/43/25/953114325.db2.gz UDDNRQYGJWUDHI-NSHDSACASA-N -1 3 383.372 -0.362 20 0 GBADHM COc1cncc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571218284 953114037 /nfs/dbraw/zinc/11/40/37/953114037.db2.gz VFSBTXRSGMLQQZ-JTQLQIEISA-N -1 3 383.372 -0.362 20 0 GBADHM COc1cncc(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571218284 953114031 /nfs/dbraw/zinc/11/40/31/953114031.db2.gz VFSBTXRSGMLQQZ-JTQLQIEISA-N -1 3 383.372 -0.362 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571218292 953113991 /nfs/dbraw/zinc/11/39/91/953113991.db2.gz VJRDUTUPHZRHPQ-KCJUWKMLSA-N -1 3 383.372 -0.277 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1cn[nH]c(=O)c1 ZINC001571218292 953113988 /nfs/dbraw/zinc/11/39/88/953113988.db2.gz VJRDUTUPHZRHPQ-KCJUWKMLSA-N -1 3 383.372 -0.277 20 0 GBADHM COc1cncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)n1 ZINC001571218301 953113984 /nfs/dbraw/zinc/11/39/84/953113984.db2.gz VOLVDYHJDLWVAB-VXGBXAGGSA-N -1 3 383.372 -0.960 20 0 GBADHM COc1cncc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)n1 ZINC001571218301 953113982 /nfs/dbraw/zinc/11/39/82/953113982.db2.gz VOLVDYHJDLWVAB-VXGBXAGGSA-N -1 3 383.372 -0.960 20 0 GBADHM COc1cncc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571218319 953115181 /nfs/dbraw/zinc/11/51/81/953115181.db2.gz WCLKFURTFQIAKP-SECBINFHSA-N -1 3 383.372 -0.362 20 0 GBADHM COc1cncc(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571218319 953115177 /nfs/dbraw/zinc/11/51/77/953115177.db2.gz WCLKFURTFQIAKP-SECBINFHSA-N -1 3 383.372 -0.362 20 0 GBADHM COc1cncc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571218320 953115071 /nfs/dbraw/zinc/11/50/71/953115071.db2.gz WCLKFURTFQIAKP-VIFPVBQESA-N -1 3 383.372 -0.362 20 0 GBADHM COc1cncc(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571218320 953115070 /nfs/dbraw/zinc/11/50/70/953115070.db2.gz WCLKFURTFQIAKP-VIFPVBQESA-N -1 3 383.372 -0.362 20 0 GBADHM COc1nccc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571218321 953115354 /nfs/dbraw/zinc/11/53/54/953115354.db2.gz WDIKGFLHFPEOOU-JTQLQIEISA-N -1 3 383.372 -0.362 20 0 GBADHM COc1nccc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571218321 953115351 /nfs/dbraw/zinc/11/53/51/953115351.db2.gz WDIKGFLHFPEOOU-JTQLQIEISA-N -1 3 383.372 -0.362 20 0 GBADHM COc1nccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571218322 953114944 /nfs/dbraw/zinc/11/49/44/953114944.db2.gz WDIKGFLHFPEOOU-SNVBAGLBSA-N -1 3 383.372 -0.362 20 0 GBADHM COc1nccc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571218322 953114940 /nfs/dbraw/zinc/11/49/40/953114940.db2.gz WDIKGFLHFPEOOU-SNVBAGLBSA-N -1 3 383.372 -0.362 20 0 GBADHM COc1ncc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cn1 ZINC001571218325 953115025 /nfs/dbraw/zinc/11/50/25/953115025.db2.gz WEGTTYYYEUCUDM-UHFFFAOYSA-N -1 3 383.372 -0.408 20 0 GBADHM COc1ncc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cn1 ZINC001571218325 953115021 /nfs/dbraw/zinc/11/50/21/953115021.db2.gz WEGTTYYYEUCUDM-UHFFFAOYSA-N -1 3 383.372 -0.408 20 0 GBADHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001571218419 953114994 /nfs/dbraw/zinc/11/49/94/953114994.db2.gz NCCNOACRPPSYEK-JTQLQIEISA-N -1 3 383.368 -0.080 20 0 GBADHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(=O)n(CC(N)=O)c1 ZINC001571218420 953115230 /nfs/dbraw/zinc/11/52/30/953115230.db2.gz NCCNOACRPPSYEK-SNVBAGLBSA-N -1 3 383.368 -0.080 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571218444 953115344 /nfs/dbraw/zinc/11/53/44/953115344.db2.gz NZXMKRJBYUEQHL-MRVPVSSYSA-N -1 3 383.372 -0.831 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(=O)cn1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571218444 953115342 /nfs/dbraw/zinc/11/53/42/953115342.db2.gz NZXMKRJBYUEQHL-MRVPVSSYSA-N -1 3 383.372 -0.831 20 0 GBADHM C[C@H](NC(=O)c1c[nH]c(=O)cn1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571218445 953114971 /nfs/dbraw/zinc/11/49/71/953114971.db2.gz NZXMKRJBYUEQHL-QMMMGPOBSA-N -1 3 383.372 -0.831 20 0 GBADHM C[C@H](NC(=O)c1c[nH]c(=O)cn1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571218445 953114970 /nfs/dbraw/zinc/11/49/70/953114970.db2.gz NZXMKRJBYUEQHL-QMMMGPOBSA-N -1 3 383.372 -0.831 20 0 GBADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571218463 953114956 /nfs/dbraw/zinc/11/49/56/953114956.db2.gz ORHQVBUUYPVUFA-SECBINFHSA-N -1 3 383.372 -0.735 20 0 GBADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571218463 953114953 /nfs/dbraw/zinc/11/49/53/953114953.db2.gz ORHQVBUUYPVUFA-SECBINFHSA-N -1 3 383.372 -0.735 20 0 GBADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571218464 953115406 /nfs/dbraw/zinc/11/54/06/953115406.db2.gz ORHQVBUUYPVUFA-VIFPVBQESA-N -1 3 383.372 -0.735 20 0 GBADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC001571218464 953115403 /nfs/dbraw/zinc/11/54/03/953115403.db2.gz ORHQVBUUYPVUFA-VIFPVBQESA-N -1 3 383.372 -0.735 20 0 GBADHM O=C(N[C@@H]1CN(CCO[C@@H]2CC2(F)F)C[C@@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571218502 953115884 /nfs/dbraw/zinc/11/58/84/953115884.db2.gz PLYGJHMOEFSTNC-GRYCIOLGSA-N -1 3 383.359 -0.606 20 0 GBADHM O=C(N[C@@H]1CN(CCO[C@@H]2CC2(F)F)C[C@@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571218502 953115881 /nfs/dbraw/zinc/11/58/81/953115881.db2.gz PLYGJHMOEFSTNC-GRYCIOLGSA-N -1 3 383.359 -0.606 20 0 GBADHM 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COc1ccc(CN2CCN(C(=O)c3cnn(C)n3)CC2)cc1-c1nnn[n-]1 ZINC001571222783 953138651 /nfs/dbraw/zinc/13/86/51/953138651.db2.gz LXNQVGFPHBCIMU-UHFFFAOYSA-N -1 3 383.416 -0.038 20 0 GBADHM CCn1nccc1C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001571222787 953138695 /nfs/dbraw/zinc/13/86/95/953138695.db2.gz MJDXYBRRSBNNDU-TZMCWYRMSA-N -1 3 383.416 -0.234 20 0 GBADHM CCn1nccc1C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001571222787 953138693 /nfs/dbraw/zinc/13/86/93/953138693.db2.gz MJDXYBRRSBNNDU-TZMCWYRMSA-N -1 3 383.416 -0.234 20 0 GBADHM CCn1cnc(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@@H]2O)c1 ZINC001571222804 953138315 /nfs/dbraw/zinc/13/83/15/953138315.db2.gz MMZVJWSXNWEITH-OCCSQVGLSA-N -1 3 383.416 -0.234 20 0 GBADHM CCn1cnc(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@@H]2O)c1 ZINC001571222804 953138312 /nfs/dbraw/zinc/13/83/12/953138312.db2.gz MMZVJWSXNWEITH-OCCSQVGLSA-N -1 3 383.416 -0.234 20 0 GBADHM Cc1c(CC(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cnn1C ZINC001571222828 953139822 /nfs/dbraw/zinc/13/98/22/953139822.db2.gz MVRCOTHLSXXMBN-ZDUSSCGKSA-N -1 3 383.416 -0.190 20 0 GBADHM Cc1c(CC(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cnn1C ZINC001571222828 953139820 /nfs/dbraw/zinc/13/98/20/953139820.db2.gz MVRCOTHLSXXMBN-ZDUSSCGKSA-N -1 3 383.416 -0.190 20 0 GBADHM C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571222832 953139357 /nfs/dbraw/zinc/13/93/57/953139357.db2.gz MWQGMGRJTQOVFA-GHMZBOCLSA-N -1 3 383.416 -0.015 20 0 GBADHM C[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571222832 953139355 /nfs/dbraw/zinc/13/93/55/953139355.db2.gz MWQGMGRJTQOVFA-GHMZBOCLSA-N -1 3 383.416 -0.015 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCC2(CCNC2=O)CC1 ZINC001571222836 953139938 /nfs/dbraw/zinc/13/99/38/953139938.db2.gz LXFVQIOWNNULDS-UHFFFAOYSA-N -1 3 383.412 -0.275 20 0 GBADHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCC2(CCNC2=O)CC1 ZINC001571222836 953139936 /nfs/dbraw/zinc/13/99/36/953139936.db2.gz LXFVQIOWNNULDS-UHFFFAOYSA-N -1 3 383.412 -0.275 20 0 GBADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571222858 953139530 /nfs/dbraw/zinc/13/95/30/953139530.db2.gz MIVCPUUYOKMIIJ-ACBLYQCWSA-N -1 3 383.412 -0.051 20 0 GBADHM O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571222858 953139528 /nfs/dbraw/zinc/13/95/28/953139528.db2.gz MIVCPUUYOKMIIJ-ACBLYQCWSA-N -1 3 383.412 -0.051 20 0 GBADHM CCn1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)n1 ZINC001571222861 953140066 /nfs/dbraw/zinc/14/00/66/953140066.db2.gz NDMPRZCBCUJNKC-GXTWGEPZSA-N -1 3 383.416 -0.152 20 0 GBADHM CCn1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)n1 ZINC001571222861 953140064 /nfs/dbraw/zinc/14/00/64/953140064.db2.gz NDMPRZCBCUJNKC-GXTWGEPZSA-N -1 3 383.416 -0.152 20 0 GBADHM CCn1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)n1 ZINC001571222862 953139467 /nfs/dbraw/zinc/13/94/67/953139467.db2.gz NDMPRZCBCUJNKC-JSGCOSHPSA-N -1 3 383.416 -0.152 20 0 GBADHM CCn1ccc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)n1 ZINC001571222862 953139458 /nfs/dbraw/zinc/13/94/58/953139458.db2.gz NDMPRZCBCUJNKC-JSGCOSHPSA-N -1 3 383.416 -0.152 20 0 GBADHM CCn1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)n1 ZINC001571222864 953139344 /nfs/dbraw/zinc/13/93/44/953139344.db2.gz NDMPRZCBCUJNKC-OCCSQVGLSA-N -1 3 383.416 -0.152 20 0 GBADHM CCn1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)n1 ZINC001571222864 953139342 /nfs/dbraw/zinc/13/93/42/953139342.db2.gz NDMPRZCBCUJNKC-OCCSQVGLSA-N -1 3 383.416 -0.152 20 0 GBADHM CCn1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)n1 ZINC001571222866 953140038 /nfs/dbraw/zinc/14/00/38/953140038.db2.gz NDMPRZCBCUJNKC-TZMCWYRMSA-N -1 3 383.416 -0.152 20 0 GBADHM CCn1ccc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)n1 ZINC001571222866 953140036 /nfs/dbraw/zinc/14/00/36/953140036.db2.gz NDMPRZCBCUJNKC-TZMCWYRMSA-N -1 3 383.416 -0.152 20 0 GBADHM CO[C@@H]1CN(Cc2nccc(C)n2)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222922 953140561 /nfs/dbraw/zinc/14/05/61/953140561.db2.gz NPVBNDKZQNEVSW-ZIAGYGMSSA-N -1 3 383.416 -0.078 20 0 GBADHM CO[C@@H]1CN(Cc2nccc(C)n2)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222922 953140557 /nfs/dbraw/zinc/14/05/57/953140557.db2.gz NPVBNDKZQNEVSW-ZIAGYGMSSA-N -1 3 383.416 -0.078 20 0 GBADHM CCn1ccc(CC(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571222937 953140663 /nfs/dbraw/zinc/14/06/63/953140663.db2.gz OBFVFIQDLJVTPV-LBPRGKRZSA-N -1 3 383.416 -0.015 20 0 GBADHM CCn1ccc(CC(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571222937 953140660 /nfs/dbraw/zinc/14/06/60/953140660.db2.gz OBFVFIQDLJVTPV-LBPRGKRZSA-N -1 3 383.416 -0.015 20 0 GBADHM CCn1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c1C ZINC001571222950 953140504 /nfs/dbraw/zinc/14/05/04/953140504.db2.gz ODZYQGSMHAFNKZ-ZIAGYGMSSA-N -1 3 383.416 -0.234 20 0 GBADHM CCn1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)c1C ZINC001571222950 953140501 /nfs/dbraw/zinc/14/05/01/953140501.db2.gz ODZYQGSMHAFNKZ-ZIAGYGMSSA-N -1 3 383.416 -0.234 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)Cc1ccn(C)n1 ZINC001571222968 953140549 /nfs/dbraw/zinc/14/05/49/953140549.db2.gz OKLVJSAGQZZIQG-MFKMUULPSA-N -1 3 383.416 -0.110 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)Cc1ccn(C)n1 ZINC001571222968 953140546 /nfs/dbraw/zinc/14/05/46/953140546.db2.gz OKLVJSAGQZZIQG-MFKMUULPSA-N -1 3 383.416 -0.110 20 0 GBADHM C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571222995 953140760 /nfs/dbraw/zinc/14/07/60/953140760.db2.gz OSYLFKBCFPODDS-QMTHXVAHSA-N -1 3 383.416 -0.252 20 0 GBADHM C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571222995 953140759 /nfs/dbraw/zinc/14/07/59/953140759.db2.gz OSYLFKBCFPODDS-QMTHXVAHSA-N -1 3 383.416 -0.252 20 0 GBADHM CO[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cnc(C)n1C ZINC001571222997 953140932 /nfs/dbraw/zinc/14/09/32/953140932.db2.gz OVBNRTLKVQOMAO-TZMCWYRMSA-N -1 3 383.416 -0.063 20 0 GBADHM CO[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cnc(C)n1C ZINC001571222997 953140929 /nfs/dbraw/zinc/14/09/29/953140929.db2.gz OVBNRTLKVQOMAO-TZMCWYRMSA-N -1 3 383.416 -0.063 20 0 GBADHM CCn1nc(C)cc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001571223094 953141596 /nfs/dbraw/zinc/14/15/96/953141596.db2.gz QGGWQZMIYWQTDG-HIFRSBDPSA-N -1 3 383.416 -0.234 20 0 GBADHM CCn1nc(C)cc1C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001571223094 953141594 /nfs/dbraw/zinc/14/15/94/953141594.db2.gz QGGWQZMIYWQTDG-HIFRSBDPSA-N -1 3 383.416 -0.234 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21)C1=CCOCC1 ZINC001571223162 953141399 /nfs/dbraw/zinc/14/13/99/953141399.db2.gz OPUKNWUUMBZVRO-XYYAHUGASA-N -1 3 383.412 -0.024 20 0 GBADHM O=C(NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21)C1=CCOCC1 ZINC001571223162 953141395 /nfs/dbraw/zinc/14/13/95/953141395.db2.gz OPUKNWUUMBZVRO-XYYAHUGASA-N -1 3 383.412 -0.024 20 0 GBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCC2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001571223209 953142011 /nfs/dbraw/zinc/14/20/11/953142011.db2.gz PUWMRPKZUSRFKT-IMRBUKKESA-N -1 3 383.412 -0.238 20 0 GBADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCC2(CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)C1 ZINC001571223209 953142010 /nfs/dbraw/zinc/14/20/10/953142010.db2.gz PUWMRPKZUSRFKT-IMRBUKKESA-N -1 3 383.412 -0.238 20 0 GBADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)Cc2ccn(C)n2)C1 ZINC001571223216 953142708 /nfs/dbraw/zinc/14/27/08/953142708.db2.gz QADWAWNXQRCRSS-JTQLQIEISA-N -1 3 383.416 -0.252 20 0 GBADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)Cc2ccn(C)n2)C1 ZINC001571223216 953142705 /nfs/dbraw/zinc/14/27/05/953142705.db2.gz QADWAWNXQRCRSS-JTQLQIEISA-N -1 3 383.416 -0.252 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CN(C(=O)Cc2ccn(C)n2)C1 ZINC001571223217 953142524 /nfs/dbraw/zinc/14/25/24/953142524.db2.gz QADWAWNXQRCRSS-SNVBAGLBSA-N -1 3 383.416 -0.252 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CN(C(=O)Cc2ccn(C)n2)C1 ZINC001571223217 953142518 /nfs/dbraw/zinc/14/25/18/953142518.db2.gz QADWAWNXQRCRSS-SNVBAGLBSA-N -1 3 383.416 -0.252 20 0 GBADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1NC(=O)c1c(C)cnn1C ZINC001571223219 953142357 /nfs/dbraw/zinc/14/23/57/953142357.db2.gz QJNJMRFRYLXOND-CHWSQXEVSA-N -1 3 383.416 -0.063 20 0 GBADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1NC(=O)c1c(C)cnn1C ZINC001571223219 953142355 /nfs/dbraw/zinc/14/23/55/953142355.db2.gz QJNJMRFRYLXOND-CHWSQXEVSA-N -1 3 383.416 -0.063 20 0 GBADHM CO[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571223230 953142405 /nfs/dbraw/zinc/14/24/05/953142405.db2.gz QVZIAKLSNDFMQE-HUUCEWRRSA-N -1 3 383.416 -0.078 20 0 GBADHM CO[C@@H]1CN(Cc2cc(C)ncn2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571223230 953142403 /nfs/dbraw/zinc/14/24/03/953142403.db2.gz QVZIAKLSNDFMQE-HUUCEWRRSA-N -1 3 383.416 -0.078 20 0 GBADHM CCn1cc(CC(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)cn1 ZINC001571223295 953143681 /nfs/dbraw/zinc/14/36/81/953143681.db2.gz SMWVEZMLOUNENP-GFCCVEGCSA-N -1 3 383.416 -0.015 20 0 GBADHM CCn1cc(CC(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)cn1 ZINC001571223295 953143677 /nfs/dbraw/zinc/14/36/77/953143677.db2.gz SMWVEZMLOUNENP-GFCCVEGCSA-N -1 3 383.416 -0.015 20 0 GBADHM CN(C(=O)Cc1cncn1C)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571223305 953143250 /nfs/dbraw/zinc/14/32/50/953143250.db2.gz STDNUGSJSWMXGS-UHFFFAOYSA-N -1 3 383.416 -0.110 20 0 GBADHM CN(C(=O)Cc1cncn1C)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571223305 953143248 /nfs/dbraw/zinc/14/32/48/953143248.db2.gz STDNUGSJSWMXGS-UHFFFAOYSA-N -1 3 383.416 -0.110 20 0 GBADHM Cc1[nH]nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c1C ZINC001571223309 953143000 /nfs/dbraw/zinc/14/30/00/953143000.db2.gz SUYYBPGWOANAGC-CHWSQXEVSA-N -1 3 383.416 -0.029 20 0 GBADHM Cc1[nH]nc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)c1C ZINC001571223310 953143174 /nfs/dbraw/zinc/14/31/74/953143174.db2.gz SUYYBPGWOANAGC-OLZOCXBDSA-N -1 3 383.416 -0.029 20 0 GBADHM Cc1[nH]nc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c1C ZINC001571223311 953143169 /nfs/dbraw/zinc/14/31/69/953143169.db2.gz SUYYBPGWOANAGC-QWHCGFSZSA-N -1 3 383.416 -0.029 20 0 GBADHM Cc1[nH]nc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)c1C ZINC001571223312 953142964 /nfs/dbraw/zinc/14/29/64/953142964.db2.gz SUYYBPGWOANAGC-STQMWFEESA-N -1 3 383.416 -0.029 20 0 GBADHM CCc1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)n(C)n1 ZINC001571223387 953144154 /nfs/dbraw/zinc/14/41/54/953144154.db2.gz QNEDULQGOQMSRD-TZMCWYRMSA-N -1 3 383.416 -0.463 20 0 GBADHM CCc1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)n(C)n1 ZINC001571223387 953144152 /nfs/dbraw/zinc/14/41/52/953144152.db2.gz QNEDULQGOQMSRD-TZMCWYRMSA-N -1 3 383.416 -0.463 20 0 GBADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571223504 953144181 /nfs/dbraw/zinc/14/41/81/953144181.db2.gz RTQAQIKYKHDRBQ-FYPHCDFOSA-N -1 3 383.412 -0.051 20 0 GBADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571223504 953144177 /nfs/dbraw/zinc/14/41/77/953144177.db2.gz RTQAQIKYKHDRBQ-FYPHCDFOSA-N -1 3 383.412 -0.051 20 0 GBADHM COc1ccc(CN2CC(N(C)C(=O)c3cnnn3C)C2)cc1-c1nn[n-]n1 ZINC001571223535 953145181 /nfs/dbraw/zinc/14/51/81/953145181.db2.gz UMSHOFATGBQSMZ-UHFFFAOYSA-N -1 3 383.416 -0.040 20 0 GBADHM COc1ccc(CN2CC(N(C)C(=O)c3cnnn3C)C2)cc1-c1nnn[n-]1 ZINC001571223535 953145178 /nfs/dbraw/zinc/14/51/78/953145178.db2.gz UMSHOFATGBQSMZ-UHFFFAOYSA-N -1 3 383.416 -0.040 20 0 GBADHM 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383.412 -0.479 20 0 GBADHM CCc1cc(N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)nc(C)n1 ZINC001571223757 953145923 /nfs/dbraw/zinc/14/59/23/953145923.db2.gz UJMXZHSLQABYNI-KGLIPLIRSA-N -1 3 383.416 -0.165 20 0 GBADHM CCc1cc(N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)nc(C)n1 ZINC001571223757 953145920 /nfs/dbraw/zinc/14/59/20/953145920.db2.gz UJMXZHSLQABYNI-KGLIPLIRSA-N -1 3 383.416 -0.165 20 0 GBADHM CCc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nc(C)n1 ZINC001571223759 953145856 /nfs/dbraw/zinc/14/58/56/953145856.db2.gz UJMXZHSLQABYNI-ZIAGYGMSSA-N -1 3 383.416 -0.165 20 0 GBADHM CCc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nc(C)n1 ZINC001571223759 953145853 /nfs/dbraw/zinc/14/58/53/953145853.db2.gz UJMXZHSLQABYNI-ZIAGYGMSSA-N -1 3 383.416 -0.165 20 0 GBADHM C[C@H]1[C@@H](NC(=O)Cc2ccnn2C)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571223812 953146986 /nfs/dbraw/zinc/14/69/86/953146986.db2.gz VVHWCDCNGRBDHL-GWCFXTLKSA-N -1 3 383.416 -0.110 20 0 GBADHM 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CCc1cc(C(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]2O)[nH]n1 ZINC001571224043 953148690 /nfs/dbraw/zinc/14/86/90/953148690.db2.gz XLYUNJGJMCCXEK-ZIAGYGMSSA-N -1 3 383.416 -0.165 20 0 GBADHM C[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571224072 953148182 /nfs/dbraw/zinc/14/81/82/953148182.db2.gz XTWDKAFBEOFILN-CMPLNLGQSA-N -1 3 383.416 -0.129 20 0 GBADHM C[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571224072 953148178 /nfs/dbraw/zinc/14/81/78/953148178.db2.gz XTWDKAFBEOFILN-CMPLNLGQSA-N -1 3 383.416 -0.129 20 0 GBADHM C[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571224073 953148302 /nfs/dbraw/zinc/14/83/02/953148302.db2.gz XTWDKAFBEOFILN-JQWIXIFHSA-N -1 3 383.416 -0.129 20 0 GBADHM C[C@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571224073 953148299 /nfs/dbraw/zinc/14/82/99/953148299.db2.gz XTWDKAFBEOFILN-JQWIXIFHSA-N -1 3 383.416 -0.129 20 0 GBADHM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571224075 953148311 /nfs/dbraw/zinc/14/83/11/953148311.db2.gz XTWDKAFBEOFILN-PWSUYJOCSA-N -1 3 383.416 -0.129 20 0 GBADHM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571224075 953148308 /nfs/dbraw/zinc/14/83/08/953148308.db2.gz XTWDKAFBEOFILN-PWSUYJOCSA-N -1 3 383.416 -0.129 20 0 GBADHM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571224077 953148862 /nfs/dbraw/zinc/14/88/62/953148862.db2.gz XTWDKAFBEOFILN-ZYHUDNBSSA-N -1 3 383.416 -0.129 20 0 GBADHM C[C@@H]1CN(C(=O)c2cn(C)c(=O)n2C)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571224077 953148860 /nfs/dbraw/zinc/14/88/60/953148860.db2.gz XTWDKAFBEOFILN-ZYHUDNBSSA-N -1 3 383.416 -0.129 20 0 GBADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1C[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]21 ZINC001571224151 953149686 /nfs/dbraw/zinc/14/96/86/953149686.db2.gz ZMGRECZFODBCIM-ZNLHFFCSSA-N -1 3 383.412 -0.240 20 0 GBADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1C[C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C[C@H]21 ZINC001571224151 953149684 /nfs/dbraw/zinc/14/96/84/953149684.db2.gz ZMGRECZFODBCIM-ZNLHFFCSSA-N -1 3 383.412 -0.240 20 0 GBADHM Cc1cnc(CN2CCOC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001571224701 953150462 /nfs/dbraw/zinc/15/04/62/953150462.db2.gz DHCURRWIDIQVHF-AWEZNQCLSA-N -1 3 383.416 -0.076 20 0 GBADHM Cc1cnc(CN2CCOC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001571224701 953150459 /nfs/dbraw/zinc/15/04/59/953150459.db2.gz DHCURRWIDIQVHF-AWEZNQCLSA-N -1 3 383.416 -0.076 20 0 GBADHM Cc1cnc(CN2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001571224702 953150584 /nfs/dbraw/zinc/15/05/84/953150584.db2.gz DHCURRWIDIQVHF-CQSZACIVSA-N -1 3 383.416 -0.076 20 0 GBADHM Cc1cnc(CN2CCOC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001571224702 953150581 /nfs/dbraw/zinc/15/05/81/953150581.db2.gz DHCURRWIDIQVHF-CQSZACIVSA-N -1 3 383.416 -0.076 20 0 GBADHM Cc1nn(CC(=O)NC2CN(Cc3cccc(-c4nn[n-]n4)c3)C2)c(=O)n1C ZINC001571224703 953150667 /nfs/dbraw/zinc/15/06/67/953150667.db2.gz DIXWFLZBBOZBIW-UHFFFAOYSA-N -1 3 383.416 -0.929 20 0 GBADHM Cc1nn(CC(=O)NC2CN(Cc3cccc(-c4nnn[n-]4)c3)C2)c(=O)n1C ZINC001571224703 953150663 /nfs/dbraw/zinc/15/06/63/953150663.db2.gz DIXWFLZBBOZBIW-UHFFFAOYSA-N -1 3 383.416 -0.929 20 0 GBADHM Cc1nn(C)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001571224721 953150828 /nfs/dbraw/zinc/15/08/28/953150828.db2.gz FAOHACCZGOOXFE-DZGCQCFKSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1nn(C)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001571224721 953150826 /nfs/dbraw/zinc/15/08/26/953150826.db2.gz FAOHACCZGOOXFE-DZGCQCFKSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1nn(C)cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001571224722 953150793 /nfs/dbraw/zinc/15/07/93/953150793.db2.gz FAOHACCZGOOXFE-HIFRSBDPSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1nn(C)cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001571224722 953150791 /nfs/dbraw/zinc/15/07/91/953150791.db2.gz FAOHACCZGOOXFE-HIFRSBDPSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1nn(C)cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001571224723 953150652 /nfs/dbraw/zinc/15/06/52/953150652.db2.gz FAOHACCZGOOXFE-UKRRQHHQSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1nn(C)cc1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001571224723 953150650 /nfs/dbraw/zinc/15/06/50/953150650.db2.gz FAOHACCZGOOXFE-UKRRQHHQSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1nn(C)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001571224724 953150382 /nfs/dbraw/zinc/15/03/82/953150382.db2.gz FAOHACCZGOOXFE-ZFWWWQNUSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1nn(C)cc1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001571224724 953150379 /nfs/dbraw/zinc/15/03/79/953150379.db2.gz FAOHACCZGOOXFE-ZFWWWQNUSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ncn(C)c1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571224740 953150567 /nfs/dbraw/zinc/15/05/67/953150567.db2.gz FKTCMDAFCCZNRI-CYBMUJFWSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1ncn(C)c1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571224740 953150564 /nfs/dbraw/zinc/15/05/64/953150564.db2.gz FKTCMDAFCCZNRI-CYBMUJFWSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1ncn(C)c1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571224741 953150632 /nfs/dbraw/zinc/15/06/32/953150632.db2.gz FKTCMDAFCCZNRI-ZDUSSCGKSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1ncn(C)c1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571224741 953150629 /nfs/dbraw/zinc/15/06/29/953150629.db2.gz FKTCMDAFCCZNRI-ZDUSSCGKSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1ncn(C)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571224897 953151240 /nfs/dbraw/zinc/15/12/40/953151240.db2.gz GBNPEYCLKKLSAS-CHWSQXEVSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ncn(C)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571224897 953151239 /nfs/dbraw/zinc/15/12/39/953151239.db2.gz GBNPEYCLKKLSAS-CHWSQXEVSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ncn(C)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001571224898 953151406 /nfs/dbraw/zinc/15/14/06/953151406.db2.gz GBNPEYCLKKLSAS-OLZOCXBDSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ncn(C)c1C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001571224898 953151404 /nfs/dbraw/zinc/15/14/04/953151404.db2.gz GBNPEYCLKKLSAS-OLZOCXBDSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ncn(C)c1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571224899 953151376 /nfs/dbraw/zinc/15/13/76/953151376.db2.gz GBNPEYCLKKLSAS-QWHCGFSZSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ncn(C)c1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001571224899 953151375 /nfs/dbraw/zinc/15/13/75/953151375.db2.gz GBNPEYCLKKLSAS-QWHCGFSZSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ncn(C)c1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001571224900 953151382 /nfs/dbraw/zinc/15/13/82/953151382.db2.gz GBNPEYCLKKLSAS-STQMWFEESA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ncn(C)c1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001571224900 953151380 /nfs/dbraw/zinc/15/13/80/953151380.db2.gz GBNPEYCLKKLSAS-STQMWFEESA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1cnn(C)c1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571225189 953152301 /nfs/dbraw/zinc/15/23/01/953152301.db2.gz IKBSEJSTHIWNDB-CYBMUJFWSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1cnn(C)c1C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571225189 953152299 /nfs/dbraw/zinc/15/22/99/953152299.db2.gz IKBSEJSTHIWNDB-CYBMUJFWSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1cnn(C)c1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571225191 953151860 /nfs/dbraw/zinc/15/18/60/953151860.db2.gz IKBSEJSTHIWNDB-ZDUSSCGKSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1cnn(C)c1C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571225191 953151858 /nfs/dbraw/zinc/15/18/58/953151858.db2.gz IKBSEJSTHIWNDB-ZDUSSCGKSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](NC(=O)Cc3cnn(C)c3)[C@@H](O)C2)n1 ZINC001571225241 953153011 /nfs/dbraw/zinc/15/30/11/953153011.db2.gz IUPJTKUBRXBYAL-KGLIPLIRSA-N -1 3 383.416 -0.788 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](NC(=O)Cc3cnn(C)c3)[C@@H](O)C2)n1 ZINC001571225241 953153006 /nfs/dbraw/zinc/15/30/06/953153006.db2.gz IUPJTKUBRXBYAL-KGLIPLIRSA-N -1 3 383.416 -0.788 20 0 GBADHM Cc1ncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)n1C ZINC001571225284 953153122 /nfs/dbraw/zinc/15/31/22/953153122.db2.gz JIDVDHLRUXRCRK-CYBMUJFWSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1ncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)n1C ZINC001571225284 953153119 /nfs/dbraw/zinc/15/31/19/953153119.db2.gz JIDVDHLRUXRCRK-CYBMUJFWSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1ncc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)n1C ZINC001571225286 953152868 /nfs/dbraw/zinc/15/28/68/953152868.db2.gz JIDVDHLRUXRCRK-ZDUSSCGKSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1ncc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)n1C ZINC001571225286 953152865 /nfs/dbraw/zinc/15/28/65/953152865.db2.gz JIDVDHLRUXRCRK-ZDUSSCGKSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1cc(C)n(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)n1 ZINC001571225322 953152570 /nfs/dbraw/zinc/15/25/70/953152570.db2.gz JMYMOVSTJLKBSA-CABCVRRESA-N -1 3 383.416 -0.559 20 0 GBADHM Cc1cc(C)n(CC(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)n1 ZINC001571225322 953152566 /nfs/dbraw/zinc/15/25/66/953152566.db2.gz JMYMOVSTJLKBSA-CABCVRRESA-N -1 3 383.416 -0.559 20 0 GBADHM Cc1cc(C)n(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)n1 ZINC001571225325 953152595 /nfs/dbraw/zinc/15/25/95/953152595.db2.gz JMYMOVSTJLKBSA-HUUCEWRRSA-N -1 3 383.416 -0.559 20 0 GBADHM Cc1cc(C)n(CC(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)n1 ZINC001571225325 953152592 /nfs/dbraw/zinc/15/25/92/953152592.db2.gz JMYMOVSTJLKBSA-HUUCEWRRSA-N -1 3 383.416 -0.559 20 0 GBADHM Cc1ncn(C)c1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001571225375 953152942 /nfs/dbraw/zinc/15/29/42/953152942.db2.gz KCJCTEYJABRFSP-CYBMUJFWSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1ncn(C)c1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001571225375 953152939 /nfs/dbraw/zinc/15/29/39/953152939.db2.gz KCJCTEYJABRFSP-CYBMUJFWSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1ncn(C)c1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001571225576 953152544 /nfs/dbraw/zinc/15/25/44/953152544.db2.gz KCJCTEYJABRFSP-ZDUSSCGKSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1ncn(C)c1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001571225576 953152541 /nfs/dbraw/zinc/15/25/41/953152541.db2.gz KCJCTEYJABRFSP-ZDUSSCGKSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1cnn(CC(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571225596 953153917 /nfs/dbraw/zinc/15/39/17/953153917.db2.gz KUKKDPGAKCJWGM-LLVKDONJSA-N -1 3 383.416 -0.023 20 0 GBADHM Cc1cnn(CC(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571225596 953153914 /nfs/dbraw/zinc/15/39/14/953153914.db2.gz KUKKDPGAKCJWGM-LLVKDONJSA-N -1 3 383.416 -0.023 20 0 GBADHM Cc1cnn(CC(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1 ZINC001571225597 953153710 /nfs/dbraw/zinc/15/37/10/953153710.db2.gz KUKKDPGAKCJWGM-NSHDSACASA-N -1 3 383.416 -0.023 20 0 GBADHM Cc1cnn(CC(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1 ZINC001571225597 953153707 /nfs/dbraw/zinc/15/37/07/953153707.db2.gz KUKKDPGAKCJWGM-NSHDSACASA-N -1 3 383.416 -0.023 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)c3cncn3C)[C@H](O)C2)n1 ZINC001571225636 953153848 /nfs/dbraw/zinc/15/38/48/953153848.db2.gz LWTIWARJJGUSDE-GXTWGEPZSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)c3cncn3C)[C@H](O)C2)n1 ZINC001571225636 953153845 /nfs/dbraw/zinc/15/38/45/953153845.db2.gz LWTIWARJJGUSDE-GXTWGEPZSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)c3cncn3C)[C@@H](O)C2)n1 ZINC001571225637 953153651 /nfs/dbraw/zinc/15/36/51/953153651.db2.gz LWTIWARJJGUSDE-JSGCOSHPSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)c3cncn3C)[C@@H](O)C2)n1 ZINC001571225637 953153648 /nfs/dbraw/zinc/15/36/48/953153648.db2.gz LWTIWARJJGUSDE-JSGCOSHPSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)c3cncn3C)[C@@H](O)C2)n1 ZINC001571225638 953153668 /nfs/dbraw/zinc/15/36/68/953153668.db2.gz LWTIWARJJGUSDE-OCCSQVGLSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)c3cncn3C)[C@@H](O)C2)n1 ZINC001571225638 953153665 /nfs/dbraw/zinc/15/36/65/953153665.db2.gz LWTIWARJJGUSDE-OCCSQVGLSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)c3cncn3C)[C@H](O)C2)n1 ZINC001571225639 953153926 /nfs/dbraw/zinc/15/39/26/953153926.db2.gz LWTIWARJJGUSDE-TZMCWYRMSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)c3cncn3C)[C@H](O)C2)n1 ZINC001571225639 953153922 /nfs/dbraw/zinc/15/39/22/953153922.db2.gz LWTIWARJJGUSDE-TZMCWYRMSA-N -1 3 383.416 -0.327 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@H](CNC(=O)c3cnn(C)c3)C2)n1 ZINC001571225640 953153856 /nfs/dbraw/zinc/15/38/56/953153856.db2.gz LYZMBGKHOAABPR-CYBMUJFWSA-N -1 3 383.416 -0.061 20 0 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SVBAMMATWFKXNT-ZDUSSCGKSA-N -1 3 383.416 -0.061 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2C[C@H](NC(=O)c3cn(C)c(=O)n3C)C2)n1 ZINC001571226985 953157662 /nfs/dbraw/zinc/15/76/62/953157662.db2.gz YHEPOWKGJOBQAL-XYPYZODXSA-N -1 3 383.416 -0.020 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2C[C@H](NC(=O)c3cn(C)c(=O)n3C)C2)n1 ZINC001571226985 953157660 /nfs/dbraw/zinc/15/76/60/953157660.db2.gz YHEPOWKGJOBQAL-XYPYZODXSA-N -1 3 383.416 -0.020 20 0 GBADHM Cc1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@@H]2O)n1C ZINC001571227114 953158295 /nfs/dbraw/zinc/15/82/95/953158295.db2.gz ZCTNJGJDUVNSTG-OCCSQVGLSA-N -1 3 383.416 -0.408 20 0 GBADHM Cc1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@@H]2O)n1C ZINC001571227114 953158292 /nfs/dbraw/zinc/15/82/92/953158292.db2.gz ZCTNJGJDUVNSTG-OCCSQVGLSA-N -1 3 383.416 -0.408 20 0 GBADHM Cn1nccc1CC(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571227717 953159165 /nfs/dbraw/zinc/15/91/65/953159165.db2.gz AOPYDFQYSXSUKB-UHFFFAOYSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1nccc1CC(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571227717 953159164 /nfs/dbraw/zinc/15/91/64/953159164.db2.gz AOPYDFQYSXSUKB-UHFFFAOYSA-N -1 3 383.416 -0.108 20 0 GBADHM C[C@@H]1[C@H](NCc2nnnn2C2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571227720 953159114 /nfs/dbraw/zinc/15/91/14/953159114.db2.gz AQUMHVILAYPRQO-BXKDBHETSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@H]1[C@@H](NCc2nnnn2C2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571227721 953158886 /nfs/dbraw/zinc/15/88/86/953158886.db2.gz AQUMHVILAYPRQO-CABZTGNLSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@H]1[C@H](NCc2nnnn2C2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571227722 953159171 /nfs/dbraw/zinc/15/91/71/953159171.db2.gz AQUMHVILAYPRQO-JOYOIKCWSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@@H]1[C@@H](NCc2nnnn2C2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571227723 953158727 /nfs/dbraw/zinc/15/87/27/953158727.db2.gz AQUMHVILAYPRQO-SKDRFNHKSA-N -1 3 383.420 -0.091 20 0 GBADHM Cn1cc(C(=O)NC[C@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCO2)nn1 ZINC001571227733 953159068 /nfs/dbraw/zinc/15/90/68/953159068.db2.gz AUDSCNHAEHQVIY-AWEZNQCLSA-N -1 3 383.416 -0.374 20 0 GBADHM Cn1cc(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3)CCO2)nn1 ZINC001571227734 953159049 /nfs/dbraw/zinc/15/90/49/953159049.db2.gz AUDSCNHAEHQVIY-CQSZACIVSA-N -1 3 383.416 -0.374 20 0 GBADHM CN(CC1CCN(C(=O)Cc2nnc[nH]2)CC1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571227748 953159083 /nfs/dbraw/zinc/15/90/83/953159083.db2.gz BCQUWDSVQDJUTD-UHFFFAOYSA-N -1 3 383.420 -0.308 20 0 GBADHM CN(CC1CCN(C(=O)Cc2nnc[nH]2)CC1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571227748 953159080 /nfs/dbraw/zinc/15/90/80/953159080.db2.gz BCQUWDSVQDJUTD-UHFFFAOYSA-N -1 3 383.420 -0.308 20 0 GBADHM O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571227768 953158815 /nfs/dbraw/zinc/15/88/15/953158815.db2.gz BPUNPOKFUPQHOL-MDZLAQPJSA-N -1 3 383.416 -0.772 20 0 GBADHM O=C([C@@H]1CNC(=O)N1)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571227768 953158813 /nfs/dbraw/zinc/15/88/13/953158813.db2.gz BPUNPOKFUPQHOL-MDZLAQPJSA-N -1 3 383.416 -0.772 20 0 GBADHM O=C([C@H]1CNC(=O)N1)N1C[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001571227769 953159231 /nfs/dbraw/zinc/15/92/31/953159231.db2.gz BPUNPOKFUPQHOL-NTZNESFSSA-N -1 3 383.416 -0.772 20 0 GBADHM O=C([C@H]1CNC(=O)N1)N1C[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571227769 953159229 /nfs/dbraw/zinc/15/92/29/953159229.db2.gz BPUNPOKFUPQHOL-NTZNESFSSA-N -1 3 383.416 -0.772 20 0 GBADHM Cn1cncc1CC(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571227824 953160139 /nfs/dbraw/zinc/16/01/39/953160139.db2.gz COWDPGKYVCDOOE-UHFFFAOYSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1cncc1CC(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571227824 953160138 /nfs/dbraw/zinc/16/01/38/953160138.db2.gz COWDPGKYVCDOOE-UHFFFAOYSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1ccnc1CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571227837 953160049 /nfs/dbraw/zinc/16/00/49/953160049.db2.gz CSGRSMDOVMQPKT-LLVKDONJSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1ccnc1CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571227837 953160047 /nfs/dbraw/zinc/16/00/47/953160047.db2.gz CSGRSMDOVMQPKT-LLVKDONJSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1ccnc1CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571227838 953159799 /nfs/dbraw/zinc/15/97/99/953159799.db2.gz CSGRSMDOVMQPKT-NSHDSACASA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1ccnc1CCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571227838 953159796 /nfs/dbraw/zinc/15/97/96/953159796.db2.gz CSGRSMDOVMQPKT-NSHDSACASA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1ccc(CCC(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571227877 953161033 /nfs/dbraw/zinc/16/10/33/953161033.db2.gz DYRBQGAPPPHOJP-CYBMUJFWSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1ccc(CCC(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571227877 953161032 /nfs/dbraw/zinc/16/10/32/953161032.db2.gz DYRBQGAPPPHOJP-CYBMUJFWSA-N -1 3 383.416 -0.108 20 0 GBADHM CCCn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571227879 953160809 /nfs/dbraw/zinc/16/08/09/953160809.db2.gz FAQKGKVTPVIKIH-YABSGUDNSA-N -1 3 383.420 -0.549 20 0 GBADHM CCCn1nnnc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571227879 953160807 /nfs/dbraw/zinc/16/08/07/953160807.db2.gz FAQKGKVTPVIKIH-YABSGUDNSA-N -1 3 383.420 -0.549 20 0 GBADHM CN(C[C@H]1CCCCN1C(=O)c1nnn(C)n1)c1ccc(-c2nn[n-]n2)cn1 ZINC001571227984 953160933 /nfs/dbraw/zinc/16/09/33/953160933.db2.gz GCANPMQAQJKMSD-GFCCVEGCSA-N -1 3 383.420 -0.084 20 0 GBADHM CN(C[C@H]1CCCCN1C(=O)c1nnn(C)n1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571227984 953160931 /nfs/dbraw/zinc/16/09/31/953160931.db2.gz GCANPMQAQJKMSD-GFCCVEGCSA-N -1 3 383.420 -0.084 20 0 GBADHM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@@H]2CCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001571228052 953161803 /nfs/dbraw/zinc/16/18/03/953161803.db2.gz GYLOBLZOSXZCJA-JTQLQIEISA-N -1 3 383.420 -0.064 20 0 GBADHM CCc1nc(-c2nnn[n-]2)cc(N(C)C[C@H]2CCN(C(=O)c3nc[nH]n3)C2)n1 ZINC001571228053 953161936 /nfs/dbraw/zinc/16/19/36/953161936.db2.gz GYLOBLZOSXZCJA-SNVBAGLBSA-N -1 3 383.420 -0.064 20 0 GBADHM Cn1ccc(CC(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)n1 ZINC001571228063 953161471 /nfs/dbraw/zinc/16/14/71/953161471.db2.gz HFDRGMAKOMNOTC-KBPBESRZSA-N -1 3 383.416 -0.706 20 0 GBADHM Cn1ccc(CC(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)n1 ZINC001571228063 953161470 /nfs/dbraw/zinc/16/14/70/953161470.db2.gz HFDRGMAKOMNOTC-KBPBESRZSA-N -1 3 383.416 -0.706 20 0 GBADHM Cn1ccc(CC(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)n1 ZINC001571228064 953161406 /nfs/dbraw/zinc/16/14/06/953161406.db2.gz HFDRGMAKOMNOTC-KGLIPLIRSA-N -1 3 383.416 -0.706 20 0 GBADHM Cn1ccc(CC(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)n1 ZINC001571228064 953161403 /nfs/dbraw/zinc/16/14/03/953161403.db2.gz HFDRGMAKOMNOTC-KGLIPLIRSA-N -1 3 383.416 -0.706 20 0 GBADHM Cn1ccc(CC(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)n1 ZINC001571228065 953161398 /nfs/dbraw/zinc/16/13/98/953161398.db2.gz HFDRGMAKOMNOTC-UONOGXRCSA-N -1 3 383.416 -0.706 20 0 GBADHM Cn1ccc(CC(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)n1 ZINC001571228065 953161396 /nfs/dbraw/zinc/16/13/96/953161396.db2.gz HFDRGMAKOMNOTC-UONOGXRCSA-N -1 3 383.416 -0.706 20 0 GBADHM Cn1ccc(CC(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)n1 ZINC001571228066 953161932 /nfs/dbraw/zinc/16/19/32/953161932.db2.gz HFDRGMAKOMNOTC-ZIAGYGMSSA-N -1 3 383.416 -0.706 20 0 GBADHM Cn1ccc(CC(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)n1 ZINC001571228066 953161931 /nfs/dbraw/zinc/16/19/31/953161931.db2.gz HFDRGMAKOMNOTC-ZIAGYGMSSA-N -1 3 383.416 -0.706 20 0 GBADHM Cn1ccc(CC(=O)N2CCC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001571228067 953161585 /nfs/dbraw/zinc/16/15/85/953161585.db2.gz HGNMZMGHRWCXOY-UHFFFAOYSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1ccc(CC(=O)N2CCC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001571228067 953161582 /nfs/dbraw/zinc/16/15/82/953161582.db2.gz HGNMZMGHRWCXOY-UHFFFAOYSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1cncc1CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571228071 953161483 /nfs/dbraw/zinc/16/14/83/953161483.db2.gz HKQFGLZKOPPGFD-LBPRGKRZSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1cncc1CCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571228071 953161482 /nfs/dbraw/zinc/16/14/82/953161482.db2.gz HKQFGLZKOPPGFD-LBPRGKRZSA-N -1 3 383.416 -0.108 20 0 GBADHM CCc1nc(N[C@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571228101 953161838 /nfs/dbraw/zinc/16/18/38/953161838.db2.gz ILVSPANNJULFPI-JTQLQIEISA-N -1 3 383.420 -0.017 20 0 GBADHM CCc1nc(N[C@@H]2CCCN(C(=O)Cc3nnc[nH]3)C2)cc(-c2nnn[n-]2)n1 ZINC001571228102 953161849 /nfs/dbraw/zinc/16/18/49/953161849.db2.gz ILVSPANNJULFPI-SNVBAGLBSA-N -1 3 383.420 -0.017 20 0 GBADHM CN(C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571228118 953162467 /nfs/dbraw/zinc/16/24/67/953162467.db2.gz IUEAUAFGTRXUJE-LLVKDONJSA-N -1 3 383.420 -0.308 20 0 GBADHM CN(C[C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571228118 953162466 /nfs/dbraw/zinc/16/24/66/953162466.db2.gz IUEAUAFGTRXUJE-LLVKDONJSA-N -1 3 383.420 -0.308 20 0 GBADHM CN(C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571228119 953162491 /nfs/dbraw/zinc/16/24/91/953162491.db2.gz IUEAUAFGTRXUJE-NSHDSACASA-N -1 3 383.420 -0.308 20 0 GBADHM CN(C[C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1)c1cnc(-c2nnn[n-]2)cn1 ZINC001571228119 953162489 /nfs/dbraw/zinc/16/24/89/953162489.db2.gz IUEAUAFGTRXUJE-NSHDSACASA-N -1 3 383.420 -0.308 20 0 GBADHM C[C@@]1(CNc2ccc(-c3nn[n-]n3)nc2)CCN(C(=O)CCn2cnnn2)C1 ZINC001571228173 953162416 /nfs/dbraw/zinc/16/24/16/953162416.db2.gz JXVXGRXMSBZDLJ-INIZCTEOSA-N -1 3 383.420 -0.011 20 0 GBADHM C[C@@]1(CNc2ccc(-c3nnn[n-]3)nc2)CCN(C(=O)CCn2cnnn2)C1 ZINC001571228173 953162413 /nfs/dbraw/zinc/16/24/13/953162413.db2.gz JXVXGRXMSBZDLJ-INIZCTEOSA-N -1 3 383.420 -0.011 20 0 GBADHM C[C@]1(CNc2ccc(-c3nn[n-]n3)nc2)CCN(C(=O)CCn2cnnn2)C1 ZINC001571228174 953162390 /nfs/dbraw/zinc/16/23/90/953162390.db2.gz JXVXGRXMSBZDLJ-MRXNPFEDSA-N -1 3 383.420 -0.011 20 0 GBADHM C[C@]1(CNc2ccc(-c3nnn[n-]3)nc2)CCN(C(=O)CCn2cnnn2)C1 ZINC001571228174 953162389 /nfs/dbraw/zinc/16/23/89/953162389.db2.gz JXVXGRXMSBZDLJ-MRXNPFEDSA-N -1 3 383.420 -0.011 20 0 GBADHM Cn1cncc1CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571228190 953162233 /nfs/dbraw/zinc/16/22/33/953162233.db2.gz KMRSTRSTRGXLPE-LLVKDONJSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1cncc1CCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571228190 953162232 /nfs/dbraw/zinc/16/22/32/953162232.db2.gz KMRSTRSTRGXLPE-LLVKDONJSA-N -1 3 383.416 -0.108 20 0 GBADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001571228193 953163259 /nfs/dbraw/zinc/16/32/59/953163259.db2.gz KPDLUWAQNBCWCD-AAEUAGOBSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001571228193 953163257 /nfs/dbraw/zinc/16/32/57/953163257.db2.gz KPDLUWAQNBCWCD-AAEUAGOBSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001571228194 953163100 /nfs/dbraw/zinc/16/31/00/953163100.db2.gz KPDLUWAQNBCWCD-DGCLKSJQSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001571228194 953163096 /nfs/dbraw/zinc/16/30/96/953163096.db2.gz KPDLUWAQNBCWCD-DGCLKSJQSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001571228195 953163321 /nfs/dbraw/zinc/16/33/21/953163321.db2.gz KPDLUWAQNBCWCD-WCQYABFASA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001571228195 953163320 /nfs/dbraw/zinc/16/33/20/953163320.db2.gz KPDLUWAQNBCWCD-WCQYABFASA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001571228196 953163289 /nfs/dbraw/zinc/16/32/89/953163289.db2.gz KPDLUWAQNBCWCD-YPMHNXCESA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCN(C(=O)Cn2cnnn2)C1 ZINC001571228196 953163288 /nfs/dbraw/zinc/16/32/88/953163288.db2.gz KPDLUWAQNBCWCD-YPMHNXCESA-N -1 3 383.420 -0.013 20 0 GBADHM Cn1ccc(CN2CC3(C2)CN(C(=O)c2ccc(-c4nn[n-]n4)[nH]2)CCO3)n1 ZINC001571228205 953163294 /nfs/dbraw/zinc/16/32/94/953163294.db2.gz KQADSOQUHJAKJH-UHFFFAOYSA-N -1 3 383.416 -0.345 20 0 GBADHM Cn1ccc(CN2CC3(C2)CN(C(=O)c2ccc(-c4nnn[n-]4)[nH]2)CCO3)n1 ZINC001571228205 953163292 /nfs/dbraw/zinc/16/32/92/953163292.db2.gz KQADSOQUHJAKJH-UHFFFAOYSA-N -1 3 383.416 -0.345 20 0 GBADHM Cn1cncc1CC(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571228211 953163313 /nfs/dbraw/zinc/16/33/13/953163313.db2.gz KWKFWRYDBCCSIU-UHFFFAOYSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1cncc1CC(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571228211 953163311 /nfs/dbraw/zinc/16/33/11/953163311.db2.gz KWKFWRYDBCCSIU-UHFFFAOYSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1cnnc1[C@H](CO)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001571228227 953163243 /nfs/dbraw/zinc/16/32/43/953163243.db2.gz LHUZSQPRQAWVLX-KBPBESRZSA-N -1 3 383.416 -0.186 20 0 GBADHM Cn1cnnc1[C@@H](CO)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001571228228 953163104 /nfs/dbraw/zinc/16/31/04/953163104.db2.gz LHUZSQPRQAWVLX-KGLIPLIRSA-N -1 3 383.416 -0.186 20 0 GBADHM Cn1cnnc1[C@H](CO)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001571228229 953163020 /nfs/dbraw/zinc/16/30/20/953163020.db2.gz LHUZSQPRQAWVLX-UONOGXRCSA-N -1 3 383.416 -0.186 20 0 GBADHM Cn1cnnc1[C@@H](CO)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001571228230 953163026 /nfs/dbraw/zinc/16/30/26/953163026.db2.gz LHUZSQPRQAWVLX-ZIAGYGMSSA-N -1 3 383.416 -0.186 20 0 GBADHM CN(C[C@H]1CCN1Cc1nnnn1C1CC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571228247 953162890 /nfs/dbraw/zinc/16/28/90/953162890.db2.gz LRAWNBJNJNOYCB-GFCCVEGCSA-N -1 3 383.420 -0.137 20 0 GBADHM CN(C[C@H]1CCN1Cc1nnnn1C1CC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571228247 953162887 /nfs/dbraw/zinc/16/28/87/953162887.db2.gz 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CN(CC1CCN(C(=O)Cn2ncnn2)CC1)c1ccc(-c2nnn[n-]2)cn1 ZINC001571228510 953164315 /nfs/dbraw/zinc/16/43/15/953164315.db2.gz QFBBHWIWNALDKC-UHFFFAOYSA-N -1 3 383.420 -0.377 20 0 GBADHM Cn1cncc1CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571228598 953165454 /nfs/dbraw/zinc/16/54/54/953165454.db2.gz TXVLFQWUAZYFSW-AWEZNQCLSA-N -1 3 383.416 -0.123 20 0 GBADHM Cn1cncc1CC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571228598 953165453 /nfs/dbraw/zinc/16/54/53/953165453.db2.gz TXVLFQWUAZYFSW-AWEZNQCLSA-N -1 3 383.416 -0.123 20 0 GBADHM Cn1cncc1CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571228599 953165341 /nfs/dbraw/zinc/16/53/41/953165341.db2.gz TXVLFQWUAZYFSW-CQSZACIVSA-N -1 3 383.416 -0.123 20 0 GBADHM Cn1cncc1CC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571228599 953165338 /nfs/dbraw/zinc/16/53/38/953165338.db2.gz TXVLFQWUAZYFSW-CQSZACIVSA-N -1 3 383.416 -0.123 20 0 GBADHM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571228615 953166145 /nfs/dbraw/zinc/16/61/45/953166145.db2.gz UFUQZSOCJHGZLS-LLVKDONJSA-N -1 3 383.420 -0.233 20 0 GBADHM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571228615 953166141 /nfs/dbraw/zinc/16/61/41/953166141.db2.gz UFUQZSOCJHGZLS-LLVKDONJSA-N -1 3 383.420 -0.233 20 0 GBADHM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571228616 953166024 /nfs/dbraw/zinc/16/60/24/953166024.db2.gz UFUQZSOCJHGZLS-NSHDSACASA-N -1 3 383.420 -0.233 20 0 GBADHM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571228616 953166021 /nfs/dbraw/zinc/16/60/21/953166021.db2.gz UFUQZSOCJHGZLS-NSHDSACASA-N -1 3 383.420 -0.233 20 0 GBADHM O=C(Cc1ncc[nH]1)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571228621 953165760 /nfs/dbraw/zinc/16/57/60/953165760.db2.gz UGEYUDUUFRFATD-KRWDZBQOSA-N -1 3 383.416 -0.007 20 0 GBADHM O=C(Cc1ncc[nH]1)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571228621 953165758 /nfs/dbraw/zinc/16/57/58/953165758.db2.gz UGEYUDUUFRFATD-KRWDZBQOSA-N -1 3 383.416 -0.007 20 0 GBADHM O=C(Cc1ncc[nH]1)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571228622 953165898 /nfs/dbraw/zinc/16/58/98/953165898.db2.gz UGEYUDUUFRFATD-QGZVFWFLSA-N -1 3 383.416 -0.007 20 0 GBADHM O=C(Cc1ncc[nH]1)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571228622 953165897 /nfs/dbraw/zinc/16/58/97/953165897.db2.gz UGEYUDUUFRFATD-QGZVFWFLSA-N -1 3 383.416 -0.007 20 0 GBADHM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571228659 953166109 /nfs/dbraw/zinc/16/61/09/953166109.db2.gz VDVGIEKJQNBULG-BXUZGUMPSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571228659 953166108 /nfs/dbraw/zinc/16/61/08/953166108.db2.gz VDVGIEKJQNBULG-BXUZGUMPSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571228660 953166066 /nfs/dbraw/zinc/16/60/66/953166066.db2.gz VDVGIEKJQNBULG-FZMZJTMJSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571228660 953166065 /nfs/dbraw/zinc/16/60/65/953166065.db2.gz VDVGIEKJQNBULG-FZMZJTMJSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571228661 953166230 /nfs/dbraw/zinc/16/62/30/953166230.db2.gz VDVGIEKJQNBULG-RISCZKNCSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H]1CCCN(C(=O)Cn2ncnn2)[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571228661 953166227 /nfs/dbraw/zinc/16/62/27/953166227.db2.gz VDVGIEKJQNBULG-RISCZKNCSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001571228662 953166055 /nfs/dbraw/zinc/16/60/55/953166055.db2.gz VDVGIEKJQNBULG-SMDDNHRTSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H]1CCCN(C(=O)Cn2ncnn2)[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001571228662 953166054 /nfs/dbraw/zinc/16/60/54/953166054.db2.gz VDVGIEKJQNBULG-SMDDNHRTSA-N -1 3 383.420 -0.013 20 0 GBADHM Cn1cncc1CN1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001571228796 953167051 /nfs/dbraw/zinc/16/70/51/953167051.db2.gz VSEDQOULTHLNNM-GFCCVEGCSA-N -1 3 383.416 -0.298 20 0 GBADHM Cn1cncc1CN1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001571228796 953167049 /nfs/dbraw/zinc/16/70/49/953167049.db2.gz VSEDQOULTHLNNM-GFCCVEGCSA-N -1 3 383.416 -0.298 20 0 GBADHM Cn1cncc1CN1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001571228797 953166778 /nfs/dbraw/zinc/16/67/78/953166778.db2.gz VSEDQOULTHLNNM-LBPRGKRZSA-N -1 3 383.416 -0.298 20 0 GBADHM Cn1cncc1CN1CC2(C1)C[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001571228797 953166776 /nfs/dbraw/zinc/16/67/76/953166776.db2.gz VSEDQOULTHLNNM-LBPRGKRZSA-N -1 3 383.416 -0.298 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571228802 953166610 /nfs/dbraw/zinc/16/66/10/953166610.db2.gz VUKWYFLYPGHYMZ-NEPJUHHUSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571228802 953166607 /nfs/dbraw/zinc/16/66/07/953166607.db2.gz VUKWYFLYPGHYMZ-NEPJUHHUSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571228803 953166519 /nfs/dbraw/zinc/16/65/19/953166519.db2.gz VUKWYFLYPGHYMZ-NWDGAFQWSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571228803 953166517 /nfs/dbraw/zinc/16/65/17/953166517.db2.gz VUKWYFLYPGHYMZ-NWDGAFQWSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H](Nc1ncccc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571228804 953166893 /nfs/dbraw/zinc/16/68/93/953166893.db2.gz VUKWYFLYPGHYMZ-RYUDHWBXSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H](Nc1ncccc1-c1nnn[n-]1)[C@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571228804 953166890 /nfs/dbraw/zinc/16/68/90/953166890.db2.gz VUKWYFLYPGHYMZ-RYUDHWBXSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571228805 953167068 /nfs/dbraw/zinc/16/70/68/953167068.db2.gz VUKWYFLYPGHYMZ-VXGBXAGGSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@@H]1CCCN(C(=O)Cn2ncnn2)C1 ZINC001571228805 953167067 /nfs/dbraw/zinc/16/70/67/953167067.db2.gz VUKWYFLYPGHYMZ-VXGBXAGGSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(Cc2nnnn2C2CC2)C1 ZINC001571228810 953167078 /nfs/dbraw/zinc/16/70/78/953167078.db2.gz VVTVADZFVURSJW-SECBINFHSA-N -1 3 383.420 -0.234 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(Cc2nnnn2C2CC2)C1 ZINC001571228810 953167076 /nfs/dbraw/zinc/16/70/76/953167076.db2.gz VVTVADZFVURSJW-SECBINFHSA-N -1 3 383.420 -0.234 20 0 GBADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(Cc2nnnn2C2CC2)C1 ZINC001571228811 953166977 /nfs/dbraw/zinc/16/69/77/953166977.db2.gz VVTVADZFVURSJW-VIFPVBQESA-N -1 3 383.420 -0.234 20 0 GBADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(Cc2nnnn2C2CC2)C1 ZINC001571228811 953166974 /nfs/dbraw/zinc/16/69/74/953166974.db2.gz VVTVADZFVURSJW-VIFPVBQESA-N -1 3 383.420 -0.234 20 0 GBADHM Cn1cc(CC(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571228822 953167098 /nfs/dbraw/zinc/16/70/98/953167098.db2.gz VZJFMXSUYFHPGW-GSJFWJNXSA-N -1 3 383.416 -0.204 20 0 GBADHM Cn1cc(CC(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571228822 953167097 /nfs/dbraw/zinc/16/70/97/953167097.db2.gz VZJFMXSUYFHPGW-GSJFWJNXSA-N -1 3 383.416 -0.204 20 0 GBADHM Cn1cc(CC(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571228823 953167020 /nfs/dbraw/zinc/16/70/20/953167020.db2.gz VZJFMXSUYFHPGW-MJHDQNEOSA-N -1 3 383.416 -0.204 20 0 GBADHM Cn1cc(CC(=O)N[C@H]2C[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571228823 953167018 /nfs/dbraw/zinc/16/70/18/953167018.db2.gz VZJFMXSUYFHPGW-MJHDQNEOSA-N -1 3 383.416 -0.204 20 0 GBADHM CN(C[C@H]1CCN(C(=O)CCc2nnc[nH]2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571228836 953166599 /nfs/dbraw/zinc/16/65/99/953166599.db2.gz WIPHPWRSWGXLCV-LLVKDONJSA-N -1 3 383.420 -0.308 20 0 GBADHM CN(C[C@H]1CCN(C(=O)CCc2nnc[nH]2)C1)c1ccnc(-c2nnn[n-]2)n1 ZINC001571228836 953166598 /nfs/dbraw/zinc/16/65/98/953166598.db2.gz WIPHPWRSWGXLCV-LLVKDONJSA-N -1 3 383.420 -0.308 20 0 GBADHM CN(C[C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571228837 953166669 /nfs/dbraw/zinc/16/66/69/953166669.db2.gz WIPHPWRSWGXLCV-NSHDSACASA-N -1 3 383.420 -0.308 20 0 GBADHM CN(C[C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1)c1ccnc(-c2nnn[n-]2)n1 ZINC001571228837 953166666 /nfs/dbraw/zinc/16/66/66/953166666.db2.gz WIPHPWRSWGXLCV-NSHDSACASA-N -1 3 383.420 -0.308 20 0 GBADHM Cn1cc(CC(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571228846 953166913 /nfs/dbraw/zinc/16/69/13/953166913.db2.gz WLUWTMABEPZEQU-CYBMUJFWSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1cc(CC(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571228846 953166911 /nfs/dbraw/zinc/16/69/11/953166911.db2.gz WLUWTMABEPZEQU-CYBMUJFWSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1cc(CC(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cn1 ZINC001571228847 953166856 /nfs/dbraw/zinc/16/68/56/953166856.db2.gz WLUWTMABEPZEQU-ZDUSSCGKSA-N -1 3 383.416 -0.108 20 0 GBADHM Cn1cc(CC(=O)N2CCC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cn1 ZINC001571228847 953166853 /nfs/dbraw/zinc/16/68/53/953166853.db2.gz WLUWTMABEPZEQU-ZDUSSCGKSA-N -1 3 383.416 -0.108 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001571228867 953167063 /nfs/dbraw/zinc/16/70/63/953167063.db2.gz WZIBNVQQWHGWOC-LLVKDONJSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001571228867 953167062 /nfs/dbraw/zinc/16/70/62/953167062.db2.gz WZIBNVQQWHGWOC-LLVKDONJSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001571228868 953166660 /nfs/dbraw/zinc/16/66/60/953166660.db2.gz WZIBNVQQWHGWOC-NSHDSACASA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C1CCN(C(=O)Cn2cnnn2)CC1 ZINC001571228868 953166657 /nfs/dbraw/zinc/16/66/57/953166657.db2.gz WZIBNVQQWHGWOC-NSHDSACASA-N -1 3 383.420 -0.013 20 0 GBADHM Cn1cc(C(=O)N[C@@]2(C)CCN(c3ncccc3-c3nn[n-]n3)C2)n(C)c1=O ZINC001571228873 953167489 /nfs/dbraw/zinc/16/74/89/953167489.db2.gz XCYJWKCHHOJSTJ-KRWDZBQOSA-N -1 3 383.416 -0.302 20 0 GBADHM Cn1cc(C(=O)N[C@@]2(C)CCN(c3ncccc3-c3nnn[n-]3)C2)n(C)c1=O ZINC001571228873 953167484 /nfs/dbraw/zinc/16/74/84/953167484.db2.gz XCYJWKCHHOJSTJ-KRWDZBQOSA-N -1 3 383.416 -0.302 20 0 GBADHM Cn1cc(C(=O)N[C@]2(C)CCN(c3ncccc3-c3nn[n-]n3)C2)n(C)c1=O ZINC001571228874 953168033 /nfs/dbraw/zinc/16/80/33/953168033.db2.gz XCYJWKCHHOJSTJ-QGZVFWFLSA-N -1 3 383.416 -0.302 20 0 GBADHM Cn1cc(C(=O)N[C@]2(C)CCN(c3ncccc3-c3nnn[n-]3)C2)n(C)c1=O ZINC001571228874 953168032 /nfs/dbraw/zinc/16/80/32/953168032.db2.gz XCYJWKCHHOJSTJ-QGZVFWFLSA-N -1 3 383.416 -0.302 20 0 GBADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCN(Cc2nnnn2C2CC2)C1 ZINC001571228884 953167965 /nfs/dbraw/zinc/16/79/65/953167965.db2.gz XNQUYFZMRKYLQF-LLVKDONJSA-N -1 3 383.420 -0.137 20 0 GBADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCN(Cc2nnnn2C2CC2)C1 ZINC001571228884 953167962 /nfs/dbraw/zinc/16/79/62/953167962.db2.gz XNQUYFZMRKYLQF-LLVKDONJSA-N -1 3 383.420 -0.137 20 0 GBADHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCN(Cc2nnnn2C2CC2)C1 ZINC001571228985 953167897 /nfs/dbraw/zinc/16/78/97/953167897.db2.gz XNQUYFZMRKYLQF-NSHDSACASA-N -1 3 383.420 -0.137 20 0 GBADHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCN(Cc2nnnn2C2CC2)C1 ZINC001571228985 953167895 /nfs/dbraw/zinc/16/78/95/953167895.db2.gz XNQUYFZMRKYLQF-NSHDSACASA-N -1 3 383.420 -0.137 20 0 GBADHM Cn1nncc1C(=O)NC[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001571228991 953167859 /nfs/dbraw/zinc/16/78/59/953167859.db2.gz XWRGVAFEIUKIDH-CYBMUJFWSA-N -1 3 383.416 -0.374 20 0 GBADHM Cn1nncc1C(=O)NC[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001571228991 953167858 /nfs/dbraw/zinc/16/78/58/953167858.db2.gz XWRGVAFEIUKIDH-CYBMUJFWSA-N -1 3 383.416 -0.374 20 0 GBADHM Cn1nncc1C(=O)NC[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001571228992 953167623 /nfs/dbraw/zinc/16/76/23/953167623.db2.gz XWRGVAFEIUKIDH-ZDUSSCGKSA-N -1 3 383.416 -0.374 20 0 GBADHM Cn1nncc1C(=O)NC[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001571228992 953167617 /nfs/dbraw/zinc/16/76/17/953167617.db2.gz XWRGVAFEIUKIDH-ZDUSSCGKSA-N -1 3 383.416 -0.374 20 0 GBADHM CCn1nc(C)nc1NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571229072 953167947 /nfs/dbraw/zinc/16/79/47/953167947.db2.gz ZIYIGRRAVRSKCN-UHFFFAOYSA-N -1 3 383.420 -0.042 20 0 GBADHM CCn1nc(C)nc1NC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571229072 953167945 /nfs/dbraw/zinc/16/79/45/953167945.db2.gz ZIYIGRRAVRSKCN-UHFFFAOYSA-N -1 3 383.420 -0.042 20 0 GBADHM O=C(CCn1cnnn1)N1CC[C@@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571229365 953169336 /nfs/dbraw/zinc/16/93/36/953169336.db2.gz CTVFTTPGCRDQSF-GFCCVEGCSA-N -1 3 383.420 -0.011 20 0 GBADHM O=C(CCn1cnnn1)N1CC[C@@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571229365 953169334 /nfs/dbraw/zinc/16/93/34/953169334.db2.gz CTVFTTPGCRDQSF-GFCCVEGCSA-N -1 3 383.420 -0.011 20 0 GBADHM O=C(CCn1cnnn1)N1CC[C@H](CCNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571229366 953169218 /nfs/dbraw/zinc/16/92/18/953169218.db2.gz CTVFTTPGCRDQSF-LBPRGKRZSA-N -1 3 383.420 -0.011 20 0 GBADHM O=C(CCn1cnnn1)N1CC[C@H](CCNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571229366 953169217 /nfs/dbraw/zinc/16/92/17/953169217.db2.gz CTVFTTPGCRDQSF-LBPRGKRZSA-N -1 3 383.420 -0.011 20 0 GBADHM Cn1nnc(CNC2CC3(C2)CC(NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)n1 ZINC001571229371 953169301 /nfs/dbraw/zinc/16/93/01/953169301.db2.gz CXNRNLWRUWSQQX-UHFFFAOYSA-N -1 3 383.420 -0.451 20 0 GBADHM Cn1nnnc1CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571229420 953169959 /nfs/dbraw/zinc/16/99/59/953169959.db2.gz DVLZBJLZXWMUTP-ZBEGNZNMSA-N -1 3 383.420 -0.497 20 0 GBADHM Cn1nnnc1CN1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571229420 953169956 /nfs/dbraw/zinc/16/99/56/953169956.db2.gz DVLZBJLZXWMUTP-ZBEGNZNMSA-N -1 3 383.420 -0.497 20 0 GBADHM O=C(N[C@H]1CCCN(Cc2nnnn2C2CC2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571229428 953169753 /nfs/dbraw/zinc/16/97/53/953169753.db2.gz DYLDAPTTZRQWMF-NSHDSACASA-N -1 3 383.420 -0.089 20 0 GBADHM O=C(N[C@H]1CCCN(Cc2nnnn2C2CC2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571229428 953169750 /nfs/dbraw/zinc/16/97/50/953169750.db2.gz DYLDAPTTZRQWMF-NSHDSACASA-N -1 3 383.420 -0.089 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@]2(C)CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001571229446 953169774 /nfs/dbraw/zinc/16/97/74/953169774.db2.gz FPCNXOPYZDMMLC-INIZCTEOSA-N -1 3 383.420 -0.093 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@]2(C)CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001571229446 953169770 /nfs/dbraw/zinc/16/97/70/953169770.db2.gz FPCNXOPYZDMMLC-INIZCTEOSA-N -1 3 383.420 -0.093 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@]2(C)CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001571229447 953170023 /nfs/dbraw/zinc/17/00/23/953170023.db2.gz FPCNXOPYZDMMLC-MRXNPFEDSA-N -1 3 383.420 -0.093 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@]2(C)CCN(C(=O)Cn3ncnn3)C2)n1 ZINC001571229447 953170021 /nfs/dbraw/zinc/17/00/21/953170021.db2.gz FPCNXOPYZDMMLC-MRXNPFEDSA-N -1 3 383.420 -0.093 20 0 GBADHM Cc1nnc(CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]2C)[nH]1 ZINC001571229498 953170423 /nfs/dbraw/zinc/17/04/23/953170423.db2.gz GRPLMPICQLEXAR-GXSJLCMTSA-N -1 3 383.420 -0.201 20 0 GBADHM Cc1nnc(CC(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)[nH]1 ZINC001571229499 953170784 /nfs/dbraw/zinc/17/07/84/953170784.db2.gz GRPLMPICQLEXAR-KOLCDFICSA-N -1 3 383.420 -0.201 20 0 GBADHM Cc1nnc(CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@@H]2C)[nH]1 ZINC001571229500 953170738 /nfs/dbraw/zinc/17/07/38/953170738.db2.gz GRPLMPICQLEXAR-MWLCHTKSSA-N -1 3 383.420 -0.201 20 0 GBADHM Cc1nnc(CC(=O)N[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)[C@H]2C)[nH]1 ZINC001571229501 953170635 /nfs/dbraw/zinc/17/06/35/953170635.db2.gz GRPLMPICQLEXAR-ONGXEEELSA-N -1 3 383.420 -0.201 20 0 GBADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CCCN(Cc2nnnn2C2CC2)CC1 ZINC001571229519 953170447 /nfs/dbraw/zinc/17/04/47/953170447.db2.gz HOSOKVXUUNXEBP-UHFFFAOYSA-N -1 3 383.420 -0.136 20 0 GBADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CCCN(Cc2nnnn2C2CC2)CC1 ZINC001571229519 953170443 /nfs/dbraw/zinc/17/04/43/953170443.db2.gz HOSOKVXUUNXEBP-UHFFFAOYSA-N -1 3 383.420 -0.136 20 0 GBADHM Cn1nnnc1CN1C[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001571229668 953170540 /nfs/dbraw/zinc/17/05/40/953170540.db2.gz JDJREOBWAKUKTE-GXFFZTMASA-N -1 3 383.420 -0.545 20 0 GBADHM Cn1nnnc1CN1C[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001571229668 953170537 /nfs/dbraw/zinc/17/05/37/953170537.db2.gz JDJREOBWAKUKTE-GXFFZTMASA-N -1 3 383.420 -0.545 20 0 GBADHM Cn1nnc(CN[C@@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C23CCC3)n1 ZINC001571229671 953170828 /nfs/dbraw/zinc/17/08/28/953170828.db2.gz JEGVKUYRNARVJK-NEPJUHHUSA-N -1 3 383.420 -0.451 20 0 GBADHM Cn1nnc(CN[C@@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C23CCC3)n1 ZINC001571229671 953170826 /nfs/dbraw/zinc/17/08/26/953170826.db2.gz JEGVKUYRNARVJK-NEPJUHHUSA-N -1 3 383.420 -0.451 20 0 GBADHM Cn1nnc(CN[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C23CCC3)n1 ZINC001571229672 953170915 /nfs/dbraw/zinc/17/09/15/953170915.db2.gz JEGVKUYRNARVJK-NWDGAFQWSA-N -1 3 383.420 -0.451 20 0 GBADHM Cn1nnc(CN[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C23CCC3)n1 ZINC001571229672 953170912 /nfs/dbraw/zinc/17/09/12/953170912.db2.gz JEGVKUYRNARVJK-NWDGAFQWSA-N -1 3 383.420 -0.451 20 0 GBADHM Cn1nnc(CN[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C23CCC3)n1 ZINC001571229673 953170642 /nfs/dbraw/zinc/17/06/42/953170642.db2.gz JEGVKUYRNARVJK-RYUDHWBXSA-N -1 3 383.420 -0.451 20 0 GBADHM Cn1nnc(CN[C@H]2C[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C23CCC3)n1 ZINC001571229673 953170640 /nfs/dbraw/zinc/17/06/40/953170640.db2.gz JEGVKUYRNARVJK-RYUDHWBXSA-N -1 3 383.420 -0.451 20 0 GBADHM Cn1nnc(CN[C@@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C23CCC3)n1 ZINC001571229674 953170498 /nfs/dbraw/zinc/17/04/98/953170498.db2.gz JEGVKUYRNARVJK-VXGBXAGGSA-N -1 3 383.420 -0.451 20 0 GBADHM Cn1nnc(CN[C@@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C23CCC3)n1 ZINC001571229674 953170494 /nfs/dbraw/zinc/17/04/94/953170494.db2.gz JEGVKUYRNARVJK-VXGBXAGGSA-N -1 3 383.420 -0.451 20 0 GBADHM Cc1nc(NCC2CCN(C(=O)Cn3ncnn3)CC2)ccc1-c1nn[n-]n1 ZINC001571229676 953170665 /nfs/dbraw/zinc/17/06/65/953170665.db2.gz JHDQQSYIICMWRS-UHFFFAOYSA-N -1 3 383.420 -0.093 20 0 GBADHM Cc1nc(NCC2CCN(C(=O)Cn3ncnn3)CC2)ccc1-c1nnn[n-]1 ZINC001571229676 953170664 /nfs/dbraw/zinc/17/06/64/953170664.db2.gz JHDQQSYIICMWRS-UHFFFAOYSA-N -1 3 383.420 -0.093 20 0 GBADHM Cc1nnc(CC(=O)N2CC[C@@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571229679 953171402 /nfs/dbraw/zinc/17/14/02/953171402.db2.gz JMIFNEZWQRZVFM-GXSJLCMTSA-N -1 3 383.420 -0.025 20 0 GBADHM Cc1nnc(CC(=O)N2CC[C@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571229680 953171655 /nfs/dbraw/zinc/17/16/55/953171655.db2.gz JMIFNEZWQRZVFM-KOLCDFICSA-N -1 3 383.420 -0.025 20 0 GBADHM Cc1nnc(CC(=O)N2CC[C@@H]([C@@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571229681 953171461 /nfs/dbraw/zinc/17/14/61/953171461.db2.gz JMIFNEZWQRZVFM-MWLCHTKSSA-N -1 3 383.420 -0.025 20 0 GBADHM Cc1nnc(CC(=O)N2CC[C@H]([C@H](C)Nc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571229682 953171323 /nfs/dbraw/zinc/17/13/23/953171323.db2.gz JMIFNEZWQRZVFM-ONGXEEELSA-N -1 3 383.420 -0.025 20 0 GBADHM Cc1nnc(CC(=O)N2CC[C@@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571229685 953171493 /nfs/dbraw/zinc/17/14/93/953171493.db2.gz JSLDPQOYWZUXPB-INIZCTEOSA-N -1 3 383.420 -0.024 20 0 GBADHM Cc1nnc(CC(=O)N2CC[C@](C)(CNc3ccc(-c4nnn[n-]4)nn3)C2)[nH]1 ZINC001571229686 953171454 /nfs/dbraw/zinc/17/14/54/953171454.db2.gz JSLDPQOYWZUXPB-MRXNPFEDSA-N -1 3 383.420 -0.024 20 0 GBADHM Cc1nc(N[C@@H]2CN(C(=O)Cn3cnnn3)CC2(C)C)ccc1-c1nn[n-]n1 ZINC001571229735 953171593 /nfs/dbraw/zinc/17/15/93/953171593.db2.gz LPAFXVCMDIVILM-GFCCVEGCSA-N -1 3 383.420 -0.094 20 0 GBADHM Cc1nc(N[C@@H]2CN(C(=O)Cn3cnnn3)CC2(C)C)ccc1-c1nnn[n-]1 ZINC001571229735 953171591 /nfs/dbraw/zinc/17/15/91/953171591.db2.gz LPAFXVCMDIVILM-GFCCVEGCSA-N -1 3 383.420 -0.094 20 0 GBADHM Cc1nc(N[C@H]2CN(C(=O)Cn3cnnn3)CC2(C)C)ccc1-c1nn[n-]n1 ZINC001571229736 953171363 /nfs/dbraw/zinc/17/13/63/953171363.db2.gz LPAFXVCMDIVILM-LBPRGKRZSA-N -1 3 383.420 -0.094 20 0 GBADHM Cc1nc(N[C@H]2CN(C(=O)Cn3cnnn3)CC2(C)C)ccc1-c1nnn[n-]1 ZINC001571229736 953171360 /nfs/dbraw/zinc/17/13/60/953171360.db2.gz LPAFXVCMDIVILM-LBPRGKRZSA-N -1 3 383.420 -0.094 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCC[C@@H](NCc2nnnn2C2CC2)C1 ZINC001571229757 953171386 /nfs/dbraw/zinc/17/13/86/953171386.db2.gz MGDISGDJZIRNDZ-LLVKDONJSA-N -1 3 383.420 -0.089 20 0 GBADHM O=C(CCn1cnnn1)N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571229758 953172055 /nfs/dbraw/zinc/17/20/55/953172055.db2.gz MGGPXOVIJGJSHM-GFCCVEGCSA-N -1 3 383.420 -0.011 20 0 GBADHM O=C(CCn1cnnn1)N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571229758 953172052 /nfs/dbraw/zinc/17/20/52/953172052.db2.gz MGGPXOVIJGJSHM-GFCCVEGCSA-N -1 3 383.420 -0.011 20 0 GBADHM O=C(CCn1cnnn1)N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571229759 953172169 /nfs/dbraw/zinc/17/21/69/953172169.db2.gz MGGPXOVIJGJSHM-LBPRGKRZSA-N -1 3 383.420 -0.011 20 0 GBADHM O=C(CCn1cnnn1)N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571229759 953172168 /nfs/dbraw/zinc/17/21/68/953172168.db2.gz MGGPXOVIJGJSHM-LBPRGKRZSA-N -1 3 383.420 -0.011 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)c3nnn(C)n3)[C@@H]2C)n1 ZINC001571229760 953172245 /nfs/dbraw/zinc/17/22/45/953172245.db2.gz MGGYYGWOKYGSNQ-CMPLNLGQSA-N -1 3 383.420 -0.119 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)c3nnn(C)n3)[C@@H]2C)n1 ZINC001571229760 953172244 /nfs/dbraw/zinc/17/22/44/953172244.db2.gz MGGYYGWOKYGSNQ-CMPLNLGQSA-N -1 3 383.420 -0.119 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)c3nnn(C)n3)[C@@H]2C)n1 ZINC001571229761 953171885 /nfs/dbraw/zinc/17/18/85/953171885.db2.gz MGGYYGWOKYGSNQ-JQWIXIFHSA-N -1 3 383.420 -0.119 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)c3nnn(C)n3)[C@@H]2C)n1 ZINC001571229761 953171883 /nfs/dbraw/zinc/17/18/83/953171883.db2.gz MGGYYGWOKYGSNQ-JQWIXIFHSA-N -1 3 383.420 -0.119 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)c3nnn(C)n3)[C@H]2C)n1 ZINC001571229762 953172198 /nfs/dbraw/zinc/17/21/98/953172198.db2.gz MGGYYGWOKYGSNQ-PWSUYJOCSA-N -1 3 383.420 -0.119 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)c3nnn(C)n3)[C@H]2C)n1 ZINC001571229762 953172197 /nfs/dbraw/zinc/17/21/97/953172197.db2.gz MGGYYGWOKYGSNQ-PWSUYJOCSA-N -1 3 383.420 -0.119 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)c3nnn(C)n3)[C@H]2C)n1 ZINC001571229763 953172036 /nfs/dbraw/zinc/17/20/36/953172036.db2.gz MGGYYGWOKYGSNQ-ZYHUDNBSSA-N -1 3 383.420 -0.119 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)c3nnn(C)n3)[C@H]2C)n1 ZINC001571229763 953172032 /nfs/dbraw/zinc/17/20/32/953172032.db2.gz MGGYYGWOKYGSNQ-ZYHUDNBSSA-N -1 3 383.420 -0.119 20 0 GBADHM O=C(NC1CCN(Cc2nnnn2C2CC2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571229794 953171949 /nfs/dbraw/zinc/17/19/49/953171949.db2.gz NQKHSLFZPQZPKO-UHFFFAOYSA-N -1 3 383.420 -0.089 20 0 GBADHM O=C(NC1CCN(Cc2nnnn2C2CC2)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571229794 953171948 /nfs/dbraw/zinc/17/19/48/953171948.db2.gz NQKHSLFZPQZPKO-UHFFFAOYSA-N -1 3 383.420 -0.089 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC(N(C)C(=O)Cn3ncnn3)CC2)n1 ZINC001571229836 953172176 /nfs/dbraw/zinc/17/21/76/953172176.db2.gz OVGDUXIXFXJPKC-UHFFFAOYSA-N -1 3 383.420 -0.316 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC(N(C)C(=O)Cn3ncnn3)CC2)n1 ZINC001571229836 953172174 /nfs/dbraw/zinc/17/21/74/953172174.db2.gz OVGDUXIXFXJPKC-UHFFFAOYSA-N -1 3 383.420 -0.316 20 0 GBADHM Cn1nnc(CN2C[C@@H]3CCC[C@]3(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571229844 953173212 /nfs/dbraw/zinc/17/32/12/953173212.db2.gz PERCOEKLCONKKM-ZBEGNZNMSA-N -1 3 383.420 -0.497 20 0 GBADHM Cn1nnc(CN2C[C@@H]3CCC[C@]3(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571229844 953173209 /nfs/dbraw/zinc/17/32/09/953173209.db2.gz PERCOEKLCONKKM-ZBEGNZNMSA-N -1 3 383.420 -0.497 20 0 GBADHM Cn1nnc(CN2CCCC3(CN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C3)C2)n1 ZINC001571229845 953173058 /nfs/dbraw/zinc/17/30/58/953173058.db2.gz PEVZYQIJGLPGTI-UHFFFAOYSA-N -1 3 383.420 -0.544 20 0 GBADHM Cn1nnc(CN2CCCC3(CN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C3)C2)n1 ZINC001571229845 953173057 /nfs/dbraw/zinc/17/30/57/953173057.db2.gz PEVZYQIJGLPGTI-UHFFFAOYSA-N -1 3 383.420 -0.544 20 0 GBADHM Cc1nnc(CC(=O)N2CCC[C@@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001571229851 953172701 /nfs/dbraw/zinc/17/27/01/953172701.db2.gz PIUWCLJCXXLRCH-LLVKDONJSA-N -1 3 383.420 -0.247 20 0 GBADHM Cc1nnc(CC(=O)N2CCC[C@H]2CN(C)c2ccc(-c3nnn[n-]3)nn2)[nH]1 ZINC001571229852 953172767 /nfs/dbraw/zinc/17/27/67/953172767.db2.gz PIUWCLJCXXLRCH-NSHDSACASA-N -1 3 383.420 -0.247 20 0 GBADHM C[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571229979 953173050 /nfs/dbraw/zinc/17/30/50/953173050.db2.gz PZURBAGNLYWELG-NEPJUHHUSA-N -1 3 383.420 -0.013 20 0 GBADHM C[C@@H]1CCN(C(=O)Cn2cnnn2)[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571229979 953173049 /nfs/dbraw/zinc/17/30/49/953173049.db2.gz PZURBAGNLYWELG-NEPJUHHUSA-N -1 3 383.420 -0.013 20 0 GBADHM Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C)n1 ZINC001571229995 953172858 /nfs/dbraw/zinc/17/28/58/953172858.db2.gz QMEBWESJBGHHLP-MWLCHTKSSA-N -1 3 383.420 -0.168 20 0 GBADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CN(C(=O)Cc3nnc[nH]3)C[C@H]2C)n1 ZINC001571229995 953172850 /nfs/dbraw/zinc/17/28/50/953172850.db2.gz QMEBWESJBGHHLP-MWLCHTKSSA-N -1 3 383.420 -0.168 20 0 GBADHM Cc1nc(NC[C@@H]2CCC[C@@H]2NC(=O)Cn2cnnn2)ccc1-c1nn[n-]n1 ZINC001571230161 953174548 /nfs/dbraw/zinc/17/45/48/953174548.db2.gz STACFFMCLXDKPS-AAEUAGOBSA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@@H]2CCC[C@@H]2NC(=O)Cn2cnnn2)ccc1-c1nnn[n-]1 ZINC001571230161 953174545 /nfs/dbraw/zinc/17/45/45/953174545.db2.gz STACFFMCLXDKPS-AAEUAGOBSA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@H]2CCC[C@H]2NC(=O)Cn2cnnn2)ccc1-c1nn[n-]n1 ZINC001571230162 953174165 /nfs/dbraw/zinc/17/41/65/953174165.db2.gz STACFFMCLXDKPS-DGCLKSJQSA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@H]2CCC[C@H]2NC(=O)Cn2cnnn2)ccc1-c1nnn[n-]1 ZINC001571230162 953174164 /nfs/dbraw/zinc/17/41/64/953174164.db2.gz STACFFMCLXDKPS-DGCLKSJQSA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@@H]2CCC[C@H]2NC(=O)Cn2cnnn2)ccc1-c1nn[n-]n1 ZINC001571230163 953174556 /nfs/dbraw/zinc/17/45/56/953174556.db2.gz STACFFMCLXDKPS-WCQYABFASA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@@H]2CCC[C@H]2NC(=O)Cn2cnnn2)ccc1-c1nnn[n-]1 ZINC001571230163 953174554 /nfs/dbraw/zinc/17/45/54/953174554.db2.gz STACFFMCLXDKPS-WCQYABFASA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@H]2CCC[C@@H]2NC(=O)Cn2cnnn2)ccc1-c1nn[n-]n1 ZINC001571230164 953174419 /nfs/dbraw/zinc/17/44/19/953174419.db2.gz STACFFMCLXDKPS-YPMHNXCESA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@H]2CCC[C@@H]2NC(=O)Cn2cnnn2)ccc1-c1nnn[n-]1 ZINC001571230164 953174416 /nfs/dbraw/zinc/17/44/16/953174416.db2.gz STACFFMCLXDKPS-YPMHNXCESA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nn[nH]c1C(=O)NC[C@@H]1CN(c2nc(C)cc(-c3nnn[n-]3)n2)C[C@H]1C ZINC001571230197 953174602 /nfs/dbraw/zinc/17/46/02/953174602.db2.gz UAYBOHLKRCLJDC-LDYMZIIASA-N -1 3 383.420 -0.106 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(NCC2CCN(C(=O)Cn3cnnn3)CC2)n1 ZINC001571230317 953176349 /nfs/dbraw/zinc/17/63/49/953176349.db2.gz UWDDSGJNABMYMJ-UHFFFAOYSA-N -1 3 383.420 -0.093 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(NCC2CCN(C(=O)Cn3cnnn3)CC2)n1 ZINC001571230317 953176348 /nfs/dbraw/zinc/17/63/48/953176348.db2.gz UWDDSGJNABMYMJ-UHFFFAOYSA-N -1 3 383.420 -0.093 20 0 GBADHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)NC[C@@]1(OCCO)CCOC1 ZINC001571230369 953176240 /nfs/dbraw/zinc/17/62/40/953176240.db2.gz WNYSMMCBYWAUAI-HNNXBMFYSA-N -1 3 383.430 -0.379 20 0 GBADHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)NC[C@@]1(OCCO)CCOC1 ZINC001571230369 953176237 /nfs/dbraw/zinc/17/62/37/953176237.db2.gz WNYSMMCBYWAUAI-HNNXBMFYSA-N -1 3 383.430 -0.379 20 0 GBADHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)NC[C@]1(OCCO)CCOC1 ZINC001571230370 953176754 /nfs/dbraw/zinc/17/67/54/953176754.db2.gz WNYSMMCBYWAUAI-OAHLLOKOSA-N -1 3 383.430 -0.379 20 0 GBADHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)NC[C@]1(OCCO)CCOC1 ZINC001571230370 953176750 /nfs/dbraw/zinc/17/67/50/953176750.db2.gz WNYSMMCBYWAUAI-OAHLLOKOSA-N -1 3 383.430 -0.379 20 0 GBADHM Cc1nc(NC[C@@H]2CC[C@H](NC(=O)Cn3ncnn3)C2)ccc1-c1nn[n-]n1 ZINC001571230543 953178391 /nfs/dbraw/zinc/17/83/91/953178391.db2.gz XMGSUXGCTCHRLB-NEPJUHHUSA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@@H]2CC[C@H](NC(=O)Cn3ncnn3)C2)ccc1-c1nnn[n-]1 ZINC001571230543 953178388 /nfs/dbraw/zinc/17/83/88/953178388.db2.gz XMGSUXGCTCHRLB-NEPJUHHUSA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@H]2CC[C@@H](NC(=O)Cn3ncnn3)C2)ccc1-c1nn[n-]n1 ZINC001571230545 953178384 /nfs/dbraw/zinc/17/83/84/953178384.db2.gz XMGSUXGCTCHRLB-NWDGAFQWSA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@H]2CC[C@@H](NC(=O)Cn3ncnn3)C2)ccc1-c1nnn[n-]1 ZINC001571230545 953178383 /nfs/dbraw/zinc/17/83/83/953178383.db2.gz XMGSUXGCTCHRLB-NWDGAFQWSA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@H]2CC[C@H](NC(=O)Cn3ncnn3)C2)ccc1-c1nn[n-]n1 ZINC001571230547 953178109 /nfs/dbraw/zinc/17/81/09/953178109.db2.gz XMGSUXGCTCHRLB-RYUDHWBXSA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@H]2CC[C@H](NC(=O)Cn3ncnn3)C2)ccc1-c1nnn[n-]1 ZINC001571230547 953178105 /nfs/dbraw/zinc/17/81/05/953178105.db2.gz XMGSUXGCTCHRLB-RYUDHWBXSA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@@H]2CC[C@@H](NC(=O)Cn3ncnn3)C2)ccc1-c1nn[n-]n1 ZINC001571230549 953177880 /nfs/dbraw/zinc/17/78/80/953177880.db2.gz XMGSUXGCTCHRLB-VXGBXAGGSA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nc(NC[C@@H]2CC[C@@H](NC(=O)Cn3ncnn3)C2)ccc1-c1nnn[n-]1 ZINC001571230549 953177876 /nfs/dbraw/zinc/17/78/76/953177876.db2.gz XMGSUXGCTCHRLB-VXGBXAGGSA-N -1 3 383.420 -0.046 20 0 GBADHM Cc1nnc(CC(=O)N2CCC(CNc3cnc(-c4nnn[n-]4)cn3)CC2)[nH]1 ZINC001571230551 953178084 /nfs/dbraw/zinc/17/80/84/953178084.db2.gz XMHWYEJBAZUQCK-UHFFFAOYSA-N -1 3 383.420 -0.024 20 0 GBADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001571231039 953182607 /nfs/dbraw/zinc/18/26/07/953182607.db2.gz QSQIPMCFDZZGCJ-AWEZNQCLSA-N -1 3 383.455 -0.375 20 0 GBADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC[C@@]1(O)CCS(=O)(=O)C1 ZINC001571231039 953182604 /nfs/dbraw/zinc/18/26/04/953182604.db2.gz QSQIPMCFDZZGCJ-AWEZNQCLSA-N -1 3 383.455 -0.375 20 0 GBADHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001571231040 953182507 /nfs/dbraw/zinc/18/25/07/953182507.db2.gz QSQIPMCFDZZGCJ-CQSZACIVSA-N -1 3 383.455 -0.375 20 0 GBADHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NC[C@]1(O)CCS(=O)(=O)C1 ZINC001571231040 953182506 /nfs/dbraw/zinc/18/25/06/953182506.db2.gz QSQIPMCFDZZGCJ-CQSZACIVSA-N -1 3 383.455 -0.375 20 0 GBADHM Nc1sc2c(c1-c1nn[n-]n1)CCN(C(=O)CN1CCCS1(=O)=O)C2 ZINC001571232740 953189244 /nfs/dbraw/zinc/18/92/44/953189244.db2.gz KJJUYTNMUZWPPT-UHFFFAOYSA-N -1 3 383.459 -0.569 20 0 GBADHM Nc1sc2c(c1-c1nnn[n-]1)CCN(C(=O)CN1CCCS1(=O)=O)C2 ZINC001571232740 953189242 /nfs/dbraw/zinc/18/92/42/953189242.db2.gz KJJUYTNMUZWPPT-UHFFFAOYSA-N -1 3 383.459 -0.569 20 0 GBADHM Cc1nsc(N[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C2)c1-c1nnn[n-]1 ZINC001571233102 953190968 /nfs/dbraw/zinc/19/09/68/953190968.db2.gz OLCPUUSKAAEUER-VIFPVBQESA-N -1 3 383.459 -0.311 20 0 GBADHM COC(=O)c1cc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)no1 ZINC001571234620 953203632 /nfs/dbraw/zinc/20/36/32/953203632.db2.gz DHOCRIMONFOTHH-UHFFFAOYSA-N -1 3 384.356 -0.001 20 0 GBADHM COC(=O)c1cc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)no1 ZINC001571234620 953203630 /nfs/dbraw/zinc/20/36/30/953203630.db2.gz DHOCRIMONFOTHH-UHFFFAOYSA-N -1 3 384.356 -0.001 20 0 GBADHM COc1nc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)co1 ZINC001571234630 953203969 /nfs/dbraw/zinc/20/39/69/953203969.db2.gz DSLRVIADBSSDOH-JDICNCQASA-N -1 3 384.356 -0.308 20 0 GBADHM COc1nc(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)co1 ZINC001571234630 953203965 /nfs/dbraw/zinc/20/39/65/953203965.db2.gz DSLRVIADBSSDOH-JDICNCQASA-N -1 3 384.356 -0.308 20 0 GBADHM CCN1CCN(C2CN(S(=O)(=O)c3ccsc3-c3nnn[n-]3)C2)CC1 ZINC001571234683 953204590 /nfs/dbraw/zinc/20/45/90/953204590.db2.gz FUKCTPZISZVQDZ-UHFFFAOYSA-N -1 3 383.503 -0.061 20 0 GBADHM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571234765 953205406 /nfs/dbraw/zinc/20/54/06/953205406.db2.gz IEAKYOLKQKILIL-JTQLQIEISA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571234765 953205404 /nfs/dbraw/zinc/20/54/04/953205404.db2.gz IEAKYOLKQKILIL-JTQLQIEISA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1cccc(-c2nn[n-]n2)c1Cl ZINC001571234766 953205362 /nfs/dbraw/zinc/20/53/62/953205362.db2.gz IEAKYOLKQKILIL-SNVBAGLBSA-N -1 3 383.865 -0.202 20 0 GBADHM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1cccc(-c2nnn[n-]2)c1Cl ZINC001571234766 953205359 /nfs/dbraw/zinc/20/53/59/953205359.db2.gz IEAKYOLKQKILIL-SNVBAGLBSA-N -1 3 383.865 -0.202 20 0 GBADHM O=C(c1cnc[nH]c1=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571235009 953208123 /nfs/dbraw/zinc/20/81/23/953208123.db2.gz PMZZGDYVTKGVHG-SECBINFHSA-N -1 3 384.360 -0.895 20 0 GBADHM O=C(c1cnc[nH]c1=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571235010 953207889 /nfs/dbraw/zinc/20/78/89/953207889.db2.gz PMZZGDYVTKGVHG-VIFPVBQESA-N -1 3 384.360 -0.895 20 0 GBADHM COC(=O)c1cc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)no1 ZINC001571235016 953208103 /nfs/dbraw/zinc/20/81/03/953208103.db2.gz PSGUGCXFJIPEAG-UHFFFAOYSA-N -1 3 384.356 -0.001 20 0 GBADHM COC(=O)c1cc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)no1 ZINC001571235016 953208101 /nfs/dbraw/zinc/20/81/01/953208101.db2.gz PSGUGCXFJIPEAG-UHFFFAOYSA-N -1 3 384.356 -0.001 20 0 GBADHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 ZINC001571235094 953208548 /nfs/dbraw/zinc/20/85/48/953208548.db2.gz SLENHLAQWZKSQS-SECBINFHSA-N -1 3 384.360 -0.139 20 0 GBADHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 ZINC001571235095 953208613 /nfs/dbraw/zinc/20/86/13/953208613.db2.gz SLENHLAQWZKSQS-VIFPVBQESA-N -1 3 384.360 -0.139 20 0 GBADHM COc1ccc(NC(=O)NCc2nnc3n2CCNC3=O)cc1-c1nn[n-]n1 ZINC001571235156 953209254 /nfs/dbraw/zinc/20/92/54/953209254.db2.gz VGJVRXXNVLOKLL-UHFFFAOYSA-N -1 3 384.360 -0.468 20 0 GBADHM COc1ccc(NC(=O)NCc2nnc3n2CCNC3=O)cc1-c1nnn[n-]1 ZINC001571235156 953209251 /nfs/dbraw/zinc/20/92/51/953209251.db2.gz VGJVRXXNVLOKLL-UHFFFAOYSA-N -1 3 384.360 -0.468 20 0 GBADHM CN(C)Cc1cccc(C(=O)NCCn2cc(-c3nnn[n-]3)c(=O)[nH]c2=O)c1 ZINC001571235396 953212146 /nfs/dbraw/zinc/21/21/46/953212146.db2.gz CJYUAJKXFXYIOH-UHFFFAOYSA-N -1 3 384.400 -0.379 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O)c1ccnnc1 ZINC001571235416 953212181 /nfs/dbraw/zinc/21/21/81/953212181.db2.gz CWJSYCMCHYYXGO-CABCVRRESA-N -1 3 384.375 -0.229 20 0 GBADHM O=C(N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O)c1ccnnc1 ZINC001571235416 953212180 /nfs/dbraw/zinc/21/21/80/953212180.db2.gz CWJSYCMCHYYXGO-CABCVRRESA-N -1 3 384.375 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COc1ncccc1CN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001571236688 953218695 /nfs/dbraw/zinc/21/86/95/953218695.db2.gz BIFVMXYSHPSTIE-KGLIPLIRSA-N -1 3 384.400 -0.427 20 0 GBADHM COc1ncccc1CN1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001571236688 953218692 /nfs/dbraw/zinc/21/86/92/953218692.db2.gz BIFVMXYSHPSTIE-KGLIPLIRSA-N -1 3 384.400 -0.427 20 0 GBADHM O=C(CN1CCCC1=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001571236694 953219039 /nfs/dbraw/zinc/21/90/39/953219039.db2.gz BOTKKGJUTIUSLP-HBYGRHMLSA-N -1 3 384.400 -0.996 20 0 GBADHM O=C(CN1CCCC1=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001571236694 953219038 /nfs/dbraw/zinc/21/90/38/953219038.db2.gz BOTKKGJUTIUSLP-HBYGRHMLSA-N -1 3 384.400 -0.996 20 0 GBADHM Cc1ncc(CC(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]2O)o1 ZINC001571236712 953219138 /nfs/dbraw/zinc/21/91/38/953219138.db2.gz BULPCCCNGYRJKE-ZIAGYGMSSA-N -1 3 384.400 -0.225 20 0 GBADHM Cc1ncc(CC(=O)N[C@@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]2O)o1 ZINC001571236712 953219136 /nfs/dbraw/zinc/21/91/36/953219136.db2.gz BULPCCCNGYRJKE-ZIAGYGMSSA-N -1 3 384.400 -0.225 20 0 GBADHM CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)nn1 ZINC001571236717 953218833 /nfs/dbraw/zinc/21/88/33/953218833.db2.gz CCYWHJUBXFYMIM-BXKDBHETSA-N -1 3 384.404 -0.303 20 0 GBADHM CCn1cc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)nn1 ZINC001571236717 953218831 /nfs/dbraw/zinc/21/88/31/953218831.db2.gz CCYWHJUBXFYMIM-BXKDBHETSA-N -1 3 384.404 -0.303 20 0 GBADHM COc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571236728 953219160 /nfs/dbraw/zinc/21/91/60/953219160.db2.gz CFMYVCCZDLSAGL-ZIAGYGMSSA-N -1 3 384.400 -0.427 20 0 GBADHM COc1cccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571236728 953219159 /nfs/dbraw/zinc/21/91/59/953219159.db2.gz CFMYVCCZDLSAGL-ZIAGYGMSSA-N -1 3 384.400 -0.427 20 0 GBADHM CC(=O)N1CCC[C@@H](n2cc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)nn2)C1 ZINC001571236732 953219059 /nfs/dbraw/zinc/21/90/59/953219059.db2.gz CLMVEEQAAWUEAD-CYBMUJFWSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N1CCC[C@@H](n2cc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)nn2)C1 ZINC001571236732 953219057 /nfs/dbraw/zinc/21/90/57/953219057.db2.gz CLMVEEQAAWUEAD-CYBMUJFWSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N1CCC[C@H](n2cc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)nn2)C1 ZINC001571236733 953219089 /nfs/dbraw/zinc/21/90/89/953219089.db2.gz CLMVEEQAAWUEAD-ZDUSSCGKSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N1CCC[C@H](n2cc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)nn2)C1 ZINC001571236733 953219088 /nfs/dbraw/zinc/21/90/88/953219088.db2.gz CLMVEEQAAWUEAD-ZDUSSCGKSA-N -1 3 384.404 -0.100 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001571236883 953218683 /nfs/dbraw/zinc/21/86/83/953218683.db2.gz CMZYYFXISKELKU-BXUZGUMPSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001571236883 953218679 /nfs/dbraw/zinc/21/86/79/953218679.db2.gz CMZYYFXISKELKU-BXUZGUMPSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001571236887 953219132 /nfs/dbraw/zinc/21/91/32/953219132.db2.gz CMZYYFXISKELKU-FZMZJTMJSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001571236887 953219130 /nfs/dbraw/zinc/21/91/30/953219130.db2.gz CMZYYFXISKELKU-FZMZJTMJSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001571236890 953218942 /nfs/dbraw/zinc/21/89/42/953218942.db2.gz CMZYYFXISKELKU-RISCZKNCSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001571236890 953218940 /nfs/dbraw/zinc/21/89/40/953218940.db2.gz CMZYYFXISKELKU-RISCZKNCSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001571236892 953219065 /nfs/dbraw/zinc/21/90/65/953219065.db2.gz CMZYYFXISKELKU-SMDDNHRTSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001571236892 953219064 /nfs/dbraw/zinc/21/90/64/953219064.db2.gz CMZYYFXISKELKU-SMDDNHRTSA-N -1 3 384.400 -0.163 20 0 GBADHM CCn1ncc(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571236897 953218988 /nfs/dbraw/zinc/21/89/88/953218988.db2.gz CTTVUJDGHROVTL-MGCOHNPYSA-N -1 3 384.404 -0.255 20 0 GBADHM CCn1ncc(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571236897 953218985 /nfs/dbraw/zinc/21/89/85/953218985.db2.gz CTTVUJDGHROVTL-MGCOHNPYSA-N -1 3 384.404 -0.255 20 0 GBADHM CCn1ncc(C(=O)N(C)C2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571236952 953219849 /nfs/dbraw/zinc/21/98/49/953219849.db2.gz DGNUKCURFBPPMS-UHFFFAOYSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1ncc(C(=O)N(C)C2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571236952 953219846 /nfs/dbraw/zinc/21/98/46/953219846.db2.gz DGNUKCURFBPPMS-UHFFFAOYSA-N -1 3 384.404 -0.161 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001571236966 953219945 /nfs/dbraw/zinc/21/99/45/953219945.db2.gz DIWUKPNWPUJMEF-IRUJWGPZSA-N -1 3 384.400 -0.854 20 0 GBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@@H]2CN(C(=O)[C@H]3CCC(=O)N3)[C@@H]2C1 ZINC001571236966 953219942 /nfs/dbraw/zinc/21/99/42/953219942.db2.gz DIWUKPNWPUJMEF-IRUJWGPZSA-N -1 3 384.400 -0.854 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001571236968 953219676 /nfs/dbraw/zinc/21/96/76/953219676.db2.gz DIWUKPNWPUJMEF-SUZMYJTESA-N -1 3 384.400 -0.854 20 0 GBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)[C@@H]2C1 ZINC001571236968 953219672 /nfs/dbraw/zinc/21/96/72/953219672.db2.gz DIWUKPNWPUJMEF-SUZMYJTESA-N -1 3 384.400 -0.854 20 0 GBADHM C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)Cn1nccn1 ZINC001571236991 953219792 /nfs/dbraw/zinc/21/97/92/953219792.db2.gz DWEPLCRUZZVTOY-CMPLNLGQSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)Cn1nccn1 ZINC001571236991 953219790 /nfs/dbraw/zinc/21/97/90/953219790.db2.gz DWEPLCRUZZVTOY-CMPLNLGQSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)Cn1nccn1 ZINC001571236992 953220063 /nfs/dbraw/zinc/22/00/63/953220063.db2.gz DWEPLCRUZZVTOY-JQWIXIFHSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)Cn1nccn1 ZINC001571236992 953220060 /nfs/dbraw/zinc/22/00/60/953220060.db2.gz DWEPLCRUZZVTOY-JQWIXIFHSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)Cn1nccn1 ZINC001571236993 953219521 /nfs/dbraw/zinc/21/95/21/953219521.db2.gz DWEPLCRUZZVTOY-PWSUYJOCSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)Cn1nccn1 ZINC001571236993 953219516 /nfs/dbraw/zinc/21/95/16/953219516.db2.gz DWEPLCRUZZVTOY-PWSUYJOCSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1C(=O)Cn1nccn1 ZINC001571236994 953219636 /nfs/dbraw/zinc/21/96/36/953219636.db2.gz DWEPLCRUZZVTOY-ZYHUDNBSSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1C(=O)Cn1nccn1 ZINC001571236994 953219633 /nfs/dbraw/zinc/21/96/33/953219633.db2.gz DWEPLCRUZZVTOY-ZYHUDNBSSA-N -1 3 384.404 -0.404 20 0 GBADHM COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)cc1-c1nn[n-]n1 ZINC001571237005 953219453 /nfs/dbraw/zinc/21/94/53/953219453.db2.gz FCNLTFXBKCHBHN-ZIAGYGMSSA-N -1 3 384.400 -0.427 20 0 GBADHM COc1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccn[nH]3)C2)cc1-c1nnn[n-]1 ZINC001571237005 953219450 /nfs/dbraw/zinc/21/94/50/953219450.db2.gz FCNLTFXBKCHBHN-ZIAGYGMSSA-N -1 3 384.400 -0.427 20 0 GBADHM CCn1ncc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571237006 953219603 /nfs/dbraw/zinc/21/96/03/953219603.db2.gz FDLWGIZWSPVOMI-JTQLQIEISA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1ncc(C(=O)N(C)C[C@@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571237006 953219601 /nfs/dbraw/zinc/21/96/01/953219601.db2.gz FDLWGIZWSPVOMI-JTQLQIEISA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1ncc(C(=O)N(C)C[C@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001571237007 953219437 /nfs/dbraw/zinc/21/94/37/953219437.db2.gz FDLWGIZWSPVOMI-SNVBAGLBSA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1ncc(C(=O)N(C)C[C@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001571237007 953219434 /nfs/dbraw/zinc/21/94/34/953219434.db2.gz FDLWGIZWSPVOMI-SNVBAGLBSA-N -1 3 384.404 -0.207 20 0 GBADHM CC1(C)CN(C(=O)Cn2nccn2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571237031 953219419 /nfs/dbraw/zinc/21/94/19/953219419.db2.gz FNDJLICSZKHGAY-GFCCVEGCSA-N -1 3 384.404 -0.547 20 0 GBADHM CC1(C)CN(C(=O)Cn2nccn2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571237031 953219416 /nfs/dbraw/zinc/21/94/16/953219416.db2.gz FNDJLICSZKHGAY-GFCCVEGCSA-N -1 3 384.404 -0.547 20 0 GBADHM CC1(C)CN(C(=O)Cn2nccn2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571237032 953219478 /nfs/dbraw/zinc/21/94/78/953219478.db2.gz FNDJLICSZKHGAY-LBPRGKRZSA-N -1 3 384.404 -0.547 20 0 GBADHM CC1(C)CN(C(=O)Cn2nccn2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571237032 953219473 /nfs/dbraw/zinc/21/94/73/953219473.db2.gz FNDJLICSZKHGAY-LBPRGKRZSA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2cnnn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571237138 953220015 /nfs/dbraw/zinc/22/00/15/953220015.db2.gz FPNXJSNXZZEQMC-GXSJLCMTSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2cnnn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571237138 953220013 /nfs/dbraw/zinc/22/00/13/953220013.db2.gz FPNXJSNXZZEQMC-GXSJLCMTSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571237139 953219836 /nfs/dbraw/zinc/21/98/36/953219836.db2.gz FPNXJSNXZZEQMC-KOLCDFICSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571237139 953219834 /nfs/dbraw/zinc/21/98/34/953219834.db2.gz FPNXJSNXZZEQMC-KOLCDFICSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571237140 953219824 /nfs/dbraw/zinc/21/98/24/953219824.db2.gz FPNXJSNXZZEQMC-MWLCHTKSSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571237140 953219823 /nfs/dbraw/zinc/21/98/23/953219823.db2.gz FPNXJSNXZZEQMC-MWLCHTKSSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571237141 953220054 /nfs/dbraw/zinc/22/00/54/953220054.db2.gz FPNXJSNXZZEQMC-ONGXEEELSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571237141 953220051 /nfs/dbraw/zinc/22/00/51/953220051.db2.gz FPNXJSNXZZEQMC-ONGXEEELSA-N -1 3 384.404 -0.254 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)c(C)[nH]1 ZINC001571237142 953219936 /nfs/dbraw/zinc/21/99/36/953219936.db2.gz FPPGVRNZRUJDDW-KGLIPLIRSA-N -1 3 384.400 -0.245 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)c(C)[nH]1 ZINC001571237142 953219933 /nfs/dbraw/zinc/21/99/33/953219933.db2.gz FPPGVRNZRUJDDW-KGLIPLIRSA-N -1 3 384.400 -0.245 20 0 GBADHM CC[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571237143 953219929 /nfs/dbraw/zinc/21/99/29/953219929.db2.gz FPSYDBMMRLLEBA-GXFFZTMASA-N -1 3 384.404 -0.254 20 0 GBADHM CC[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571237143 953219927 /nfs/dbraw/zinc/21/99/27/953219927.db2.gz FPSYDBMMRLLEBA-GXFFZTMASA-N -1 3 384.404 -0.254 20 0 GBADHM 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C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cnn(C)c1N ZINC001571237161 953220447 /nfs/dbraw/zinc/22/04/47/953220447.db2.gz FZLBLYMXTUQGFO-WCBMZHEXSA-N -1 3 384.404 -0.457 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cnn(C)c1N ZINC001571237161 953220443 /nfs/dbraw/zinc/22/04/43/953220443.db2.gz FZLBLYMXTUQGFO-WCBMZHEXSA-N -1 3 384.404 -0.457 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)c1cnn(C)c1N ZINC001571237162 953220770 /nfs/dbraw/zinc/22/07/70/953220770.db2.gz FZLBLYMXTUQGFO-WPRPVWTQSA-N -1 3 384.404 -0.457 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1cnn(C)c1N ZINC001571237162 953220767 /nfs/dbraw/zinc/22/07/67/953220767.db2.gz FZLBLYMXTUQGFO-WPRPVWTQSA-N -1 3 384.404 -0.457 20 0 GBADHM CCn1nc(C)c(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)n1 ZINC001571237164 953220534 /nfs/dbraw/zinc/22/05/34/953220534.db2.gz GCDZMMMDPIPJEK-NEPJUHHUSA-N -1 3 384.404 -0.839 20 0 GBADHM 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CCn1ncc(C(=O)NC[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571237249 953220830 /nfs/dbraw/zinc/22/08/30/953220830.db2.gz GPRNHZPMMLYYND-JGZJWPJOSA-N -1 3 384.404 -0.255 20 0 GBADHM CC(C)(C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)c1c[nH]cn1 ZINC001571237314 953220506 /nfs/dbraw/zinc/22/05/06/953220506.db2.gz HDUULMRMRJSTOT-MNOVXSKESA-N -1 3 384.404 -0.977 20 0 GBADHM Cc1ccn(C)c1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001571237317 953220748 /nfs/dbraw/zinc/22/07/48/953220748.db2.gz HFSPLIFDBDEIDQ-OLZOCXBDSA-N -1 3 384.400 -0.543 20 0 GBADHM Cc1ccn(C)c1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001571237317 953220741 /nfs/dbraw/zinc/22/07/41/953220741.db2.gz HFSPLIFDBDEIDQ-OLZOCXBDSA-N -1 3 384.400 -0.543 20 0 GBADHM CCn1cc(C(=O)N2CCO[C@H](CNc3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001571237320 953220647 /nfs/dbraw/zinc/22/06/47/953220647.db2.gz HLCISOMWSZZHRG-LLVKDONJSA-N -1 3 384.404 -0.174 20 0 GBADHM CCn1cc(C(=O)N2CCO[C@H](CNc3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001571237320 953220646 /nfs/dbraw/zinc/22/06/46/953220646.db2.gz HLCISOMWSZZHRG-LLVKDONJSA-N -1 3 384.404 -0.174 20 0 GBADHM CCn1cc(C(=O)N2CCO[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)nn1 ZINC001571237321 953220368 /nfs/dbraw/zinc/22/03/68/953220368.db2.gz HLCISOMWSZZHRG-NSHDSACASA-N -1 3 384.404 -0.174 20 0 GBADHM CCn1cc(C(=O)N2CCO[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)nn1 ZINC001571237321 953220365 /nfs/dbraw/zinc/22/03/65/953220365.db2.gz HLCISOMWSZZHRG-NSHDSACASA-N -1 3 384.404 -0.174 20 0 GBADHM CCn1nc(C)c(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571237468 953221210 /nfs/dbraw/zinc/22/12/10/953221210.db2.gz IIPWSEOOEZBYRD-JTQLQIEISA-N -1 3 384.404 -0.241 20 0 GBADHM CCn1nc(C)c(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571237468 953221208 /nfs/dbraw/zinc/22/12/08/953221208.db2.gz IIPWSEOOEZBYRD-JTQLQIEISA-N -1 3 384.404 -0.241 20 0 GBADHM CCn1nc(C)c(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571237469 953221387 /nfs/dbraw/zinc/22/13/87/953221387.db2.gz IIPWSEOOEZBYRD-SNVBAGLBSA-N -1 3 384.404 -0.241 20 0 GBADHM CCn1nc(C)c(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571237469 953221386 /nfs/dbraw/zinc/22/13/86/953221386.db2.gz IIPWSEOOEZBYRD-SNVBAGLBSA-N -1 3 384.404 -0.241 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571237487 953221498 /nfs/dbraw/zinc/22/14/98/953221498.db2.gz IWNRIWKLFFROGL-NXEZZACHSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571237487 953221493 /nfs/dbraw/zinc/22/14/93/953221493.db2.gz IWNRIWKLFFROGL-NXEZZACHSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571237488 953221190 /nfs/dbraw/zinc/22/11/90/953221190.db2.gz IWNRIWKLFFROGL-UWVGGRQHSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571237488 953221186 /nfs/dbraw/zinc/22/11/86/953221186.db2.gz IWNRIWKLFFROGL-UWVGGRQHSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571237489 953221479 /nfs/dbraw/zinc/22/14/79/953221479.db2.gz IWNRIWKLFFROGL-VHSXEESVSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571237489 953221476 /nfs/dbraw/zinc/22/14/76/953221476.db2.gz IWNRIWKLFFROGL-VHSXEESVSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571237490 953221472 /nfs/dbraw/zinc/22/14/72/953221472.db2.gz IWNRIWKLFFROGL-ZJUUUORDSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571237490 953221469 /nfs/dbraw/zinc/22/14/69/953221469.db2.gz IWNRIWKLFFROGL-ZJUUUORDSA-N -1 3 384.404 -0.254 20 0 GBADHM CCn1ncc(C(=O)N[C@H](C)C2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571237491 953221424 /nfs/dbraw/zinc/22/14/24/953221424.db2.gz IZVWWQLMFXQJRN-SECBINFHSA-N -1 3 384.404 -0.303 20 0 GBADHM CCn1ncc(C(=O)N[C@H](C)C2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571237491 953221422 /nfs/dbraw/zinc/22/14/22/953221422.db2.gz IZVWWQLMFXQJRN-SECBINFHSA-N -1 3 384.404 -0.303 20 0 GBADHM CCn1ncc(C(=O)N[C@@H](C)C2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571237492 953221586 /nfs/dbraw/zinc/22/15/86/953221586.db2.gz IZVWWQLMFXQJRN-VIFPVBQESA-N -1 3 384.404 -0.303 20 0 GBADHM CCn1ncc(C(=O)N[C@@H](C)C2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571237492 953221582 /nfs/dbraw/zinc/22/15/82/953221582.db2.gz IZVWWQLMFXQJRN-VIFPVBQESA-N -1 3 384.404 -0.303 20 0 GBADHM Cc1cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)no1 ZINC001571237493 953221369 /nfs/dbraw/zinc/22/13/69/953221369.db2.gz IZZNLXCPSUVXMZ-DZGCQCFKSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)no1 ZINC001571237493 953221367 /nfs/dbraw/zinc/22/13/67/953221367.db2.gz IZZNLXCPSUVXMZ-DZGCQCFKSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1cc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)no1 ZINC001571237494 953221221 /nfs/dbraw/zinc/22/12/21/953221221.db2.gz IZZNLXCPSUVXMZ-HIFRSBDPSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1cc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)no1 ZINC001571237494 953221218 /nfs/dbraw/zinc/22/12/18/953221218.db2.gz IZZNLXCPSUVXMZ-HIFRSBDPSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1cc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)no1 ZINC001571237495 953221639 /nfs/dbraw/zinc/22/16/39/953221639.db2.gz IZZNLXCPSUVXMZ-UKRRQHHQSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1cc(CC(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)no1 ZINC001571237495 953221633 /nfs/dbraw/zinc/22/16/33/953221633.db2.gz IZZNLXCPSUVXMZ-UKRRQHHQSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)no1 ZINC001571237496 953221035 /nfs/dbraw/zinc/22/10/35/953221035.db2.gz IZZNLXCPSUVXMZ-ZFWWWQNUSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1cc(CC(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)no1 ZINC001571237496 953221033 /nfs/dbraw/zinc/22/10/33/953221033.db2.gz IZZNLXCPSUVXMZ-ZFWWWQNUSA-N -1 3 384.400 -0.143 20 0 GBADHM CCn1ncc(C(=O)N2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001571237518 953222072 /nfs/dbraw/zinc/22/20/72/953222072.db2.gz JNDHIMQRUYHNBI-UHFFFAOYSA-N -1 3 384.404 -0.159 20 0 GBADHM CCn1ncc(C(=O)N2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001571237518 953222069 /nfs/dbraw/zinc/22/20/69/953222069.db2.gz JNDHIMQRUYHNBI-UHFFFAOYSA-N -1 3 384.404 -0.159 20 0 GBADHM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571237521 953222386 /nfs/dbraw/zinc/22/23/86/953222386.db2.gz JQSRGGTXEHBWQV-NXEZZACHSA-N -1 3 384.404 -0.084 20 0 GBADHM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571237522 953222153 /nfs/dbraw/zinc/22/21/53/953222153.db2.gz JQSRGGTXEHBWQV-UWVGGRQHSA-N -1 3 384.404 -0.084 20 0 GBADHM C[C@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571237523 953221991 /nfs/dbraw/zinc/22/19/91/953221991.db2.gz JQSRGGTXEHBWQV-VHSXEESVSA-N -1 3 384.404 -0.084 20 0 GBADHM C[C@@H]1CN(C(=O)c2cn(C)c(=O)[nH]2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001571237524 953222421 /nfs/dbraw/zinc/22/24/21/953222421.db2.gz JQSRGGTXEHBWQV-ZJUUUORDSA-N -1 3 384.404 -0.084 20 0 GBADHM Cn1ccc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H](O)C2)c1 ZINC001571237530 953221946 /nfs/dbraw/zinc/22/19/46/953221946.db2.gz JYVQUVRLICBWOO-BXUZGUMPSA-N -1 3 384.400 -0.461 20 0 GBADHM Cn1ccc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H](O)C2)c1 ZINC001571237530 953221943 /nfs/dbraw/zinc/22/19/43/953221943.db2.gz JYVQUVRLICBWOO-BXUZGUMPSA-N -1 3 384.400 -0.461 20 0 GBADHM Cn1ccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)c1 ZINC001571237531 953222482 /nfs/dbraw/zinc/22/24/82/953222482.db2.gz JYVQUVRLICBWOO-FZMZJTMJSA-N -1 3 384.400 -0.461 20 0 GBADHM Cn1ccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)c1 ZINC001571237531 953222479 /nfs/dbraw/zinc/22/24/79/953222479.db2.gz JYVQUVRLICBWOO-FZMZJTMJSA-N -1 3 384.400 -0.461 20 0 GBADHM Cn1ccc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)c1 ZINC001571237532 953222463 /nfs/dbraw/zinc/22/24/63/953222463.db2.gz JYVQUVRLICBWOO-RISCZKNCSA-N -1 3 384.400 -0.461 20 0 GBADHM Cn1ccc(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)c1 ZINC001571237532 953222459 /nfs/dbraw/zinc/22/24/59/953222459.db2.gz JYVQUVRLICBWOO-RISCZKNCSA-N -1 3 384.400 -0.461 20 0 GBADHM Cn1ccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@H](O)C2)c1 ZINC001571237533 953222081 /nfs/dbraw/zinc/22/20/81/953222081.db2.gz JYVQUVRLICBWOO-SMDDNHRTSA-N -1 3 384.400 -0.461 20 0 GBADHM Cn1ccc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@H](O)C2)c1 ZINC001571237533 953222078 /nfs/dbraw/zinc/22/20/78/953222078.db2.gz JYVQUVRLICBWOO-SMDDNHRTSA-N -1 3 384.400 -0.461 20 0 GBADHM COc1cc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)ccn1 ZINC001571237636 953222233 /nfs/dbraw/zinc/22/22/33/953222233.db2.gz KAZKATSXUCFTKY-ZIAGYGMSSA-N -1 3 384.400 -0.427 20 0 GBADHM COc1cc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)ccn1 ZINC001571237636 953222232 /nfs/dbraw/zinc/22/22/32/953222232.db2.gz KAZKATSXUCFTKY-ZIAGYGMSSA-N -1 3 384.400 -0.427 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]21 ZINC001571237639 953222442 /nfs/dbraw/zinc/22/24/42/953222442.db2.gz KCRPZBYAXGBMQO-UFGOTCBOSA-N -1 3 384.400 -0.854 20 0 GBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@H]2CN(C(=O)[C@H]3CCC(=O)N3)C[C@H]21 ZINC001571237639 953222440 /nfs/dbraw/zinc/22/24/40/953222440.db2.gz KCRPZBYAXGBMQO-UFGOTCBOSA-N -1 3 384.400 -0.854 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001571237652 953221846 /nfs/dbraw/zinc/22/18/46/953221846.db2.gz KTXDYMAGDHNHOW-GXTWGEPZSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001571237652 953221844 /nfs/dbraw/zinc/22/18/44/953221844.db2.gz KTXDYMAGDHNHOW-GXTWGEPZSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001571237653 953222540 /nfs/dbraw/zinc/22/25/40/953222540.db2.gz KTXDYMAGDHNHOW-JSGCOSHPSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001571237653 953222536 /nfs/dbraw/zinc/22/25/36/953222536.db2.gz KTXDYMAGDHNHOW-JSGCOSHPSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001571237654 953222208 /nfs/dbraw/zinc/22/22/08/953222208.db2.gz KTXDYMAGDHNHOW-OCCSQVGLSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001571237654 953222206 /nfs/dbraw/zinc/22/22/06/953222206.db2.gz KTXDYMAGDHNHOW-OCCSQVGLSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001571237655 953222575 /nfs/dbraw/zinc/22/25/75/953222575.db2.gz KTXDYMAGDHNHOW-TZMCWYRMSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1c[nH]cc1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001571237655 953222571 /nfs/dbraw/zinc/22/25/71/953222571.db2.gz KTXDYMAGDHNHOW-TZMCWYRMSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)[nH]1 ZINC001571237658 953222052 /nfs/dbraw/zinc/22/20/52/953222052.db2.gz KWNRSOXQRSZCLW-CHWSQXEVSA-N -1 3 384.400 -0.245 20 0 GBADHM Cc1cc(C)c(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)[nH]1 ZINC001571237658 953222050 /nfs/dbraw/zinc/22/20/50/953222050.db2.gz KWNRSOXQRSZCLW-CHWSQXEVSA-N -1 3 384.400 -0.245 20 0 GBADHM Cc1c(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)ccn1C ZINC001571237659 953222374 /nfs/dbraw/zinc/22/23/74/953222374.db2.gz KXFAYYOOQJSGBC-KGLIPLIRSA-N -1 3 384.400 -0.543 20 0 GBADHM Cc1c(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)ccn1C ZINC001571237659 953222371 /nfs/dbraw/zinc/22/23/71/953222371.db2.gz KXFAYYOOQJSGBC-KGLIPLIRSA-N -1 3 384.400 -0.543 20 0 GBADHM CCN(C(=O)c1cn(C)c(=O)[nH]1)[C@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571237699 953223500 /nfs/dbraw/zinc/22/35/00/953223500.db2.gz MAEXGIMNIFLKHC-JTQLQIEISA-N -1 3 384.404 -0.163 20 0 GBADHM CCN(C(=O)c1cn(C)c(=O)[nH]1)[C@@H]1CCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571237700 953223489 /nfs/dbraw/zinc/22/34/89/953223489.db2.gz MAEXGIMNIFLKHC-SNVBAGLBSA-N -1 3 384.404 -0.163 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCn1ccnn1 ZINC001571237715 953223000 /nfs/dbraw/zinc/22/30/00/953223000.db2.gz MOKSGSQOVRPOIV-CMPLNLGQSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCn1ccnn1 ZINC001571237715 953222996 /nfs/dbraw/zinc/22/29/96/953222996.db2.gz MOKSGSQOVRPOIV-CMPLNLGQSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCn1ccnn1 ZINC001571237716 953223211 /nfs/dbraw/zinc/22/32/11/953223211.db2.gz MOKSGSQOVRPOIV-JQWIXIFHSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCn1ccnn1 ZINC001571237716 953223207 /nfs/dbraw/zinc/22/32/07/953223207.db2.gz MOKSGSQOVRPOIV-JQWIXIFHSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCn1ccnn1 ZINC001571237717 953222951 /nfs/dbraw/zinc/22/29/51/953222951.db2.gz MOKSGSQOVRPOIV-PWSUYJOCSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCn1ccnn1 ZINC001571237717 953222950 /nfs/dbraw/zinc/22/29/50/953222950.db2.gz MOKSGSQOVRPOIV-PWSUYJOCSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)CCn1ccnn1 ZINC001571237718 953223157 /nfs/dbraw/zinc/22/31/57/953223157.db2.gz MOKSGSQOVRPOIV-ZYHUDNBSSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)CCn1ccnn1 ZINC001571237718 953223153 /nfs/dbraw/zinc/22/31/53/953223153.db2.gz MOKSGSQOVRPOIV-ZYHUDNBSSA-N -1 3 384.404 -0.404 20 0 GBADHM O=C(Cc1ccc[nH]1)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001571237729 953222758 /nfs/dbraw/zinc/22/27/58/953222758.db2.gz MXILCGQQEAWPQH-GXTWGEPZSA-N -1 3 384.400 -0.543 20 0 GBADHM O=C(Cc1ccc[nH]1)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001571237729 953222754 /nfs/dbraw/zinc/22/27/54/953222754.db2.gz MXILCGQQEAWPQH-GXTWGEPZSA-N -1 3 384.400 -0.543 20 0 GBADHM O=C(Cc1ccc[nH]1)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001571237732 953223047 /nfs/dbraw/zinc/22/30/47/953223047.db2.gz MXILCGQQEAWPQH-JSGCOSHPSA-N -1 3 384.400 -0.543 20 0 GBADHM O=C(Cc1ccc[nH]1)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001571237732 953223045 /nfs/dbraw/zinc/22/30/45/953223045.db2.gz MXILCGQQEAWPQH-JSGCOSHPSA-N -1 3 384.400 -0.543 20 0 GBADHM O=C(Cc1ccc[nH]1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001571237734 953223148 /nfs/dbraw/zinc/22/31/48/953223148.db2.gz MXILCGQQEAWPQH-OCCSQVGLSA-N -1 3 384.400 -0.543 20 0 GBADHM O=C(Cc1ccc[nH]1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001571237734 953223145 /nfs/dbraw/zinc/22/31/45/953223145.db2.gz MXILCGQQEAWPQH-OCCSQVGLSA-N -1 3 384.400 -0.543 20 0 GBADHM O=C(Cc1ccc[nH]1)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001571237736 953223016 /nfs/dbraw/zinc/22/30/16/953223016.db2.gz MXILCGQQEAWPQH-TZMCWYRMSA-N -1 3 384.400 -0.543 20 0 GBADHM O=C(Cc1ccc[nH]1)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001571237736 953223014 /nfs/dbraw/zinc/22/30/14/953223014.db2.gz MXILCGQQEAWPQH-TZMCWYRMSA-N -1 3 384.400 -0.543 20 0 GBADHM C[C@]12CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571237889 953222919 /nfs/dbraw/zinc/22/29/19/953222919.db2.gz NERNYEVRVBGOGP-PEBVRCNWSA-N -1 3 384.400 -0.345 20 0 GBADHM C[C@]12CN(C(=O)[C@@H]3COC(=O)N3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571237889 953222917 /nfs/dbraw/zinc/22/29/17/953222917.db2.gz NERNYEVRVBGOGP-PEBVRCNWSA-N -1 3 384.400 -0.345 20 0 GBADHM C[C@]12CN(C(=O)[C@H]3COC(=O)N3)C[C@H]1CN(c1ccc(-c3nn[n-]n3)cn1)C2 ZINC001571237890 953222912 /nfs/dbraw/zinc/22/29/12/953222912.db2.gz NERNYEVRVBGOGP-QFSBIZTOSA-N -1 3 384.400 -0.345 20 0 GBADHM C[C@]12CN(C(=O)[C@H]3COC(=O)N3)C[C@H]1CN(c1ccc(-c3nnn[n-]3)cn1)C2 ZINC001571237890 953222911 /nfs/dbraw/zinc/22/29/11/953222911.db2.gz NERNYEVRVBGOGP-QFSBIZTOSA-N -1 3 384.400 -0.345 20 0 GBADHM Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)n1C ZINC001571237898 953223361 /nfs/dbraw/zinc/22/33/61/953223361.db2.gz NJAALNNUZIPDCZ-OCCSQVGLSA-N -1 3 384.400 -0.543 20 0 GBADHM Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)n1C ZINC001571237898 953223358 /nfs/dbraw/zinc/22/33/58/953223358.db2.gz NJAALNNUZIPDCZ-OCCSQVGLSA-N -1 3 384.400 -0.543 20 0 GBADHM CCn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571237906 953223465 /nfs/dbraw/zinc/22/34/65/953223465.db2.gz NSXIFSVEYVRSCX-JTQLQIEISA-N -1 3 384.404 -0.302 20 0 GBADHM CCn1cc(C(=O)NC[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571237906 953223462 /nfs/dbraw/zinc/22/34/62/953223462.db2.gz NSXIFSVEYVRSCX-JTQLQIEISA-N -1 3 384.404 -0.302 20 0 GBADHM CCn1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571237907 953222804 /nfs/dbraw/zinc/22/28/04/953222804.db2.gz NSXIFSVEYVRSCX-SNVBAGLBSA-N -1 3 384.404 -0.302 20 0 GBADHM CCn1cc(C(=O)NC[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571237907 953222800 /nfs/dbraw/zinc/22/28/00/953222800.db2.gz NSXIFSVEYVRSCX-SNVBAGLBSA-N -1 3 384.404 -0.302 20 0 GBADHM O=C([C@@H]1COC(=O)N1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571237908 953223271 /nfs/dbraw/zinc/22/32/71/953223271.db2.gz NTRZYLRDGHTVDP-OSMZGAPFSA-N -1 3 384.400 -0.060 20 0 GBADHM O=C([C@@H]1COC(=O)N1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571237908 953223269 /nfs/dbraw/zinc/22/32/69/953223269.db2.gz NTRZYLRDGHTVDP-OSMZGAPFSA-N -1 3 384.400 -0.060 20 0 GBADHM O=C([C@H]1COC(=O)N1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1 ZINC001571237909 953222900 /nfs/dbraw/zinc/22/29/00/953222900.db2.gz NTRZYLRDGHTVDP-SCDSUCTJSA-N -1 3 384.400 -0.060 20 0 GBADHM O=C([C@H]1COC(=O)N1)N1CC[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1 ZINC001571237909 953222897 /nfs/dbraw/zinc/22/28/97/953222897.db2.gz NTRZYLRDGHTVDP-SCDSUCTJSA-N -1 3 384.400 -0.060 20 0 GBADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001571237917 953223890 /nfs/dbraw/zinc/22/38/90/953223890.db2.gz OCANYGYFODNHLN-GWCFXTLKSA-N -1 3 384.404 -0.350 20 0 GBADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001571237917 953223888 /nfs/dbraw/zinc/22/38/88/953223888.db2.gz OCANYGYFODNHLN-GWCFXTLKSA-N -1 3 384.404 -0.350 20 0 GBADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001571237918 953224316 /nfs/dbraw/zinc/22/43/16/953224316.db2.gz OCANYGYFODNHLN-GXFFZTMASA-N -1 3 384.404 -0.350 20 0 GBADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001571237918 953224313 /nfs/dbraw/zinc/22/43/13/953224313.db2.gz OCANYGYFODNHLN-GXFFZTMASA-N -1 3 384.404 -0.350 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001571237919 953224257 /nfs/dbraw/zinc/22/42/57/953224257.db2.gz OCANYGYFODNHLN-MFKMUULPSA-N -1 3 384.404 -0.350 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001571237919 953224256 /nfs/dbraw/zinc/22/42/56/953224256.db2.gz OCANYGYFODNHLN-MFKMUULPSA-N -1 3 384.404 -0.350 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001571237920 953224029 /nfs/dbraw/zinc/22/40/29/953224029.db2.gz OCANYGYFODNHLN-ZWNOBZJWSA-N -1 3 384.404 -0.350 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CN(C(=O)Cc2cc[nH]n2)CCO1 ZINC001571237920 953224027 /nfs/dbraw/zinc/22/40/27/953224027.db2.gz OCANYGYFODNHLN-ZWNOBZJWSA-N -1 3 384.404 -0.350 20 0 GBADHM COc1cccc(CN2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)n1 ZINC001571237945 953224019 /nfs/dbraw/zinc/22/40/19/953224019.db2.gz ORYKTFZEFBTCGF-KGLIPLIRSA-N -1 3 384.400 -0.427 20 0 GBADHM COc1cccc(CN2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)n1 ZINC001571237945 953224014 /nfs/dbraw/zinc/22/40/14/953224014.db2.gz ORYKTFZEFBTCGF-KGLIPLIRSA-N -1 3 384.400 -0.427 20 0 GBADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC(=O)N1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571237946 953224096 /nfs/dbraw/zinc/22/40/96/953224096.db2.gz OTFVBKBXUFKYKR-KMLBCRHOSA-N -1 3 384.400 -0.665 20 0 GBADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC(=O)N1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571237946 953224092 /nfs/dbraw/zinc/22/40/92/953224092.db2.gz OTFVBKBXUFKYKR-KMLBCRHOSA-N -1 3 384.400 -0.665 20 0 GBADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC(=O)N1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571237947 953224286 /nfs/dbraw/zinc/22/42/86/953224286.db2.gz OTFVBKBXUFKYKR-STRQVWJDSA-N -1 3 384.400 -0.665 20 0 GBADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC(=O)N1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571237947 953224283 /nfs/dbraw/zinc/22/42/83/953224283.db2.gz OTFVBKBXUFKYKR-STRQVWJDSA-N -1 3 384.400 -0.665 20 0 GBADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC(=O)N1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571237948 953224075 /nfs/dbraw/zinc/22/40/75/953224075.db2.gz OTFVBKBXUFKYKR-YJRXYDGGSA-N -1 3 384.400 -0.665 20 0 GBADHM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCC(=O)N1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571237948 953224074 /nfs/dbraw/zinc/22/40/74/953224074.db2.gz OTFVBKBXUFKYKR-YJRXYDGGSA-N -1 3 384.400 -0.665 20 0 GBADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]21 ZINC001571237968 953224085 /nfs/dbraw/zinc/22/40/85/953224085.db2.gz PGJDYTHRZXHPTC-XHVZSJERSA-N -1 3 384.400 -0.854 20 0 GBADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)C[C@H]21 ZINC001571237968 953224082 /nfs/dbraw/zinc/22/40/82/953224082.db2.gz PGJDYTHRZXHPTC-XHVZSJERSA-N -1 3 384.400 -0.854 20 0 GBADHM CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001571237993 953224739 /nfs/dbraw/zinc/22/47/39/953224739.db2.gz QDWXNJNXUIINMD-MGCOHNPYSA-N -1 3 384.404 -0.113 20 0 GBADHM CCCn1cc(C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001571237993 953224736 /nfs/dbraw/zinc/22/47/36/953224736.db2.gz QDWXNJNXUIINMD-MGCOHNPYSA-N -1 3 384.404 -0.113 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571237994 953224686 /nfs/dbraw/zinc/22/46/86/953224686.db2.gz QDYFRZSYNXCDHD-GXSJLCMTSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571237994 953224684 /nfs/dbraw/zinc/22/46/84/953224684.db2.gz QDYFRZSYNXCDHD-GXSJLCMTSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571237995 953224838 /nfs/dbraw/zinc/22/48/38/953224838.db2.gz QDYFRZSYNXCDHD-KOLCDFICSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571237995 953224833 /nfs/dbraw/zinc/22/48/33/953224833.db2.gz QDYFRZSYNXCDHD-KOLCDFICSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571237996 953224711 /nfs/dbraw/zinc/22/47/11/953224711.db2.gz QDYFRZSYNXCDHD-MWLCHTKSSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571237996 953224709 /nfs/dbraw/zinc/22/47/09/953224709.db2.gz QDYFRZSYNXCDHD-MWLCHTKSSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571237997 953225107 /nfs/dbraw/zinc/22/51/07/953225107.db2.gz QDYFRZSYNXCDHD-ONGXEEELSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571237997 953225105 /nfs/dbraw/zinc/22/51/05/953225105.db2.gz QDYFRZSYNXCDHD-ONGXEEELSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H](C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001571238027 953224520 /nfs/dbraw/zinc/22/45/20/953224520.db2.gz RNXDVXDYGUFYCQ-KPPDAEKUSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001571238027 953224514 /nfs/dbraw/zinc/22/45/14/953224514.db2.gz RNXDVXDYGUFYCQ-KPPDAEKUSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001571238028 953224732 /nfs/dbraw/zinc/22/47/32/953224732.db2.gz RNXDVXDYGUFYCQ-WHXUTIOJSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001571238028 953224730 /nfs/dbraw/zinc/22/47/30/953224730.db2.gz RNXDVXDYGUFYCQ-WHXUTIOJSA-N -1 3 384.404 -0.328 20 0 GBADHM O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571238049 953225128 /nfs/dbraw/zinc/22/51/28/953225128.db2.gz SCUKRQBJMFCQAJ-KIGUWFBYSA-N -1 3 384.400 -0.950 20 0 GBADHM O=C(C[C@@H]1CCC(=O)N1)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571238049 953225127 /nfs/dbraw/zinc/22/51/27/953225127.db2.gz SCUKRQBJMFCQAJ-KIGUWFBYSA-N -1 3 384.400 -0.950 20 0 GBADHM O=C(C[C@H]1CCC(=O)N1)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001571238050 953225077 /nfs/dbraw/zinc/22/50/77/953225077.db2.gz SCUKRQBJMFCQAJ-OZWUEAAUSA-N -1 3 384.400 -0.950 20 0 GBADHM O=C(C[C@H]1CCC(=O)N1)N[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001571238050 953225074 /nfs/dbraw/zinc/22/50/74/953225074.db2.gz SCUKRQBJMFCQAJ-OZWUEAAUSA-N -1 3 384.400 -0.950 20 0 GBADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(C(=O)CCn2cncn2)C1 ZINC001571238051 953225030 /nfs/dbraw/zinc/22/50/30/953225030.db2.gz SEHOFKRLORCCRS-JTQLQIEISA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(C(=O)CCn2cncn2)C1 ZINC001571238051 953225027 /nfs/dbraw/zinc/22/50/27/953225027.db2.gz SEHOFKRLORCCRS-JTQLQIEISA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CN(C(=O)CCn2cncn2)C1 ZINC001571238052 953224898 /nfs/dbraw/zinc/22/48/98/953224898.db2.gz SEHOFKRLORCCRS-SNVBAGLBSA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CN(C(=O)CCn2cncn2)C1 ZINC001571238052 953224893 /nfs/dbraw/zinc/22/48/93/953224893.db2.gz SEHOFKRLORCCRS-SNVBAGLBSA-N -1 3 384.404 -0.547 20 0 GBADHM CC[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571238053 953224639 /nfs/dbraw/zinc/22/46/39/953224639.db2.gz SGVGYRSZTAAREF-CMPLNLGQSA-N -1 3 384.404 -0.254 20 0 GBADHM CC[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571238053 953224638 /nfs/dbraw/zinc/22/46/38/953224638.db2.gz SGVGYRSZTAAREF-CMPLNLGQSA-N -1 3 384.404 -0.254 20 0 GBADHM O=C(c1ccc(-c2nn[n-]n2)[nH]1)N1CC2(C1)CCN(C(=O)[C@@H]1CCC(=O)N1)C2 ZINC001571238083 953225664 /nfs/dbraw/zinc/22/56/64/953225664.db2.gz TVFPQRMWFGIDEZ-LBPRGKRZSA-N -1 3 384.400 -0.852 20 0 GBADHM O=C(c1ccc(-c2nnn[n-]2)[nH]1)N1CC2(C1)CCN(C(=O)[C@@H]1CCC(=O)N1)C2 ZINC001571238083 953225661 /nfs/dbraw/zinc/22/56/61/953225661.db2.gz TVFPQRMWFGIDEZ-LBPRGKRZSA-N -1 3 384.400 -0.852 20 0 GBADHM Cc1nc(N2CC[C@H](NC(=O)Cc3ccon3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571238105 953225435 /nfs/dbraw/zinc/22/54/35/953225435.db2.gz UIPHVPHFKWSFAO-KBPBESRZSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1nc(N2CC[C@H](NC(=O)Cc3ccon3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571238105 953225434 /nfs/dbraw/zinc/22/54/34/953225434.db2.gz UIPHVPHFKWSFAO-KBPBESRZSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1nc(N2CC[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571238106 953225682 /nfs/dbraw/zinc/22/56/82/953225682.db2.gz UIPHVPHFKWSFAO-KGLIPLIRSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1nc(N2CC[C@@H](NC(=O)Cc3ccon3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571238106 953225679 /nfs/dbraw/zinc/22/56/79/953225679.db2.gz UIPHVPHFKWSFAO-KGLIPLIRSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1nc(N2CC[C@H](NC(=O)Cc3ccon3)[C@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571238107 953225807 /nfs/dbraw/zinc/22/58/07/953225807.db2.gz UIPHVPHFKWSFAO-UONOGXRCSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1nc(N2CC[C@H](NC(=O)Cc3ccon3)[C@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571238107 953225804 /nfs/dbraw/zinc/22/58/04/953225804.db2.gz UIPHVPHFKWSFAO-UONOGXRCSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1nc(N2CC[C@@H](NC(=O)Cc3ccon3)[C@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571238108 953225586 /nfs/dbraw/zinc/22/55/86/953225586.db2.gz UIPHVPHFKWSFAO-ZIAGYGMSSA-N -1 3 384.400 -0.143 20 0 GBADHM Cc1nc(N2CC[C@@H](NC(=O)Cc3ccon3)[C@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571238108 953225584 /nfs/dbraw/zinc/22/55/84/953225584.db2.gz UIPHVPHFKWSFAO-ZIAGYGMSSA-N -1 3 384.400 -0.143 20 0 GBADHM CCn1ncc(C(=O)NC[C@@H]2COCCN2c2ncccc2-c2nn[n-]n2)n1 ZINC001571238119 953225846 /nfs/dbraw/zinc/22/58/46/953225846.db2.gz UPWMGXYEJWOEKX-LLVKDONJSA-N -1 3 384.404 -0.492 20 0 GBADHM CCn1ncc(C(=O)NC[C@@H]2COCCN2c2ncccc2-c2nnn[n-]2)n1 ZINC001571238119 953225845 /nfs/dbraw/zinc/22/58/45/953225845.db2.gz UPWMGXYEJWOEKX-LLVKDONJSA-N -1 3 384.404 -0.492 20 0 GBADHM CCn1ncc(C(=O)NC[C@H]2COCCN2c2ncccc2-c2nn[n-]n2)n1 ZINC001571238120 953225351 /nfs/dbraw/zinc/22/53/51/953225351.db2.gz UPWMGXYEJWOEKX-NSHDSACASA-N -1 3 384.404 -0.492 20 0 GBADHM CCn1ncc(C(=O)NC[C@H]2COCCN2c2ncccc2-c2nnn[n-]2)n1 ZINC001571238120 953225348 /nfs/dbraw/zinc/22/53/48/953225348.db2.gz UPWMGXYEJWOEKX-NSHDSACASA-N -1 3 384.404 -0.492 20 0 GBADHM Cc1ccn(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571238121 953225822 /nfs/dbraw/zinc/22/58/22/953225822.db2.gz USRVGISMABFKDT-CHWSQXEVSA-N -1 3 384.400 -0.543 20 0 GBADHM Cc1ccn(C)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571238121 953225820 /nfs/dbraw/zinc/22/58/20/953225820.db2.gz USRVGISMABFKDT-CHWSQXEVSA-N -1 3 384.400 -0.543 20 0 GBADHM CCn1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)nn1 ZINC001571238130 953225635 /nfs/dbraw/zinc/22/56/35/953225635.db2.gz VFMIRLMMDOXCBS-GXSJLCMTSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)nn1 ZINC001571238130 953225632 /nfs/dbraw/zinc/22/56/32/953225632.db2.gz VFMIRLMMDOXCBS-GXSJLCMTSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)nn1 ZINC001571238131 953225731 /nfs/dbraw/zinc/22/57/31/953225731.db2.gz VFMIRLMMDOXCBS-KOLCDFICSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)nn1 ZINC001571238131 953225728 /nfs/dbraw/zinc/22/57/28/953225728.db2.gz VFMIRLMMDOXCBS-KOLCDFICSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C)nn1 ZINC001571238132 953225761 /nfs/dbraw/zinc/22/57/61/953225761.db2.gz VFMIRLMMDOXCBS-MWLCHTKSSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C)nn1 ZINC001571238132 953225758 /nfs/dbraw/zinc/22/57/58/953225758.db2.gz VFMIRLMMDOXCBS-MWLCHTKSSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H]2C)nn1 ZINC001571238133 953225491 /nfs/dbraw/zinc/22/54/91/953225491.db2.gz VFMIRLMMDOXCBS-ONGXEEELSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H]2C)nn1 ZINC001571238133 953225488 /nfs/dbraw/zinc/22/54/88/953225488.db2.gz VFMIRLMMDOXCBS-ONGXEEELSA-N -1 3 384.404 -0.161 20 0 GBADHM COc1ccc(CN2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)cn1 ZINC001571238148 953225331 /nfs/dbraw/zinc/22/53/31/953225331.db2.gz VMIVOZDDVARXRC-KGLIPLIRSA-N -1 3 384.400 -0.427 20 0 GBADHM COc1ccc(CN2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)cn1 ZINC001571238148 953225328 /nfs/dbraw/zinc/22/53/28/953225328.db2.gz VMIVOZDDVARXRC-KGLIPLIRSA-N -1 3 384.400 -0.427 20 0 GBADHM CC(C)(C(=O)N[C@@H]1CN(c2cncc(-c3nnn[n-]3)n2)C[C@@H]1O)c1c[nH]cn1 ZINC001571238155 953226102 /nfs/dbraw/zinc/22/61/02/953226102.db2.gz VOPMVEOVHBQHGH-MNOVXSKESA-N -1 3 384.404 -0.977 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1cncn1 ZINC001571238164 953226586 /nfs/dbraw/zinc/22/65/86/953226586.db2.gz VUAKYQJVYAMUOH-GHMZBOCLSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1cncn1 ZINC001571238164 953226583 /nfs/dbraw/zinc/22/65/83/953226583.db2.gz VUAKYQJVYAMUOH-GHMZBOCLSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1cncn1 ZINC001571238165 953226673 /nfs/dbraw/zinc/22/66/73/953226673.db2.gz VUAKYQJVYAMUOH-MNOVXSKESA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1cncn1 ZINC001571238165 953226672 /nfs/dbraw/zinc/22/66/72/953226672.db2.gz VUAKYQJVYAMUOH-MNOVXSKESA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1cncn1 ZINC001571238166 953226236 /nfs/dbraw/zinc/22/62/36/953226236.db2.gz VUAKYQJVYAMUOH-QWRGUYRKSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1cncn1 ZINC001571238166 953226233 /nfs/dbraw/zinc/22/62/33/953226233.db2.gz VUAKYQJVYAMUOH-QWRGUYRKSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1cncn1 ZINC001571238167 953226320 /nfs/dbraw/zinc/22/63/20/953226320.db2.gz VUAKYQJVYAMUOH-WDEREUQCSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1cncn1 ZINC001571238167 953226315 /nfs/dbraw/zinc/22/63/15/953226315.db2.gz VUAKYQJVYAMUOH-WDEREUQCSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571238168 953226632 /nfs/dbraw/zinc/22/66/32/953226632.db2.gz VUGUQTDZBZKQPA-CMPLNLGQSA-N -1 3 384.404 -0.884 20 0 GBADHM C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571238168 953226631 /nfs/dbraw/zinc/22/66/31/953226631.db2.gz VUGUQTDZBZKQPA-CMPLNLGQSA-N -1 3 384.404 -0.884 20 0 GBADHM C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571238169 953226624 /nfs/dbraw/zinc/22/66/24/953226624.db2.gz VUGUQTDZBZKQPA-JQWIXIFHSA-N -1 3 384.404 -0.884 20 0 GBADHM C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571238169 953226622 /nfs/dbraw/zinc/22/66/22/953226622.db2.gz VUGUQTDZBZKQPA-JQWIXIFHSA-N -1 3 384.404 -0.884 20 0 GBADHM C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571238170 953226662 /nfs/dbraw/zinc/22/66/62/953226662.db2.gz VUGUQTDZBZKQPA-PWSUYJOCSA-N -1 3 384.404 -0.884 20 0 GBADHM C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571238170 953226661 /nfs/dbraw/zinc/22/66/61/953226661.db2.gz VUGUQTDZBZKQPA-PWSUYJOCSA-N -1 3 384.404 -0.884 20 0 GBADHM C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571238171 953226172 /nfs/dbraw/zinc/22/61/72/953226172.db2.gz VUGUQTDZBZKQPA-ZYHUDNBSSA-N -1 3 384.404 -0.884 20 0 GBADHM C[C@@H]1CN(C(=O)Cn2ncn(C)c2=O)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571238171 953226169 /nfs/dbraw/zinc/22/61/69/953226169.db2.gz VUGUQTDZBZKQPA-ZYHUDNBSSA-N -1 3 384.404 -0.884 20 0 GBADHM CCn1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571238174 953226685 /nfs/dbraw/zinc/22/66/85/953226685.db2.gz VXDQABDYHNWTMZ-LLVKDONJSA-N -1 3 384.404 -0.241 20 0 GBADHM CCn1nc(C)c(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571238174 953226684 /nfs/dbraw/zinc/22/66/84/953226684.db2.gz VXDQABDYHNWTMZ-LLVKDONJSA-N -1 3 384.404 -0.241 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238175 953226221 /nfs/dbraw/zinc/22/62/21/953226221.db2.gz WACBTUXOVGYMMB-GXSJLCMTSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238175 953226219 /nfs/dbraw/zinc/22/62/19/953226219.db2.gz WACBTUXOVGYMMB-GXSJLCMTSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238176 953226637 /nfs/dbraw/zinc/22/66/37/953226637.db2.gz WACBTUXOVGYMMB-KOLCDFICSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238176 953226636 /nfs/dbraw/zinc/22/66/36/953226636.db2.gz WACBTUXOVGYMMB-KOLCDFICSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238177 953226228 /nfs/dbraw/zinc/22/62/28/953226228.db2.gz WACBTUXOVGYMMB-MWLCHTKSSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238177 953226225 /nfs/dbraw/zinc/22/62/25/953226225.db2.gz WACBTUXOVGYMMB-MWLCHTKSSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238178 953226665 /nfs/dbraw/zinc/22/66/65/953226665.db2.gz WACBTUXOVGYMMB-ONGXEEELSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238178 953226664 /nfs/dbraw/zinc/22/66/64/953226664.db2.gz WACBTUXOVGYMMB-ONGXEEELSA-N -1 3 384.404 -0.254 20 0 GBADHM O=C([C@H]1COC(=O)N1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571238179 953226697 /nfs/dbraw/zinc/22/66/97/953226697.db2.gz WCZBFVCOMXVACC-PXAZEXFGSA-N -1 3 384.400 -0.201 20 0 GBADHM O=C([C@H]1COC(=O)N1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571238179 953226696 /nfs/dbraw/zinc/22/66/96/953226696.db2.gz WCZBFVCOMXVACC-PXAZEXFGSA-N -1 3 384.400 -0.201 20 0 GBADHM O=C([C@@H]1COC(=O)N1)N1CC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571238180 953226272 /nfs/dbraw/zinc/22/62/72/953226272.db2.gz WCZBFVCOMXVACC-SJCJKPOMSA-N -1 3 384.400 -0.201 20 0 GBADHM O=C([C@@H]1COC(=O)N1)N1CC[C@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571238180 953226268 /nfs/dbraw/zinc/22/62/68/953226268.db2.gz WCZBFVCOMXVACC-SJCJKPOMSA-N -1 3 384.400 -0.201 20 0 GBADHM O=C([C@H]1COC(=O)N1)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571238181 953226451 /nfs/dbraw/zinc/22/64/51/953226451.db2.gz WCZBFVCOMXVACC-SJKOYZFVSA-N -1 3 384.400 -0.201 20 0 GBADHM O=C([C@H]1COC(=O)N1)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571238181 953226447 /nfs/dbraw/zinc/22/64/47/953226447.db2.gz WCZBFVCOMXVACC-SJKOYZFVSA-N -1 3 384.400 -0.201 20 0 GBADHM O=C([C@@H]1COC(=O)N1)N1CC[C@@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571238182 953226659 /nfs/dbraw/zinc/22/66/59/953226659.db2.gz WCZBFVCOMXVACC-YVEFUNNKSA-N -1 3 384.400 -0.201 20 0 GBADHM O=C([C@@H]1COC(=O)N1)N1CC[C@@]2(CCN(c3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571238182 953226658 /nfs/dbraw/zinc/22/66/58/953226658.db2.gz WCZBFVCOMXVACC-YVEFUNNKSA-N -1 3 384.400 -0.201 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)CCC(=O)N1 ZINC001571238183 953226619 /nfs/dbraw/zinc/22/66/19/953226619.db2.gz WDANJVZZFFQVHV-MVOOWBETSA-N -1 3 384.400 -0.950 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(C(=O)c4ccc(-c5nnn[n-]5)[nH]4)C[C@H]32)CCC(=O)N1 ZINC001571238183 953226618 /nfs/dbraw/zinc/22/66/18/953226618.db2.gz WDANJVZZFFQVHV-MVOOWBETSA-N -1 3 384.400 -0.950 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001571238184 953226178 /nfs/dbraw/zinc/22/61/78/953226178.db2.gz WEZOZDRBUBCEJN-NXEZZACHSA-N -1 3 384.404 -0.016 20 0 GBADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001571238185 953226399 /nfs/dbraw/zinc/22/63/99/953226399.db2.gz WEZOZDRBUBCEJN-UWVGGRQHSA-N -1 3 384.404 -0.016 20 0 GBADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001571238186 953226092 /nfs/dbraw/zinc/22/60/92/953226092.db2.gz WEZOZDRBUBCEJN-VHSXEESVSA-N -1 3 384.404 -0.016 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001571238187 953226667 /nfs/dbraw/zinc/22/66/67/953226667.db2.gz WEZOZDRBUBCEJN-ZJUUUORDSA-N -1 3 384.404 -0.016 20 0 GBADHM CCCn1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)nn1 ZINC001571238208 953226390 /nfs/dbraw/zinc/22/63/90/953226390.db2.gz WOVBIRFGLXRUSP-YPMHNXCESA-N -1 3 384.404 -0.757 20 0 GBADHM CCCn1cc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)nn1 ZINC001571238208 953226384 /nfs/dbraw/zinc/22/63/84/953226384.db2.gz WOVBIRFGLXRUSP-YPMHNXCESA-N -1 3 384.404 -0.757 20 0 GBADHM CC[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571238211 953226682 /nfs/dbraw/zinc/22/66/82/953226682.db2.gz WRBNXRBQHFDVAL-CMPLNLGQSA-N -1 3 384.404 -0.254 20 0 GBADHM CC[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571238211 953226681 /nfs/dbraw/zinc/22/66/81/953226681.db2.gz WRBNXRBQHFDVAL-CMPLNLGQSA-N -1 3 384.404 -0.254 20 0 GBADHM 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CCc1cc(C(=O)N2CCO[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)[nH]n1 ZINC001571238268 953227449 /nfs/dbraw/zinc/22/74/49/953227449.db2.gz YHLWWJQZNYNQFH-NSHDSACASA-N -1 3 384.404 -0.105 20 0 GBADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)CCn2ccnn2)C1 ZINC001571238270 953227126 /nfs/dbraw/zinc/22/71/26/953227126.db2.gz YIVVGVSLARSOQK-JTQLQIEISA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(C(=O)CCn2ccnn2)C1 ZINC001571238270 953227124 /nfs/dbraw/zinc/22/71/24/953227124.db2.gz YIVVGVSLARSOQK-JTQLQIEISA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)CCn2ccnn2)C1 ZINC001571238271 953227292 /nfs/dbraw/zinc/22/72/92/953227292.db2.gz YIVVGVSLARSOQK-SNVBAGLBSA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(C(=O)CCn2ccnn2)C1 ZINC001571238271 953227288 /nfs/dbraw/zinc/22/72/88/953227288.db2.gz YIVVGVSLARSOQK-SNVBAGLBSA-N -1 3 384.404 -0.547 20 0 GBADHM CCn1ncc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C)n1 ZINC001571238281 953227104 /nfs/dbraw/zinc/22/71/04/953227104.db2.gz YNBVWEGQYQNPEP-NOZJJQNGSA-N -1 3 384.404 -0.303 20 0 GBADHM CCn1ncc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C)n1 ZINC001571238281 953227101 /nfs/dbraw/zinc/22/71/01/953227101.db2.gz YNBVWEGQYQNPEP-NOZJJQNGSA-N -1 3 384.404 -0.303 20 0 GBADHM Cc1cc[nH]c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001571238306 953227109 /nfs/dbraw/zinc/22/71/09/953227109.db2.gz ZEBNNIJBHPLXFA-AAEUAGOBSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1cc[nH]c1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001571238306 953227108 /nfs/dbraw/zinc/22/71/08/953227108.db2.gz ZEBNNIJBHPLXFA-AAEUAGOBSA-N -1 3 384.400 -0.163 20 0 GBADHM Cc1cc[nH]c1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001571238307 953227363 /nfs/dbraw/zinc/22/73/63/953227363.db2.gz ZEBNNIJBHPLXFA-DGCLKSJQSA-N -1 3 384.400 -0.163 20 0 GBADHM 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ZINC001571238327 953228063 /nfs/dbraw/zinc/22/80/63/953228063.db2.gz ZSGFQBXUKPRNTH-FZMZJTMJSA-N -1 3 384.404 -0.419 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001571238328 953227838 /nfs/dbraw/zinc/22/78/38/953227838.db2.gz ZSGFQBXUKPRNTH-RISCZKNCSA-N -1 3 384.404 -0.419 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001571238328 953227834 /nfs/dbraw/zinc/22/78/34/953227834.db2.gz ZSGFQBXUKPRNTH-RISCZKNCSA-N -1 3 384.404 -0.419 20 0 GBADHM C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001571238329 953227919 /nfs/dbraw/zinc/22/79/19/953227919.db2.gz ZSGFQBXUKPRNTH-SMDDNHRTSA-N -1 3 384.404 -0.419 20 0 GBADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H]1CN(C(=O)Cn2cncn2)CCO1 ZINC001571238329 953227917 /nfs/dbraw/zinc/22/79/17/953227917.db2.gz ZSGFQBXUKPRNTH-SMDDNHRTSA-N -1 3 384.404 -0.419 20 0 GBADHM CCn1cc(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)nn1 ZINC001571238330 953228243 /nfs/dbraw/zinc/22/82/43/953228243.db2.gz ZTMULKPIWRSDQC-UHFFFAOYSA-N -1 3 384.404 -0.206 20 0 GBADHM CCn1cc(C(=O)N2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)nn1 ZINC001571238330 953228240 /nfs/dbraw/zinc/22/82/40/953228240.db2.gz ZTMULKPIWRSDQC-UHFFFAOYSA-N -1 3 384.404 -0.206 20 0 GBADHM Cc1noc(C)c1CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001571238331 953228422 /nfs/dbraw/zinc/22/84/22/953228422.db2.gz ZUCCCCVYUFSWOE-ZIAGYGMSSA-N -1 3 384.400 -0.225 20 0 GBADHM Cc1noc(C)c1CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001571238331 953228421 /nfs/dbraw/zinc/22/84/21/953228421.db2.gz ZUCCCCVYUFSWOE-ZIAGYGMSSA-N -1 3 384.400 -0.225 20 0 GBADHM Cn1cnc(C(=O)N2CCC(O)(CNc3ccc(-c4nn[n-]n4)cn3)CC2)n1 ZINC001571238351 953227967 /nfs/dbraw/zinc/22/79/67/953227967.db2.gz AAWVPUHPSFNMPV-UHFFFAOYSA-N -1 3 384.404 -0.531 20 0 GBADHM Cn1cnc(C(=O)N2CCC(O)(CNc3ccc(-c4nnn[n-]4)cn3)CC2)n1 ZINC001571238351 953227963 /nfs/dbraw/zinc/22/79/63/953227963.db2.gz AAWVPUHPSFNMPV-UHFFFAOYSA-N -1 3 384.404 -0.531 20 0 GBADHM Cn1cnc(C(=O)NCC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001571238352 953228145 /nfs/dbraw/zinc/22/81/45/953228145.db2.gz ACKBGPOQFOAMDP-UHFFFAOYSA-N -1 3 384.404 -0.395 20 0 GBADHM Cn1cnc(C(=O)NCC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001571238352 953228144 /nfs/dbraw/zinc/22/81/44/953228144.db2.gz ACKBGPOQFOAMDP-UHFFFAOYSA-N -1 3 384.404 -0.395 20 0 GBADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001571238353 953228468 /nfs/dbraw/zinc/22/84/68/953228468.db2.gz AEHPSKQKXKBQGX-DGCLKSJQSA-N -1 3 384.404 -0.668 20 0 GBADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1NC(=O)c1cn(C)nn1 ZINC001571238353 953228466 /nfs/dbraw/zinc/22/84/66/953228466.db2.gz AEHPSKQKXKBQGX-DGCLKSJQSA-N -1 3 384.404 -0.668 20 0 GBADHM Cc1cncn1CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571238362 953228463 /nfs/dbraw/zinc/22/84/63/953228463.db2.gz APZLJJKMGBZGGN-GFCCVEGCSA-N -1 3 384.404 -0.499 20 0 GBADHM Cc1cncn1CC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571238362 953228461 /nfs/dbraw/zinc/22/84/61/953228461.db2.gz APZLJJKMGBZGGN-GFCCVEGCSA-N -1 3 384.404 -0.499 20 0 GBADHM Cc1cncn1CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571238363 953228217 /nfs/dbraw/zinc/22/82/17/953228217.db2.gz APZLJJKMGBZGGN-LBPRGKRZSA-N -1 3 384.404 -0.499 20 0 GBADHM Cc1cncn1CC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571238363 953228215 /nfs/dbraw/zinc/22/82/15/953228215.db2.gz APZLJJKMGBZGGN-LBPRGKRZSA-N -1 3 384.404 -0.499 20 0 GBADHM O=C(Cc1cnc[nH]1)N1CCCO[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571238365 953227939 /nfs/dbraw/zinc/22/79/39/953227939.db2.gz ATBQLWXMZHIHEG-GFCCVEGCSA-N -1 3 384.404 -0.926 20 0 GBADHM O=C(Cc1cnc[nH]1)N1CCCO[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571238366 953228453 /nfs/dbraw/zinc/22/84/53/953228453.db2.gz ATBQLWXMZHIHEG-LBPRGKRZSA-N -1 3 384.404 -0.926 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2(C)C)nn1 ZINC001571238370 953228015 /nfs/dbraw/zinc/22/80/15/953228015.db2.gz ATZWCGKVDHUUSG-GFCCVEGCSA-N -1 3 384.404 -0.396 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2(C)C)nn1 ZINC001571238370 953228013 /nfs/dbraw/zinc/22/80/13/953228013.db2.gz ATZWCGKVDHUUSG-GFCCVEGCSA-N -1 3 384.404 -0.396 20 0 GBADHM Cn1cc(C(=O)N[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2(C)C)nn1 ZINC001571238371 953228388 /nfs/dbraw/zinc/22/83/88/953228388.db2.gz ATZWCGKVDHUUSG-LBPRGKRZSA-N -1 3 384.404 -0.396 20 0 GBADHM Cn1cc(C(=O)N[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2(C)C)nn1 ZINC001571238371 953228386 /nfs/dbraw/zinc/22/83/86/953228386.db2.gz ATZWCGKVDHUUSG-LBPRGKRZSA-N -1 3 384.404 -0.396 20 0 GBADHM CN(C(=O)c1cnn(C)c1N)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571238379 953227823 /nfs/dbraw/zinc/22/78/23/953227823.db2.gz BBTFPVXJWLNUHE-JTQLQIEISA-N -1 3 384.404 -0.503 20 0 GBADHM CN(C(=O)c1cnn(C)c1N)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571238379 953227817 /nfs/dbraw/zinc/22/78/17/953227817.db2.gz BBTFPVXJWLNUHE-JTQLQIEISA-N -1 3 384.404 -0.503 20 0 GBADHM CN(C(=O)c1cnn(C)c1N)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571238380 953228411 /nfs/dbraw/zinc/22/84/11/953228411.db2.gz BBTFPVXJWLNUHE-SNVBAGLBSA-N -1 3 384.404 -0.503 20 0 GBADHM CN(C(=O)c1cnn(C)c1N)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571238380 953228409 /nfs/dbraw/zinc/22/84/09/953228409.db2.gz BBTFPVXJWLNUHE-SNVBAGLBSA-N -1 3 384.404 -0.503 20 0 GBADHM CCn1nncc1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238385 953228200 /nfs/dbraw/zinc/22/82/00/953228200.db2.gz BDUZCKKMJWYRSF-AOOOYVTPSA-N -1 3 384.404 -0.255 20 0 GBADHM CCn1nncc1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238385 953228196 /nfs/dbraw/zinc/22/81/96/953228196.db2.gz BDUZCKKMJWYRSF-AOOOYVTPSA-N -1 3 384.404 -0.255 20 0 GBADHM CCn1nncc1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571238387 953228177 /nfs/dbraw/zinc/22/81/77/953228177.db2.gz BGCJPJTXFNOAMA-LLVKDONJSA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1nncc1C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571238387 953228175 /nfs/dbraw/zinc/22/81/75/953228175.db2.gz BGCJPJTXFNOAMA-LLVKDONJSA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1nncc1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571238388 953228477 /nfs/dbraw/zinc/22/84/77/953228477.db2.gz BGCJPJTXFNOAMA-NSHDSACASA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1nncc1C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571238388 953228476 /nfs/dbraw/zinc/22/84/76/953228476.db2.gz BGCJPJTXFNOAMA-NSHDSACASA-N -1 3 384.404 -0.207 20 0 GBADHM Cn1ncc(C(=O)N2CCC[C@](CO)(Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571238390 953228298 /nfs/dbraw/zinc/22/82/98/953228298.db2.gz BHKLACFKHVBKCV-INIZCTEOSA-N -1 3 384.404 -0.531 20 0 GBADHM Cn1ncc(C(=O)N2CCC[C@](CO)(Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571238390 953228296 /nfs/dbraw/zinc/22/82/96/953228296.db2.gz BHKLACFKHVBKCV-INIZCTEOSA-N -1 3 384.404 -0.531 20 0 GBADHM Cn1ncc(C(=O)N2CCC[C@@](CO)(Nc3ncccc3-c3nn[n-]n3)C2)n1 ZINC001571238391 953227980 /nfs/dbraw/zinc/22/79/80/953227980.db2.gz BHKLACFKHVBKCV-MRXNPFEDSA-N -1 3 384.404 -0.531 20 0 GBADHM Cn1ncc(C(=O)N2CCC[C@@](CO)(Nc3ncccc3-c3nnn[n-]3)C2)n1 ZINC001571238391 953227977 /nfs/dbraw/zinc/22/79/77/953227977.db2.gz BHKLACFKHVBKCV-MRXNPFEDSA-N -1 3 384.404 -0.531 20 0 GBADHM Cn1ncc(CCC(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571238396 953228793 /nfs/dbraw/zinc/22/87/93/953228793.db2.gz BHXQGVOASDCVLC-LBPRGKRZSA-N -1 3 384.404 -0.713 20 0 GBADHM Cn1ncc(CCC(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571238396 953228789 /nfs/dbraw/zinc/22/87/89/953228789.db2.gz BHXQGVOASDCVLC-LBPRGKRZSA-N -1 3 384.404 -0.713 20 0 GBADHM O=C(Cn1cncn1)N1CCC(O)(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001571238397 953228843 /nfs/dbraw/zinc/22/88/43/953228843.db2.gz BIJORRGDOQGXQO-UHFFFAOYSA-N -1 3 384.404 -0.681 20 0 GBADHM O=C(Cn1cncn1)N1CCC(O)(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001571238397 953228840 /nfs/dbraw/zinc/22/88/40/953228840.db2.gz BIJORRGDOQGXQO-UHFFFAOYSA-N -1 3 384.404 -0.681 20 0 GBADHM O=C(N[C@H]1CCN(Cc2nnc3n2CCOC3)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238400 953229089 /nfs/dbraw/zinc/22/90/89/953229089.db2.gz BJGGLIZHTDFGNT-NSHDSACASA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(N[C@H]1CCN(Cc2nnc3n2CCOC3)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238400 953229088 /nfs/dbraw/zinc/22/90/88/953229088.db2.gz BJGGLIZHTDFGNT-NSHDSACASA-N -1 3 384.404 -0.679 20 0 GBADHM Cc1nn(CC(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c(=O)n1C ZINC001571238416 953229317 /nfs/dbraw/zinc/22/93/17/953229317.db2.gz BYZOVSJYKGNZNL-HAQNSBGRSA-N -1 3 384.404 -0.775 20 0 GBADHM Cc1nn(CC(=O)N[C@H]2C[C@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(=O)n1C ZINC001571238416 953229314 /nfs/dbraw/zinc/22/93/14/953229314.db2.gz BYZOVSJYKGNZNL-HAQNSBGRSA-N -1 3 384.404 -0.775 20 0 GBADHM Cn1cc(C(=O)NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001571238418 953229278 /nfs/dbraw/zinc/22/92/78/953229278.db2.gz CBFLRXXAKAQDMI-LLVKDONJSA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1cc(C(=O)NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001571238418 953229274 /nfs/dbraw/zinc/22/92/74/953229274.db2.gz CBFLRXXAKAQDMI-LLVKDONJSA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1cc(C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001571238419 953229108 /nfs/dbraw/zinc/22/91/08/953229108.db2.gz CBFLRXXAKAQDMI-NSHDSACASA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1cc(C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001571238419 953229106 /nfs/dbraw/zinc/22/91/06/953229106.db2.gz CBFLRXXAKAQDMI-NSHDSACASA-N -1 3 384.404 -0.252 20 0 GBADHM CO[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001571238420 953228771 /nfs/dbraw/zinc/22/87/71/953228771.db2.gz CCVZUKIJFKYVJI-CHWSQXEVSA-N -1 3 384.404 -0.981 20 0 GBADHM CN(C(=O)c1cnn(C)c1N)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238425 953228934 /nfs/dbraw/zinc/22/89/34/953228934.db2.gz CEISESXDKHGBGO-SECBINFHSA-N -1 3 384.404 -0.503 20 0 GBADHM CN(C(=O)c1cnn(C)c1N)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238425 953228930 /nfs/dbraw/zinc/22/89/30/953228930.db2.gz CEISESXDKHGBGO-SECBINFHSA-N -1 3 384.404 -0.503 20 0 GBADHM CN(C(=O)c1cnn(C)c1N)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238426 953229289 /nfs/dbraw/zinc/22/92/89/953229289.db2.gz CEISESXDKHGBGO-VIFPVBQESA-N -1 3 384.404 -0.503 20 0 GBADHM CN(C(=O)c1cnn(C)c1N)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238426 953229286 /nfs/dbraw/zinc/22/92/86/953229286.db2.gz CEISESXDKHGBGO-VIFPVBQESA-N -1 3 384.404 -0.503 20 0 GBADHM C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571238431 953228676 /nfs/dbraw/zinc/22/86/76/953228676.db2.gz CFJSPTLHLWWFEJ-GHMZBOCLSA-N -1 3 384.404 -0.689 20 0 GBADHM C[C@@H]1CN(C(=O)Cn2nccn2)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571238431 953228673 /nfs/dbraw/zinc/22/86/73/953228673.db2.gz CFJSPTLHLWWFEJ-GHMZBOCLSA-N -1 3 384.404 -0.689 20 0 GBADHM Cn1ncc(C(=O)N2CCC(O)(CNc3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001571238432 953228948 /nfs/dbraw/zinc/22/89/48/953228948.db2.gz CFTIFPNZSOYDHU-UHFFFAOYSA-N -1 3 384.404 -0.531 20 0 GBADHM Cn1ncc(C(=O)N2CCC(O)(CNc3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001571238432 953228946 /nfs/dbraw/zinc/22/89/46/953228946.db2.gz CFTIFPNZSOYDHU-UHFFFAOYSA-N -1 3 384.404 -0.531 20 0 GBADHM Cn1cc(C(=O)NC2(C)CCN(c3nccnc3-c3nnn[n-]3)CC2)[nH]c1=O ZINC001571238436 953228700 /nfs/dbraw/zinc/22/87/00/953228700.db2.gz CKRWZNIMYDJUFD-UHFFFAOYSA-N -1 3 384.404 -0.115 20 0 GBADHM O=C(Cc1cnc[nH]1)N1CCC[C@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238463 953229188 /nfs/dbraw/zinc/22/91/88/953229188.db2.gz DKBHIQFIATUEAS-INIZCTEOSA-N -1 3 384.404 -0.612 20 0 GBADHM O=C(Cc1cnc[nH]1)N1CCC[C@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238463 953229186 /nfs/dbraw/zinc/22/91/86/953229186.db2.gz DKBHIQFIATUEAS-INIZCTEOSA-N -1 3 384.404 -0.612 20 0 GBADHM O=C(Cc1cnc[nH]1)N1CCC[C@@](CO)(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571238464 953229122 /nfs/dbraw/zinc/22/91/22/953229122.db2.gz DKBHIQFIATUEAS-MRXNPFEDSA-N -1 3 384.404 -0.612 20 0 GBADHM O=C(Cc1cnc[nH]1)N1CCC[C@@](CO)(Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571238464 953229120 /nfs/dbraw/zinc/22/91/20/953229120.db2.gz DKBHIQFIATUEAS-MRXNPFEDSA-N -1 3 384.404 -0.612 20 0 GBADHM Cc1c(C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nnn1C ZINC001571238473 953229499 /nfs/dbraw/zinc/22/94/99/953229499.db2.gz DODBDPXLAQIYMV-UHFFFAOYSA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)NC2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nnn1C ZINC001571238473 953229498 /nfs/dbraw/zinc/22/94/98/953229498.db2.gz DODBDPXLAQIYMV-UHFFFAOYSA-N -1 3 384.404 -0.335 20 0 GBADHM CN(C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)c1ncn(C)n1 ZINC001571238483 953229711 /nfs/dbraw/zinc/22/97/11/953229711.db2.gz DVXQALHNBYEMLA-LLVKDONJSA-N -1 3 384.404 -0.300 20 0 GBADHM CN(C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)c1ncn(C)n1 ZINC001571238483 953229707 /nfs/dbraw/zinc/22/97/07/953229707.db2.gz DVXQALHNBYEMLA-LLVKDONJSA-N -1 3 384.404 -0.300 20 0 GBADHM CN(C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)c1ncn(C)n1 ZINC001571238484 953230277 /nfs/dbraw/zinc/23/02/77/953230277.db2.gz DVXQALHNBYEMLA-NSHDSACASA-N -1 3 384.404 -0.300 20 0 GBADHM CN(C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)c1ncn(C)n1 ZINC001571238484 953230276 /nfs/dbraw/zinc/23/02/76/953230276.db2.gz DVXQALHNBYEMLA-NSHDSACASA-N -1 3 384.404 -0.300 20 0 GBADHM CCn1nncc1C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571238486 953229467 /nfs/dbraw/zinc/22/94/67/953229467.db2.gz DXQNCQRAVDXVEW-YPMHNXCESA-N -1 3 384.404 -0.839 20 0 GBADHM CCn1nncc1C(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571238486 953229465 /nfs/dbraw/zinc/22/94/65/953229465.db2.gz DXQNCQRAVDXVEW-YPMHNXCESA-N -1 3 384.404 -0.839 20 0 GBADHM Cc1c(C(=O)N2CCC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)nnn1C ZINC001571238492 953229966 /nfs/dbraw/zinc/22/99/66/953229966.db2.gz DZUQLDADEPYMJH-UHFFFAOYSA-N -1 3 384.404 -0.334 20 0 GBADHM Cc1c(C(=O)N2CCC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)nnn1C ZINC001571238492 953229964 /nfs/dbraw/zinc/22/99/64/953229964.db2.gz DZUQLDADEPYMJH-UHFFFAOYSA-N -1 3 384.404 -0.334 20 0 GBADHM Cn1ncc(C(=O)NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571238505 953229903 /nfs/dbraw/zinc/22/99/03/953229903.db2.gz FPIAGXIBCLYQRT-LLVKDONJSA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1ncc(C(=O)NC[C@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571238505 953229901 /nfs/dbraw/zinc/22/99/01/953229901.db2.gz FPIAGXIBCLYQRT-LLVKDONJSA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1ncc(C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001571238506 953229539 /nfs/dbraw/zinc/22/95/39/953229539.db2.gz FPIAGXIBCLYQRT-NSHDSACASA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1ncc(C(=O)NC[C@@H]2CCCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001571238506 953229536 /nfs/dbraw/zinc/22/95/36/953229536.db2.gz FPIAGXIBCLYQRT-NSHDSACASA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1cnn(CC(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c1=O ZINC001571238511 953229956 /nfs/dbraw/zinc/22/99/56/953229956.db2.gz FQDDTRGQQQTHDE-GFCCVEGCSA-N -1 3 384.404 -0.740 20 0 GBADHM Cn1cnn(CC(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c1=O ZINC001571238511 953229952 /nfs/dbraw/zinc/22/99/52/953229952.db2.gz FQDDTRGQQQTHDE-GFCCVEGCSA-N -1 3 384.404 -0.740 20 0 GBADHM O=C(c1cc[nH]n1)N1CCC[C@@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001571238516 953229757 /nfs/dbraw/zinc/22/97/57/953229757.db2.gz FUFWBYJRSBNKIO-LLVKDONJSA-N -1 3 384.404 -0.517 20 0 GBADHM O=C(c1cc[nH]n1)N1CCC[C@@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001571238516 953229756 /nfs/dbraw/zinc/22/97/56/953229756.db2.gz FUFWBYJRSBNKIO-LLVKDONJSA-N -1 3 384.404 -0.517 20 0 GBADHM O=C(c1cc[nH]n1)N1CCC[C@H](N(CCO)c2nccnc2-c2nn[n-]n2)C1 ZINC001571238517 953229794 /nfs/dbraw/zinc/22/97/94/953229794.db2.gz FUFWBYJRSBNKIO-NSHDSACASA-N -1 3 384.404 -0.517 20 0 GBADHM O=C(c1cc[nH]n1)N1CCC[C@H](N(CCO)c2nccnc2-c2nnn[n-]2)C1 ZINC001571238517 953229790 /nfs/dbraw/zinc/22/97/90/953229790.db2.gz FUFWBYJRSBNKIO-NSHDSACASA-N -1 3 384.404 -0.517 20 0 GBADHM Cn1nncc1C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238518 953230231 /nfs/dbraw/zinc/23/02/31/953230231.db2.gz FUMVTEHTJGAAAW-LLVKDONJSA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1nncc1C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238518 953230227 /nfs/dbraw/zinc/23/02/27/953230227.db2.gz FUMVTEHTJGAAAW-LLVKDONJSA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1nncc1C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238519 953230087 /nfs/dbraw/zinc/23/00/87/953230087.db2.gz FUMVTEHTJGAAAW-NSHDSACASA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1nncc1C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238519 953230083 /nfs/dbraw/zinc/23/00/83/953230083.db2.gz FUMVTEHTJGAAAW-NSHDSACASA-N -1 3 384.404 -0.252 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCOC2(CN(CCn3cncn3)C2)C1 ZINC001571238526 953229553 /nfs/dbraw/zinc/22/95/53/953229553.db2.gz GATXAOJLDHUDED-UHFFFAOYSA-N -1 3 384.404 -0.987 20 0 GBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCOC2(CN(CCn3cncn3)C2)C1 ZINC001571238526 953229550 /nfs/dbraw/zinc/22/95/50/953229550.db2.gz GATXAOJLDHUDED-UHFFFAOYSA-N -1 3 384.404 -0.987 20 0 GBADHM Cn1ncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)c1N ZINC001571238532 953229873 /nfs/dbraw/zinc/22/98/73/953229873.db2.gz GDNLBKZQUHRCES-LLVKDONJSA-N -1 3 384.404 -0.787 20 0 GBADHM Cn1ncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)c1N ZINC001571238532 953229872 /nfs/dbraw/zinc/22/98/72/953229872.db2.gz GDNLBKZQUHRCES-LLVKDONJSA-N -1 3 384.404 -0.787 20 0 GBADHM Cn1ncc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCO2)c1N ZINC001571238533 953229479 /nfs/dbraw/zinc/22/94/79/953229479.db2.gz GDNLBKZQUHRCES-NSHDSACASA-N -1 3 384.404 -0.787 20 0 GBADHM Cn1ncc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCO2)c1N ZINC001571238533 953229475 /nfs/dbraw/zinc/22/94/75/953229475.db2.gz GDNLBKZQUHRCES-NSHDSACASA-N -1 3 384.404 -0.787 20 0 GBADHM Cn1cnc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571238536 953229634 /nfs/dbraw/zinc/22/96/34/953229634.db2.gz GIUPGIWZABBNTF-NXEZZACHSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1cnc(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571238536 953229628 /nfs/dbraw/zinc/22/96/28/953229628.db2.gz GIUPGIWZABBNTF-NXEZZACHSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1cnc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571238537 953230102 /nfs/dbraw/zinc/23/01/02/953230102.db2.gz GIUPGIWZABBNTF-UWVGGRQHSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1cnc(C(=O)NC[C@H]2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571238537 953230095 /nfs/dbraw/zinc/23/00/95/953230095.db2.gz GIUPGIWZABBNTF-UWVGGRQHSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1cnc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571238538 953229890 /nfs/dbraw/zinc/22/98/90/953229890.db2.gz GIUPGIWZABBNTF-VHSXEESVSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1cnc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571238538 953229889 /nfs/dbraw/zinc/22/98/89/953229889.db2.gz GIUPGIWZABBNTF-VHSXEESVSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1cnc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571238539 953229829 /nfs/dbraw/zinc/22/98/29/953229829.db2.gz GIUPGIWZABBNTF-ZJUUUORDSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1cnc(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571238539 953229827 /nfs/dbraw/zinc/22/98/27/953229827.db2.gz GIUPGIWZABBNTF-ZJUUUORDSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1ncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCCO2)n1 ZINC001571238543 953229620 /nfs/dbraw/zinc/22/96/20/953229620.db2.gz GOSFWNSCTDZIEE-GFCCVEGCSA-N -1 3 384.404 -0.585 20 0 GBADHM Cn1ncc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCCO2)n1 ZINC001571238543 953229616 /nfs/dbraw/zinc/22/96/16/953229616.db2.gz GOSFWNSCTDZIEE-GFCCVEGCSA-N -1 3 384.404 -0.585 20 0 GBADHM Cn1ncc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CCCO2)n1 ZINC001571238544 953229722 /nfs/dbraw/zinc/22/97/22/953229722.db2.gz GOSFWNSCTDZIEE-LBPRGKRZSA-N -1 3 384.404 -0.585 20 0 GBADHM Cn1ncc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CCCO2)n1 ZINC001571238544 953229718 /nfs/dbraw/zinc/22/97/18/953229718.db2.gz GOSFWNSCTDZIEE-LBPRGKRZSA-N -1 3 384.404 -0.585 20 0 GBADHM O=C(NCC1CN(Cc2nnc3n2CCOC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571238545 953229731 /nfs/dbraw/zinc/22/97/31/953229731.db2.gz GPKBMQRNARCUOV-UHFFFAOYSA-N -1 3 384.404 -0.822 20 0 GBADHM O=C(NCC1CN(Cc2nnc3n2CCOC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571238545 953229728 /nfs/dbraw/zinc/22/97/28/953229728.db2.gz GPKBMQRNARCUOV-UHFFFAOYSA-N -1 3 384.404 -0.822 20 0 GBADHM CN(C(=O)Cn1ncn(C)c1=O)C1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571238549 953229869 /nfs/dbraw/zinc/22/98/69/953229869.db2.gz GSMULNWYHAVTBN-UHFFFAOYSA-N -1 3 384.404 -0.742 20 0 GBADHM CN(C(=O)Cn1ncn(C)c1=O)C1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571238549 953229868 /nfs/dbraw/zinc/22/98/68/953229868.db2.gz GSMULNWYHAVTBN-UHFFFAOYSA-N -1 3 384.404 -0.742 20 0 GBADHM Cc1nc(NC[C@@H]2CN(C(=O)c3cnn(C)n3)CCO2)ccc1-c1nn[n-]n1 ZINC001571238552 953231068 /nfs/dbraw/zinc/23/10/68/953231068.db2.gz GWMBSMLRJAZGTF-LLVKDONJSA-N -1 3 384.404 -0.348 20 0 GBADHM Cc1nc(NC[C@@H]2CN(C(=O)c3cnn(C)n3)CCO2)ccc1-c1nnn[n-]1 ZINC001571238552 953231065 /nfs/dbraw/zinc/23/10/65/953231065.db2.gz GWMBSMLRJAZGTF-LLVKDONJSA-N -1 3 384.404 -0.348 20 0 GBADHM Cc1nc(NC[C@H]2CN(C(=O)c3cnn(C)n3)CCO2)ccc1-c1nn[n-]n1 ZINC001571238553 953230883 /nfs/dbraw/zinc/23/08/83/953230883.db2.gz GWMBSMLRJAZGTF-NSHDSACASA-N -1 3 384.404 -0.348 20 0 GBADHM Cc1nc(NC[C@H]2CN(C(=O)c3cnn(C)n3)CCO2)ccc1-c1nnn[n-]1 ZINC001571238553 953230880 /nfs/dbraw/zinc/23/08/80/953230880.db2.gz GWMBSMLRJAZGTF-NSHDSACASA-N -1 3 384.404 -0.348 20 0 GBADHM O=C(c1cn[nH]n1)N1CCC[C@@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571238555 953230604 /nfs/dbraw/zinc/23/06/04/953230604.db2.gz GYGFLEIAQQMZGU-GFCCVEGCSA-N -1 3 384.404 -0.517 20 0 GBADHM O=C(c1cn[nH]n1)N1CCC[C@@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571238555 953230601 /nfs/dbraw/zinc/23/06/01/953230601.db2.gz GYGFLEIAQQMZGU-GFCCVEGCSA-N -1 3 384.404 -0.517 20 0 GBADHM O=C(c1cn[nH]n1)N1CCC[C@H](N(CCO)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571238556 953230654 /nfs/dbraw/zinc/23/06/54/953230654.db2.gz GYGFLEIAQQMZGU-LBPRGKRZSA-N -1 3 384.404 -0.517 20 0 GBADHM O=C(c1cn[nH]n1)N1CCC[C@H](N(CCO)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571238556 953230653 /nfs/dbraw/zinc/23/06/53/953230653.db2.gz GYGFLEIAQQMZGU-LBPRGKRZSA-N -1 3 384.404 -0.517 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001571238560 953231116 /nfs/dbraw/zinc/23/11/16/953231116.db2.gz HAUXHRSDSJHZIA-UHFFFAOYSA-N -1 3 384.404 -0.451 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCN(C(=O)Cn2cncn2)CC1 ZINC001571238560 953231114 /nfs/dbraw/zinc/23/11/14/953231114.db2.gz HAUXHRSDSJHZIA-UHFFFAOYSA-N -1 3 384.404 -0.451 20 0 GBADHM Cc1c(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)nnn1C ZINC001571238561 953230663 /nfs/dbraw/zinc/23/06/63/953230663.db2.gz HBPOMPZSSZIJCI-GZMMTYOYSA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)nnn1C ZINC001571238561 953230661 /nfs/dbraw/zinc/23/06/61/953230661.db2.gz HBPOMPZSSZIJCI-GZMMTYOYSA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)nnn1C ZINC001571238562 953230860 /nfs/dbraw/zinc/23/08/60/953230860.db2.gz HBPOMPZSSZIJCI-KCJUWKMLSA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)nnn1C ZINC001571238562 953230856 /nfs/dbraw/zinc/23/08/56/953230856.db2.gz HBPOMPZSSZIJCI-KCJUWKMLSA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)nnn1C ZINC001571238563 953230646 /nfs/dbraw/zinc/23/06/46/953230646.db2.gz HBPOMPZSSZIJCI-KWQFWETISA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)nnn1C ZINC001571238563 953230645 /nfs/dbraw/zinc/23/06/45/953230645.db2.gz HBPOMPZSSZIJCI-KWQFWETISA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C)nnn1C ZINC001571238564 953230871 /nfs/dbraw/zinc/23/08/71/953230871.db2.gz HBPOMPZSSZIJCI-LDYMZIIASA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C)nnn1C ZINC001571238564 953230867 /nfs/dbraw/zinc/23/08/67/953230867.db2.gz HBPOMPZSSZIJCI-LDYMZIIASA-N -1 3 384.404 -0.335 20 0 GBADHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNC(=O)c1ncn(C)n1 ZINC001571238570 953230591 /nfs/dbraw/zinc/23/05/91/953230591.db2.gz HFJPLBYPURMZAE-NXEZZACHSA-N -1 3 384.404 -0.539 20 0 GBADHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNC(=O)c1ncn(C)n1 ZINC001571238570 953230587 /nfs/dbraw/zinc/23/05/87/953230587.db2.gz HFJPLBYPURMZAE-NXEZZACHSA-N -1 3 384.404 -0.539 20 0 GBADHM Cn1cnn(CC(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)cn2)c1=O ZINC001571238573 953231089 /nfs/dbraw/zinc/23/10/89/953231089.db2.gz HHNZVZIBUVLZPH-GFCCVEGCSA-N -1 3 384.404 -0.740 20 0 GBADHM Cn1cnn(CC(=O)N2CCC[C@@H]2CNc2ccc(-c3nnn[n-]3)cn2)c1=O ZINC001571238573 953231087 /nfs/dbraw/zinc/23/10/87/953231087.db2.gz HHNZVZIBUVLZPH-GFCCVEGCSA-N -1 3 384.404 -0.740 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001571238590 953231013 /nfs/dbraw/zinc/23/10/13/953231013.db2.gz HNVBGOYXJNVPMZ-UHFFFAOYSA-N -1 3 384.404 -0.300 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCN(C(=O)c2cn(C)nn2)CC1 ZINC001571238590 953231010 /nfs/dbraw/zinc/23/10/10/953231010.db2.gz HNVBGOYXJNVPMZ-UHFFFAOYSA-N -1 3 384.404 -0.300 20 0 GBADHM Cc1nc(N2C[C@@H](NC(=O)[C@@H](C)n3cncn3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571238591 953230825 /nfs/dbraw/zinc/23/08/25/953230825.db2.gz HONBXQJRXHMQKK-RTXFEEFZSA-N -1 3 384.404 -0.911 20 0 GBADHM Cc1nc(N2C[C@@H](NC(=O)[C@@H](C)n3cncn3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571238591 953230822 /nfs/dbraw/zinc/23/08/22/953230822.db2.gz HONBXQJRXHMQKK-RTXFEEFZSA-N -1 3 384.404 -0.911 20 0 GBADHM Cc1nc(N2C[C@@H](NC(=O)[C@H](C)n3cncn3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571238592 953230452 /nfs/dbraw/zinc/23/04/52/953230452.db2.gz HONBXQJRXHMQKK-UHTWSYAYSA-N -1 3 384.404 -0.911 20 0 GBADHM Cc1nc(N2C[C@@H](NC(=O)[C@H](C)n3cncn3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571238592 953230448 /nfs/dbraw/zinc/23/04/48/953230448.db2.gz HONBXQJRXHMQKK-UHTWSYAYSA-N -1 3 384.404 -0.911 20 0 GBADHM CN(C)Cc1cc(C(=O)N[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571238593 953230940 /nfs/dbraw/zinc/23/09/40/953230940.db2.gz HPTMYAYAIKEZEX-JTQLQIEISA-N -1 3 384.404 -0.285 20 0 GBADHM CN(C)Cc1cc(C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)no1 ZINC001571238594 953230790 /nfs/dbraw/zinc/23/07/90/953230790.db2.gz HPTMYAYAIKEZEX-SNVBAGLBSA-N -1 3 384.404 -0.285 20 0 GBADHM CN(C[C@H]1CCN1C(=O)CCn1cncn1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238595 953230764 /nfs/dbraw/zinc/23/07/64/953230764.db2.gz HQFOLBBINGMAHA-GFCCVEGCSA-N -1 3 384.404 -0.451 20 0 GBADHM CN(C[C@H]1CCN1C(=O)CCn1cncn1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238595 953230762 /nfs/dbraw/zinc/23/07/62/953230762.db2.gz HQFOLBBINGMAHA-GFCCVEGCSA-N -1 3 384.404 -0.451 20 0 GBADHM CN(C[C@@H]1CCN1C(=O)CCn1cncn1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571238596 953230685 /nfs/dbraw/zinc/23/06/85/953230685.db2.gz HQFOLBBINGMAHA-LBPRGKRZSA-N -1 3 384.404 -0.451 20 0 GBADHM CN(C[C@@H]1CCN1C(=O)CCn1cncn1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571238596 953230684 /nfs/dbraw/zinc/23/06/84/953230684.db2.gz HQFOLBBINGMAHA-LBPRGKRZSA-N -1 3 384.404 -0.451 20 0 GBADHM Cn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001571238601 953230745 /nfs/dbraw/zinc/23/07/45/953230745.db2.gz IANTYCALDFZVEJ-GXSJLCMTSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1cc(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001571238601 953230742 /nfs/dbraw/zinc/23/07/42/953230742.db2.gz IANTYCALDFZVEJ-GXSJLCMTSA-N -1 3 384.404 -0.348 20 0 GBADHM Cc1c(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nnn1C ZINC001571238606 953231004 /nfs/dbraw/zinc/23/10/04/953231004.db2.gz IFPGLEOUHJXWRY-JGZJWPJOSA-N -1 3 384.404 -0.430 20 0 GBADHM Cc1c(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nnn1C ZINC001571238606 953231002 /nfs/dbraw/zinc/23/10/02/953231002.db2.gz IFPGLEOUHJXWRY-JGZJWPJOSA-N -1 3 384.404 -0.430 20 0 GBADHM Cc1nnc(CC(=O)N2CC[C@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC001571238626 953230692 /nfs/dbraw/zinc/23/06/92/953230692.db2.gz IQPKTRYDZYAEHA-JTQLQIEISA-N -1 3 384.404 -0.463 20 0 GBADHM Cc1nnc(CC(=O)N2CC[C@@H]2CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[nH]1 ZINC001571238627 953230980 /nfs/dbraw/zinc/23/09/80/953230980.db2.gz IQPKTRYDZYAEHA-SNVBAGLBSA-N -1 3 384.404 -0.463 20 0 GBADHM Cc1nn[nH]c1C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571238645 953231549 /nfs/dbraw/zinc/23/15/49/953231549.db2.gz JGBGCDVDMPXURU-JTQLQIEISA-N -1 3 384.404 -0.096 20 0 GBADHM Cc1nn[nH]c1C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571238646 953231320 /nfs/dbraw/zinc/23/13/20/953231320.db2.gz JGBGCDVDMPXURU-SNVBAGLBSA-N -1 3 384.404 -0.096 20 0 GBADHM Cn1cnc(C(=O)N2CCC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571238657 953231508 /nfs/dbraw/zinc/23/15/08/953231508.db2.gz JONBOWWCSVTYQN-JTQLQIEISA-N -1 3 384.404 -0.395 20 0 GBADHM Cn1cnc(C(=O)N2CCC[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571238657 953231505 /nfs/dbraw/zinc/23/15/05/953231505.db2.gz JONBOWWCSVTYQN-JTQLQIEISA-N -1 3 384.404 -0.395 20 0 GBADHM Cn1cnc(C(=O)N2CCC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001571238658 953231451 /nfs/dbraw/zinc/23/14/51/953231451.db2.gz JONBOWWCSVTYQN-SNVBAGLBSA-N -1 3 384.404 -0.395 20 0 GBADHM Cn1cnc(C(=O)N2CCC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001571238658 953231449 /nfs/dbraw/zinc/23/14/49/953231449.db2.gz JONBOWWCSVTYQN-SNVBAGLBSA-N -1 3 384.404 -0.395 20 0 GBADHM CCn1nncc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238661 953231555 /nfs/dbraw/zinc/23/15/55/953231555.db2.gz JPLWKMBVQVOQKR-AOOOYVTPSA-N -1 3 384.404 -0.255 20 0 GBADHM CCn1nncc1C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238661 953231552 /nfs/dbraw/zinc/23/15/52/953231552.db2.gz JPLWKMBVQVOQKR-AOOOYVTPSA-N -1 3 384.404 -0.255 20 0 GBADHM CCn1nncc1C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238666 953231526 /nfs/dbraw/zinc/23/15/26/953231526.db2.gz JQWYBDPEWVLACO-JTQLQIEISA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1nncc1C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238666 953231523 /nfs/dbraw/zinc/23/15/23/953231523.db2.gz JQWYBDPEWVLACO-JTQLQIEISA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1nncc1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238667 953231387 /nfs/dbraw/zinc/23/13/87/953231387.db2.gz JQWYBDPEWVLACO-SNVBAGLBSA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1nncc1C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238667 953231385 /nfs/dbraw/zinc/23/13/85/953231385.db2.gz JQWYBDPEWVLACO-SNVBAGLBSA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1nncc1C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1 ZINC001571238672 953231285 /nfs/dbraw/zinc/23/12/85/953231285.db2.gz JVEOKAZEXYQLGZ-LLVKDONJSA-N -1 3 384.404 -0.492 20 0 GBADHM CCn1nncc1C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1 ZINC001571238672 953231283 /nfs/dbraw/zinc/23/12/83/953231283.db2.gz JVEOKAZEXYQLGZ-LLVKDONJSA-N -1 3 384.404 -0.492 20 0 GBADHM CCn1nncc1C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1 ZINC001571238673 953231445 /nfs/dbraw/zinc/23/14/45/953231445.db2.gz JVEOKAZEXYQLGZ-NSHDSACASA-N -1 3 384.404 -0.492 20 0 GBADHM CCn1nncc1C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1 ZINC001571238673 953231442 /nfs/dbraw/zinc/23/14/42/953231442.db2.gz JVEOKAZEXYQLGZ-NSHDSACASA-N -1 3 384.404 -0.492 20 0 GBADHM CN(C[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571238681 953231559 /nfs/dbraw/zinc/23/15/59/953231559.db2.gz JZIQGNCPOLPSFS-JTQLQIEISA-N -1 3 384.404 -0.063 20 0 GBADHM CN(C[C@H]1CCCN(C(=O)c2nc[nH]n2)C1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571238682 953231617 /nfs/dbraw/zinc/23/16/17/953231617.db2.gz JZIQGNCPOLPSFS-SNVBAGLBSA-N -1 3 384.404 -0.063 20 0 GBADHM Cn1cnc(C(=O)N2CCC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571238684 953231695 /nfs/dbraw/zinc/23/16/95/953231695.db2.gz KDALDVCJHFXZHW-JTQLQIEISA-N -1 3 384.404 -0.395 20 0 GBADHM Cn1cnc(C(=O)N2CCC[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571238684 953231689 /nfs/dbraw/zinc/23/16/89/953231689.db2.gz KDALDVCJHFXZHW-JTQLQIEISA-N -1 3 384.404 -0.395 20 0 GBADHM Cn1cnc(C(=O)N2CCC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571238685 953231816 /nfs/dbraw/zinc/23/18/16/953231816.db2.gz KDALDVCJHFXZHW-SNVBAGLBSA-N -1 3 384.404 -0.395 20 0 GBADHM Cn1cnc(C(=O)N2CCC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571238685 953231810 /nfs/dbraw/zinc/23/18/10/953231810.db2.gz KDALDVCJHFXZHW-SNVBAGLBSA-N -1 3 384.404 -0.395 20 0 GBADHM Cn1cnc(C(=O)N2CCC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001571238694 953231306 /nfs/dbraw/zinc/23/13/06/953231306.db2.gz KJJOIVKNJASGGG-UHFFFAOYSA-N -1 3 384.404 -0.395 20 0 GBADHM Cn1cnc(C(=O)N2CCC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001571238694 953231303 /nfs/dbraw/zinc/23/13/03/953231303.db2.gz KJJOIVKNJASGGG-UHFFFAOYSA-N -1 3 384.404 -0.395 20 0 GBADHM Cc1nn[nH]c1C(=O)NC[C@@H]1COCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001571238700 953231374 /nfs/dbraw/zinc/23/13/74/953231374.db2.gz KKFQLVOJUJYWJM-LLVKDONJSA-N -1 3 384.404 -0.368 20 0 GBADHM Cc1nn[nH]c1C(=O)NC[C@@H]1COCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001571238700 953231372 /nfs/dbraw/zinc/23/13/72/953231372.db2.gz KKFQLVOJUJYWJM-LLVKDONJSA-N -1 3 384.404 -0.368 20 0 GBADHM Cc1nn[nH]c1C(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001571238701 953231796 /nfs/dbraw/zinc/23/17/96/953231796.db2.gz KKFQLVOJUJYWJM-NSHDSACASA-N -1 3 384.404 -0.368 20 0 GBADHM Cc1nn[nH]c1C(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001571238701 953231792 /nfs/dbraw/zinc/23/17/92/953231792.db2.gz KKFQLVOJUJYWJM-NSHDSACASA-N -1 3 384.404 -0.368 20 0 GBADHM CN(C(=O)c1cn(C)c(=O)[nH]1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571238706 953231266 /nfs/dbraw/zinc/23/12/66/953231266.db2.gz KQJHHTQCKXBJJU-UHFFFAOYSA-N -1 3 384.404 -0.163 20 0 GBADHM Cc1nn[nH]c1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1O ZINC001571238708 953231368 /nfs/dbraw/zinc/23/13/68/953231368.db2.gz KRNAKKHIOCOBAX-NEPJUHHUSA-N -1 3 384.404 -0.634 20 0 GBADHM Cc1nn[nH]c1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001571238709 953231257 /nfs/dbraw/zinc/23/12/57/953231257.db2.gz KRNAKKHIOCOBAX-NWDGAFQWSA-N -1 3 384.404 -0.634 20 0 GBADHM Cc1nn[nH]c1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1O ZINC001571238710 953231612 /nfs/dbraw/zinc/23/16/12/953231612.db2.gz KRNAKKHIOCOBAX-RYUDHWBXSA-N -1 3 384.404 -0.634 20 0 GBADHM Cc1nn[nH]c1C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001571238711 953231586 /nfs/dbraw/zinc/23/15/86/953231586.db2.gz KRNAKKHIOCOBAX-VXGBXAGGSA-N -1 3 384.404 -0.634 20 0 GBADHM CCn1nncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238712 953232228 /nfs/dbraw/zinc/23/22/28/953232228.db2.gz KRTUWZPQQHUCQL-JTQLQIEISA-N -1 3 384.404 -0.302 20 0 GBADHM CCn1nncc1C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238712 953232223 /nfs/dbraw/zinc/23/22/23/953232223.db2.gz KRTUWZPQQHUCQL-JTQLQIEISA-N -1 3 384.404 -0.302 20 0 GBADHM CCn1nncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238713 953232149 /nfs/dbraw/zinc/23/21/49/953232149.db2.gz KRTUWZPQQHUCQL-SNVBAGLBSA-N -1 3 384.404 -0.302 20 0 GBADHM CCn1nncc1C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238713 953232147 /nfs/dbraw/zinc/23/21/47/953232147.db2.gz KRTUWZPQQHUCQL-SNVBAGLBSA-N -1 3 384.404 -0.302 20 0 GBADHM Cc1nn(CC(=O)N2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)c(=O)n1C ZINC001571238722 953231985 /nfs/dbraw/zinc/23/19/85/953231985.db2.gz LDXJAASCFZFRKN-GFCCVEGCSA-N -1 3 384.404 -0.822 20 0 GBADHM Cc1nn(CC(=O)N2CC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)c(=O)n1C ZINC001571238722 953231984 /nfs/dbraw/zinc/23/19/84/953231984.db2.gz LDXJAASCFZFRKN-GFCCVEGCSA-N -1 3 384.404 -0.822 20 0 GBADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)c3cn(C)c(=O)[nH]3)C2)n1 ZINC001571238726 953232292 /nfs/dbraw/zinc/23/22/92/953232292.db2.gz LPXFYRYMSZXUBX-JTQLQIEISA-N -1 3 384.404 -0.022 20 0 GBADHM Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)c3cn(C)c(=O)[nH]3)C2)n1 ZINC001571238727 953232698 /nfs/dbraw/zinc/23/26/98/953232698.db2.gz LPXFYRYMSZXUBX-SNVBAGLBSA-N -1 3 384.404 -0.022 20 0 GBADHM Cn1nncc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001571238739 953232424 /nfs/dbraw/zinc/23/24/24/953232424.db2.gz LXVGVOCENAVVSH-GFCCVEGCSA-N -1 3 384.404 -0.396 20 0 GBADHM Cn1nncc1C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001571238739 953232422 /nfs/dbraw/zinc/23/24/22/953232422.db2.gz LXVGVOCENAVVSH-GFCCVEGCSA-N -1 3 384.404 -0.396 20 0 GBADHM Cn1nncc1C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001571238740 953232139 /nfs/dbraw/zinc/23/21/39/953232139.db2.gz LXVGVOCENAVVSH-LBPRGKRZSA-N -1 3 384.404 -0.396 20 0 GBADHM Cn1nncc1C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001571238740 953232135 /nfs/dbraw/zinc/23/21/35/953232135.db2.gz LXVGVOCENAVVSH-LBPRGKRZSA-N -1 3 384.404 -0.396 20 0 GBADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001571238744 953232161 /nfs/dbraw/zinc/23/21/61/953232161.db2.gz MDALDUNODPBUDM-CHWSQXEVSA-N -1 3 384.404 -0.668 20 0 GBADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cnn(C)n1 ZINC001571238744 953232158 /nfs/dbraw/zinc/23/21/58/953232158.db2.gz MDALDUNODPBUDM-CHWSQXEVSA-N -1 3 384.404 -0.668 20 0 GBADHM Cn1ncnc1CN1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2 ZINC001571238745 953232282 /nfs/dbraw/zinc/23/22/82/953232282.db2.gz MDDWWIXFWLKXNS-JTQLQIEISA-N -1 3 384.404 -0.903 20 0 GBADHM Cn1ncnc1CN1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2 ZINC001571238745 953232280 /nfs/dbraw/zinc/23/22/80/953232280.db2.gz MDDWWIXFWLKXNS-JTQLQIEISA-N -1 3 384.404 -0.903 20 0 GBADHM Cn1ncnc1CN1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2 ZINC001571238746 953232009 /nfs/dbraw/zinc/23/20/09/953232009.db2.gz MDDWWIXFWLKXNS-SNVBAGLBSA-N -1 3 384.404 -0.903 20 0 GBADHM Cn1ncnc1CN1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2 ZINC001571238746 953232007 /nfs/dbraw/zinc/23/20/07/953232007.db2.gz MDDWWIXFWLKXNS-SNVBAGLBSA-N -1 3 384.404 -0.903 20 0 GBADHM Cc1nccn1CC(=O)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238749 953232252 /nfs/dbraw/zinc/23/22/52/953232252.db2.gz MDRSTMMXEAMVFU-GFCCVEGCSA-N -1 3 384.404 -0.499 20 0 GBADHM Cc1nccn1CC(=O)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238749 953232251 /nfs/dbraw/zinc/23/22/51/953232251.db2.gz MDRSTMMXEAMVFU-GFCCVEGCSA-N -1 3 384.404 -0.499 20 0 GBADHM Cc1nccn1CC(=O)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571238750 953232515 /nfs/dbraw/zinc/23/25/15/953232515.db2.gz MDRSTMMXEAMVFU-LBPRGKRZSA-N -1 3 384.404 -0.499 20 0 GBADHM Cc1nccn1CC(=O)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571238750 953232513 /nfs/dbraw/zinc/23/25/13/953232513.db2.gz MDRSTMMXEAMVFU-LBPRGKRZSA-N -1 3 384.404 -0.499 20 0 GBADHM Cc1n[nH]c(C)c1NC(=O)CN1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571238753 953232438 /nfs/dbraw/zinc/23/24/38/953232438.db2.gz MFWPOBOFHDSICU-UHFFFAOYSA-N -1 3 384.404 -0.413 20 0 GBADHM Cc1n[nH]c(C)c1NC(=O)CN1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571238753 953232437 /nfs/dbraw/zinc/23/24/37/953232437.db2.gz MFWPOBOFHDSICU-UHFFFAOYSA-N -1 3 384.404 -0.413 20 0 GBADHM Cn1cnc(C(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCCO2)n1 ZINC001571238797 953233178 /nfs/dbraw/zinc/23/31/78/953233178.db2.gz MWGNBDGUWBHPJJ-GFCCVEGCSA-N -1 3 384.404 -0.585 20 0 GBADHM Cn1cnc(C(=O)NC[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCCO2)n1 ZINC001571238797 953233176 /nfs/dbraw/zinc/23/31/76/953233176.db2.gz MWGNBDGUWBHPJJ-GFCCVEGCSA-N -1 3 384.404 -0.585 20 0 GBADHM Cn1cnc(C(=O)NC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)CCCO2)n1 ZINC001571238798 953232865 /nfs/dbraw/zinc/23/28/65/953232865.db2.gz MWGNBDGUWBHPJJ-LBPRGKRZSA-N -1 3 384.404 -0.585 20 0 GBADHM Cn1cnc(C(=O)NC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)CCCO2)n1 ZINC001571238798 953232859 /nfs/dbraw/zinc/23/28/59/953232859.db2.gz MWGNBDGUWBHPJJ-LBPRGKRZSA-N -1 3 384.404 -0.585 20 0 GBADHM Cn1nncc1C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238858 953232893 /nfs/dbraw/zinc/23/28/93/953232893.db2.gz NTWZSXTZCLLBDF-NXEZZACHSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1nncc1C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238858 953232889 /nfs/dbraw/zinc/23/28/89/953232889.db2.gz NTWZSXTZCLLBDF-NXEZZACHSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1nncc1C(=O)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238859 953233431 /nfs/dbraw/zinc/23/34/31/953233431.db2.gz NTWZSXTZCLLBDF-UWVGGRQHSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1nncc1C(=O)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238859 953233429 /nfs/dbraw/zinc/23/34/29/953233429.db2.gz NTWZSXTZCLLBDF-UWVGGRQHSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1nncc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238860 953233384 /nfs/dbraw/zinc/23/33/84/953233384.db2.gz NTWZSXTZCLLBDF-VHSXEESVSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1nncc1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238860 953233380 /nfs/dbraw/zinc/23/33/80/953233380.db2.gz NTWZSXTZCLLBDF-VHSXEESVSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1nncc1C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571238861 953233280 /nfs/dbraw/zinc/23/32/80/953233280.db2.gz NTWZSXTZCLLBDF-ZJUUUORDSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1nncc1C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571238861 953233277 /nfs/dbraw/zinc/23/32/77/953233277.db2.gz NTWZSXTZCLLBDF-ZJUUUORDSA-N -1 3 384.404 -0.348 20 0 GBADHM Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nnn1C ZINC001571238882 953234105 /nfs/dbraw/zinc/23/41/05/953234105.db2.gz OEKFJVFUNHECRV-GZMMTYOYSA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nnn1C ZINC001571238882 953234102 /nfs/dbraw/zinc/23/41/02/953234102.db2.gz OEKFJVFUNHECRV-GZMMTYOYSA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nnn1C ZINC001571238884 953233812 /nfs/dbraw/zinc/23/38/12/953233812.db2.gz OEKFJVFUNHECRV-KCJUWKMLSA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nnn1C ZINC001571238884 953233807 /nfs/dbraw/zinc/23/38/07/953233807.db2.gz OEKFJVFUNHECRV-KCJUWKMLSA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nnn1C ZINC001571238887 953233833 /nfs/dbraw/zinc/23/38/33/953233833.db2.gz OEKFJVFUNHECRV-KWQFWETISA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nnn1C ZINC001571238887 953233830 /nfs/dbraw/zinc/23/38/30/953233830.db2.gz OEKFJVFUNHECRV-KWQFWETISA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nnn1C ZINC001571238889 953233748 /nfs/dbraw/zinc/23/37/48/953233748.db2.gz OEKFJVFUNHECRV-LDYMZIIASA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nnn1C ZINC001571238889 953233744 /nfs/dbraw/zinc/23/37/44/953233744.db2.gz OEKFJVFUNHECRV-LDYMZIIASA-N -1 3 384.404 -0.335 20 0 GBADHM Cn1cnc(C(=O)NC[C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571238899 953233711 /nfs/dbraw/zinc/23/37/11/953233711.db2.gz OHAVIHMEJAMIJL-LLVKDONJSA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1cnc(C(=O)NC[C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571238899 953233705 /nfs/dbraw/zinc/23/37/05/953233705.db2.gz OHAVIHMEJAMIJL-LLVKDONJSA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1cnc(C(=O)NC[C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571238901 953233922 /nfs/dbraw/zinc/23/39/22/953233922.db2.gz OHAVIHMEJAMIJL-NSHDSACASA-N -1 3 384.404 -0.252 20 0 GBADHM Cn1cnc(C(=O)NC[C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571238901 953233919 /nfs/dbraw/zinc/23/39/19/953233919.db2.gz OHAVIHMEJAMIJL-NSHDSACASA-N -1 3 384.404 -0.252 20 0 GBADHM O=C(Cn1cncn1)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571238914 953234259 /nfs/dbraw/zinc/23/42/59/953234259.db2.gz OLRCEAUGDGLPMY-CYBMUJFWSA-N -1 3 384.404 -0.417 20 0 GBADHM O=C(Cn1cncn1)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571238914 953234258 /nfs/dbraw/zinc/23/42/58/953234258.db2.gz OLRCEAUGDGLPMY-CYBMUJFWSA-N -1 3 384.404 -0.417 20 0 GBADHM O=C(Cn1cncn1)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571238957 953234908 /nfs/dbraw/zinc/23/49/08/953234908.db2.gz OLRCEAUGDGLPMY-ZDUSSCGKSA-N -1 3 384.404 -0.417 20 0 GBADHM O=C(Cn1cncn1)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571238957 953234906 /nfs/dbraw/zinc/23/49/06/953234906.db2.gz OLRCEAUGDGLPMY-ZDUSSCGKSA-N -1 3 384.404 -0.417 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571238958 953234634 /nfs/dbraw/zinc/23/46/34/953234634.db2.gz OLVOIEMLQMSQMO-GXSJLCMTSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571238958 953234631 /nfs/dbraw/zinc/23/46/31/953234631.db2.gz OLVOIEMLQMSQMO-GXSJLCMTSA-N -1 3 384.404 -0.348 20 0 GBADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]1 ZINC001571238959 953234452 /nfs/dbraw/zinc/23/44/52/953234452.db2.gz OOVBQMBHXHZAEL-PRHODGIISA-N -1 3 384.404 -0.559 20 0 GBADHM Cc1nnc(CC(=O)N2C[C@@H](C)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)[nH]1 ZINC001571238959 953234449 /nfs/dbraw/zinc/23/44/49/953234449.db2.gz OOVBQMBHXHZAEL-PRHODGIISA-N -1 3 384.404 -0.559 20 0 GBADHM O=C(N[C@@H]1CCN(Cc2nnc3n2CCOC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571238963 953234874 /nfs/dbraw/zinc/23/48/74/953234874.db2.gz OSKFPBYHHYDKES-LLVKDONJSA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(N[C@@H]1CCN(Cc2nnc3n2CCOC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571238963 953234872 /nfs/dbraw/zinc/23/48/72/953234872.db2.gz OSKFPBYHHYDKES-LLVKDONJSA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(N[C@H]1CCN(Cc2nnc3n2CCOC3)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571238967 953234696 /nfs/dbraw/zinc/23/46/96/953234696.db2.gz OSKFPBYHHYDKES-NSHDSACASA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(N[C@H]1CCN(Cc2nnc3n2CCOC3)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571238967 953234692 /nfs/dbraw/zinc/23/46/92/953234692.db2.gz OSKFPBYHHYDKES-NSHDSACASA-N -1 3 384.404 -0.679 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2(C)C)n1 ZINC001571238983 953235007 /nfs/dbraw/zinc/23/50/07/953235007.db2.gz OWEQNSGVULSYET-GFCCVEGCSA-N -1 3 384.404 -0.396 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2(C)C)n1 ZINC001571238983 953235001 /nfs/dbraw/zinc/23/50/01/953235001.db2.gz OWEQNSGVULSYET-GFCCVEGCSA-N -1 3 384.404 -0.396 20 0 GBADHM Cn1ncc(C(=O)N[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2(C)C)n1 ZINC001571238986 953234625 /nfs/dbraw/zinc/23/46/25/953234625.db2.gz OWEQNSGVULSYET-LBPRGKRZSA-N -1 3 384.404 -0.396 20 0 GBADHM Cn1ncc(C(=O)N[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2(C)C)n1 ZINC001571238986 953234623 /nfs/dbraw/zinc/23/46/23/953234623.db2.gz OWEQNSGVULSYET-LBPRGKRZSA-N -1 3 384.404 -0.396 20 0 GBADHM O=C(Cc1cc[nH]n1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571239001 953234593 /nfs/dbraw/zinc/23/45/93/953234593.db2.gz PAFIYPWMZOEQHE-UHFFFAOYSA-N -1 3 384.404 -0.612 20 0 GBADHM O=C(Cc1cc[nH]n1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571239001 953234588 /nfs/dbraw/zinc/23/45/88/953234588.db2.gz PAFIYPWMZOEQHE-UHFFFAOYSA-N -1 3 384.404 -0.612 20 0 GBADHM O=C(CCn1ccnn1)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571239002 953235136 /nfs/dbraw/zinc/23/51/36/953235136.db2.gz PBIDYWZQHKYKPQ-UHFFFAOYSA-N -1 3 384.404 -0.449 20 0 GBADHM O=C(CCn1ccnn1)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571239002 953235134 /nfs/dbraw/zinc/23/51/34/953235134.db2.gz PBIDYWZQHKYKPQ-UHFFFAOYSA-N -1 3 384.404 -0.449 20 0 GBADHM Cc1nn[nH]c1C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001571239013 953234649 /nfs/dbraw/zinc/23/46/49/953234649.db2.gz PCABQWOZZSXARO-GFCCVEGCSA-N -1 3 384.404 -0.286 20 0 GBADHM Cc1nn[nH]c1C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001571239013 953234646 /nfs/dbraw/zinc/23/46/46/953234646.db2.gz PCABQWOZZSXARO-GFCCVEGCSA-N -1 3 384.404 -0.286 20 0 GBADHM Cc1nn[nH]c1C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001571239015 953234751 /nfs/dbraw/zinc/23/47/51/953234751.db2.gz PCABQWOZZSXARO-LBPRGKRZSA-N -1 3 384.404 -0.286 20 0 GBADHM Cc1nn[nH]c1C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001571239015 953234750 /nfs/dbraw/zinc/23/47/50/953234750.db2.gz PCABQWOZZSXARO-LBPRGKRZSA-N -1 3 384.404 -0.286 20 0 GBADHM Cc1c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)nnn1C ZINC001571239028 953235101 /nfs/dbraw/zinc/23/51/01/953235101.db2.gz PGVRSPSSROAVLW-NEPJUHHUSA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)nnn1C ZINC001571239028 953235099 /nfs/dbraw/zinc/23/50/99/953235099.db2.gz PGVRSPSSROAVLW-NEPJUHHUSA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1c(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)nnn1C ZINC001571239030 953234579 /nfs/dbraw/zinc/23/45/79/953234579.db2.gz PGVRSPSSROAVLW-NWDGAFQWSA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1c(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)nnn1C ZINC001571239030 953234575 /nfs/dbraw/zinc/23/45/75/953234575.db2.gz PGVRSPSSROAVLW-NWDGAFQWSA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1c(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@@H]2O)nnn1C ZINC001571239033 953235600 /nfs/dbraw/zinc/23/56/00/953235600.db2.gz PGVRSPSSROAVLW-RYUDHWBXSA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1c(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@@H]2O)nnn1C ZINC001571239033 953235598 /nfs/dbraw/zinc/23/55/98/953235598.db2.gz PGVRSPSSROAVLW-RYUDHWBXSA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)nnn1C ZINC001571239035 953235849 /nfs/dbraw/zinc/23/58/49/953235849.db2.gz PGVRSPSSROAVLW-VXGBXAGGSA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1c(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)nnn1C ZINC001571239035 953235846 /nfs/dbraw/zinc/23/58/46/953235846.db2.gz PGVRSPSSROAVLW-VXGBXAGGSA-N -1 3 384.404 -0.932 20 0 GBADHM Cn1cc(C(=O)N2CCC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)nn1 ZINC001571239042 953235560 /nfs/dbraw/zinc/23/55/60/953235560.db2.gz PJBCTCVMHZCYHL-UHFFFAOYSA-N -1 3 384.404 -0.395 20 0 GBADHM Cn1cc(C(=O)N2CCC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)nn1 ZINC001571239042 953235558 /nfs/dbraw/zinc/23/55/58/953235558.db2.gz PJBCTCVMHZCYHL-UHFFFAOYSA-N -1 3 384.404 -0.395 20 0 GBADHM O=C(N[C@H]1CCN(Cc2nnc3n2CCOC3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571239056 953235900 /nfs/dbraw/zinc/23/59/00/953235900.db2.gz PSMGFKAOBFLTQX-JTQLQIEISA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(N[C@H]1CCN(Cc2nnc3n2CCOC3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571239056 953235896 /nfs/dbraw/zinc/23/58/96/953235896.db2.gz PSMGFKAOBFLTQX-JTQLQIEISA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(N[C@@H]1CCN(Cc2nnc3n2CCOC3)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571239058 953235526 /nfs/dbraw/zinc/23/55/26/953235526.db2.gz PSMGFKAOBFLTQX-SNVBAGLBSA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(N[C@@H]1CCN(Cc2nnc3n2CCOC3)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571239058 953235525 /nfs/dbraw/zinc/23/55/25/953235525.db2.gz PSMGFKAOBFLTQX-SNVBAGLBSA-N -1 3 384.404 -0.679 20 0 GBADHM COCCn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001571239078 953235685 /nfs/dbraw/zinc/23/56/85/953235685.db2.gz PYUUDMAZTBHXIK-LLVKDONJSA-N -1 3 384.404 -0.492 20 0 GBADHM COCCn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001571239078 953235681 /nfs/dbraw/zinc/23/56/81/953235681.db2.gz PYUUDMAZTBHXIK-LLVKDONJSA-N -1 3 384.404 -0.492 20 0 GBADHM COCCn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)nn1 ZINC001571239080 953235838 /nfs/dbraw/zinc/23/58/38/953235838.db2.gz PYUUDMAZTBHXIK-NSHDSACASA-N -1 3 384.404 -0.492 20 0 GBADHM COCCn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C2)nn1 ZINC001571239080 953235836 /nfs/dbraw/zinc/23/58/36/953235836.db2.gz PYUUDMAZTBHXIK-NSHDSACASA-N -1 3 384.404 -0.492 20 0 GBADHM COCCn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)nn1 ZINC001571239083 953235879 /nfs/dbraw/zinc/23/58/79/953235879.db2.gz QAFDCDWIBMDHNV-GFCCVEGCSA-N -1 3 384.404 -0.492 20 0 GBADHM COCCn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)nn1 ZINC001571239083 953235876 /nfs/dbraw/zinc/23/58/76/953235876.db2.gz QAFDCDWIBMDHNV-GFCCVEGCSA-N -1 3 384.404 -0.492 20 0 GBADHM Cc1c(C(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nnn1C ZINC001571239092 953235933 /nfs/dbraw/zinc/23/59/33/953235933.db2.gz QEDYSRMFALQDOY-MRVPVSSYSA-N -1 3 384.404 -0.478 20 0 GBADHM Cc1c(C(=O)N2CC([C@@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nnn1C ZINC001571239092 953235930 /nfs/dbraw/zinc/23/59/30/953235930.db2.gz QEDYSRMFALQDOY-MRVPVSSYSA-N -1 3 384.404 -0.478 20 0 GBADHM Cc1c(C(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nnn1C ZINC001571239095 953235343 /nfs/dbraw/zinc/23/53/43/953235343.db2.gz QEDYSRMFALQDOY-QMMMGPOBSA-N -1 3 384.404 -0.478 20 0 GBADHM Cc1c(C(=O)N2CC([C@H](C)NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nnn1C ZINC001571239095 953235337 /nfs/dbraw/zinc/23/53/37/953235337.db2.gz QEDYSRMFALQDOY-QMMMGPOBSA-N -1 3 384.404 -0.478 20 0 GBADHM O=C(Cn1ccnc1)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571239119 953236591 /nfs/dbraw/zinc/23/65/91/953236591.db2.gz QVNNFXUIGJMGJJ-INIZCTEOSA-N -1 3 384.404 -0.681 20 0 GBADHM O=C(Cn1ccnc1)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571239120 953236281 /nfs/dbraw/zinc/23/62/81/953236281.db2.gz QVNNFXUIGJMGJJ-MRXNPFEDSA-N -1 3 384.404 -0.681 20 0 GBADHM CCn1nncc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001571239121 953236453 /nfs/dbraw/zinc/23/64/53/953236453.db2.gz QVRRXCYHJYJNQE-KOLCDFICSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1nncc1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001571239121 953236450 /nfs/dbraw/zinc/23/64/50/953236450.db2.gz QVRRXCYHJYJNQE-KOLCDFICSA-N -1 3 384.404 -0.161 20 0 GBADHM Cn1cnc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571239130 953236464 /nfs/dbraw/zinc/23/64/64/953236464.db2.gz QWIZWUOEVSQVHJ-INIZCTEOSA-N -1 3 384.404 -0.531 20 0 GBADHM Cn1cnc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571239130 953236460 /nfs/dbraw/zinc/23/64/60/953236460.db2.gz QWIZWUOEVSQVHJ-INIZCTEOSA-N -1 3 384.404 -0.531 20 0 GBADHM Cn1cnc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nn[n-]n4)nc3)C2)n1 ZINC001571239131 953236120 /nfs/dbraw/zinc/23/61/20/953236120.db2.gz QWIZWUOEVSQVHJ-MRXNPFEDSA-N -1 3 384.404 -0.531 20 0 GBADHM Cn1cnc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nnn[n-]4)nc3)C2)n1 ZINC001571239131 953236115 /nfs/dbraw/zinc/23/61/15/953236115.db2.gz QWIZWUOEVSQVHJ-MRXNPFEDSA-N -1 3 384.404 -0.531 20 0 GBADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1n[nH]c(C)c1C ZINC001571239132 953236481 /nfs/dbraw/zinc/23/64/81/953236481.db2.gz QXDOCQWHYNAWJT-VXGBXAGGSA-N -1 3 384.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC001571239262 953237470 /nfs/dbraw/zinc/23/74/70/953237470.db2.gz ROOXPASWXDTDKF-SECBINFHSA-N -1 3 384.404 -0.016 20 0 GBADHM Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](NC(=O)c3cn(C)c(=O)[nH]3)[C@H]2C)n1 ZINC001571239263 953237331 /nfs/dbraw/zinc/23/73/31/953237331.db2.gz RPRWVGBNTLGDOS-ZJUUUORDSA-N -1 3 384.404 -0.199 20 0 GBADHM Cn1cc(C(=O)NC2CCC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)nn1 ZINC001571239267 953237234 /nfs/dbraw/zinc/23/72/34/953237234.db2.gz RTBURGKUROJZJK-UHFFFAOYSA-N -1 3 384.404 -0.206 20 0 GBADHM Cn1cc(C(=O)NC2CCC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)nn1 ZINC001571239267 953237228 /nfs/dbraw/zinc/23/72/28/953237228.db2.gz RTBURGKUROJZJK-UHFFFAOYSA-N -1 3 384.404 -0.206 20 0 GBADHM O=C(NC[C@@H]1CCN1Cc1nnc2n1CCOC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571239268 953237536 /nfs/dbraw/zinc/23/75/36/953237536.db2.gz RUAONTIPRYWPTI-JTQLQIEISA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(NC[C@@H]1CCN1Cc1nnc2n1CCOC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571239268 953237534 /nfs/dbraw/zinc/23/75/34/953237534.db2.gz RUAONTIPRYWPTI-JTQLQIEISA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(NC[C@H]1CCN1Cc1nnc2n1CCOC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571239269 953237373 /nfs/dbraw/zinc/23/73/73/953237373.db2.gz RUAONTIPRYWPTI-SNVBAGLBSA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(NC[C@H]1CCN1Cc1nnc2n1CCOC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571239269 953237369 /nfs/dbraw/zinc/23/73/69/953237369.db2.gz RUAONTIPRYWPTI-SNVBAGLBSA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(CCn1ccnc1)N1CCO[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239276 953238105 /nfs/dbraw/zinc/23/81/05/953238105.db2.gz SAOLACDOAMXHDR-GFCCVEGCSA-N -1 3 384.404 -0.417 20 0 GBADHM O=C(CCn1ccnc1)N1CCO[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239276 953238103 /nfs/dbraw/zinc/23/81/03/953238103.db2.gz SAOLACDOAMXHDR-GFCCVEGCSA-N -1 3 384.404 -0.417 20 0 GBADHM O=C(CCn1ccnc1)N1CCO[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571239277 953238131 /nfs/dbraw/zinc/23/81/31/953238131.db2.gz SAOLACDOAMXHDR-LBPRGKRZSA-N -1 3 384.404 -0.417 20 0 GBADHM O=C(CCn1ccnc1)N1CCO[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571239277 953238129 /nfs/dbraw/zinc/23/81/29/953238129.db2.gz SAOLACDOAMXHDR-LBPRGKRZSA-N -1 3 384.404 -0.417 20 0 GBADHM O=C(CCn1ccnn1)N1CCO[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571239312 953238112 /nfs/dbraw/zinc/23/81/12/953238112.db2.gz SYGTZDIVBRTCRH-GFCCVEGCSA-N -1 3 384.404 -0.417 20 0 GBADHM O=C(CCn1ccnn1)N1CCO[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571239312 953238110 /nfs/dbraw/zinc/23/81/10/953238110.db2.gz SYGTZDIVBRTCRH-GFCCVEGCSA-N -1 3 384.404 -0.417 20 0 GBADHM O=C(CCn1ccnn1)N1CCO[C@@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001571239313 953237660 /nfs/dbraw/zinc/23/76/60/953237660.db2.gz SYGTZDIVBRTCRH-LBPRGKRZSA-N -1 3 384.404 -0.417 20 0 GBADHM O=C(CCn1ccnn1)N1CCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001571239313 953237656 /nfs/dbraw/zinc/23/76/56/953237656.db2.gz SYGTZDIVBRTCRH-LBPRGKRZSA-N -1 3 384.404 -0.417 20 0 GBADHM CCn1nnc(C)c1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571239316 953238158 /nfs/dbraw/zinc/23/81/58/953238158.db2.gz TUNLWEYOFAYDMD-PHIMTYICSA-N -1 3 384.404 -0.195 20 0 GBADHM CCn1nnc(C)c1C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571239316 953238156 /nfs/dbraw/zinc/23/81/56/953238156.db2.gz TUNLWEYOFAYDMD-PHIMTYICSA-N -1 3 384.404 -0.195 20 0 GBADHM Cc1nn[nH]c1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571239323 953237691 /nfs/dbraw/zinc/23/76/91/953237691.db2.gz TXKBOVNKQAFFMS-GXSJLCMTSA-N -1 3 384.404 -0.050 20 0 GBADHM CN(C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)c1ncn(C)n1 ZINC001571239341 953237625 /nfs/dbraw/zinc/23/76/25/953237625.db2.gz UFYHSSHWKJKKPU-JTQLQIEISA-N -1 3 384.404 -0.300 20 0 GBADHM CN(C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)c1ncn(C)n1 ZINC001571239341 953237622 /nfs/dbraw/zinc/23/76/22/953237622.db2.gz UFYHSSHWKJKKPU-JTQLQIEISA-N -1 3 384.404 -0.300 20 0 GBADHM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)c1ncn(C)n1 ZINC001571239442 953239587 /nfs/dbraw/zinc/23/95/87/953239587.db2.gz UFYHSSHWKJKKPU-SNVBAGLBSA-N -1 3 384.404 -0.300 20 0 GBADHM CN(C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)c1ncn(C)n1 ZINC001571239442 953239582 /nfs/dbraw/zinc/23/95/82/953239582.db2.gz UFYHSSHWKJKKPU-SNVBAGLBSA-N -1 3 384.404 -0.300 20 0 GBADHM O=C(NC[C@H]1CCN1Cc1nnc2n1CCOC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571239443 953239259 /nfs/dbraw/zinc/23/92/59/953239259.db2.gz UGZQPTOJVJDRMX-LLVKDONJSA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(NC[C@H]1CCN1Cc1nnc2n1CCOC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571239443 953239256 /nfs/dbraw/zinc/23/92/56/953239256.db2.gz UGZQPTOJVJDRMX-LLVKDONJSA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(NC[C@@H]1CCN1Cc1nnc2n1CCOC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571239444 953239915 /nfs/dbraw/zinc/23/99/15/953239915.db2.gz UGZQPTOJVJDRMX-NSHDSACASA-N -1 3 384.404 -0.679 20 0 GBADHM O=C(NC[C@@H]1CCN1Cc1nnc2n1CCOC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571239444 953239913 /nfs/dbraw/zinc/23/99/13/953239913.db2.gz UGZQPTOJVJDRMX-NSHDSACASA-N -1 3 384.404 -0.679 20 0 GBADHM Cc1nc(NC[C@@H]2CN(C(=O)Cn3cncn3)CCO2)ccc1-c1nn[n-]n1 ZINC001571239445 953239235 /nfs/dbraw/zinc/23/92/35/953239235.db2.gz UHJFNPRYNIVINO-GFCCVEGCSA-N -1 3 384.404 -0.499 20 0 GBADHM Cc1nc(NC[C@@H]2CN(C(=O)Cn3cncn3)CCO2)ccc1-c1nnn[n-]1 ZINC001571239445 953239233 /nfs/dbraw/zinc/23/92/33/953239233.db2.gz UHJFNPRYNIVINO-GFCCVEGCSA-N -1 3 384.404 -0.499 20 0 GBADHM Cc1nc(NC[C@H]2CN(C(=O)Cn3cncn3)CCO2)ccc1-c1nn[n-]n1 ZINC001571239446 953239307 /nfs/dbraw/zinc/23/93/07/953239307.db2.gz UHJFNPRYNIVINO-LBPRGKRZSA-N -1 3 384.404 -0.499 20 0 GBADHM Cc1nc(NC[C@H]2CN(C(=O)Cn3cncn3)CCO2)ccc1-c1nnn[n-]1 ZINC001571239446 953239304 /nfs/dbraw/zinc/23/93/04/953239304.db2.gz UHJFNPRYNIVINO-LBPRGKRZSA-N -1 3 384.404 -0.499 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)c3cnn(C)n3)[C@@H](O)C2)n1 ZINC001571239453 953239766 /nfs/dbraw/zinc/23/97/66/953239766.db2.gz UMOXUMVRPKIXPU-AAEUAGOBSA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)c3cnn(C)n3)[C@@H](O)C2)n1 ZINC001571239453 953239764 /nfs/dbraw/zinc/23/97/64/953239764.db2.gz UMOXUMVRPKIXPU-AAEUAGOBSA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)c3cnn(C)n3)[C@H](O)C2)n1 ZINC001571239454 953239327 /nfs/dbraw/zinc/23/93/27/953239327.db2.gz UMOXUMVRPKIXPU-DGCLKSJQSA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)c3cnn(C)n3)[C@H](O)C2)n1 ZINC001571239454 953239325 /nfs/dbraw/zinc/23/93/25/953239325.db2.gz UMOXUMVRPKIXPU-DGCLKSJQSA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)c3cnn(C)n3)[C@H](O)C2)n1 ZINC001571239455 953239905 /nfs/dbraw/zinc/23/99/05/953239905.db2.gz UMOXUMVRPKIXPU-WCQYABFASA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)c3cnn(C)n3)[C@H](O)C2)n1 ZINC001571239455 953239902 /nfs/dbraw/zinc/23/99/02/953239902.db2.gz UMOXUMVRPKIXPU-WCQYABFASA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)c3cnn(C)n3)[C@@H](O)C2)n1 ZINC001571239456 953239299 /nfs/dbraw/zinc/23/92/99/953239299.db2.gz UMOXUMVRPKIXPU-YPMHNXCESA-N -1 3 384.404 -0.932 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)c3cnn(C)n3)[C@@H](O)C2)n1 ZINC001571239456 953239295 /nfs/dbraw/zinc/23/92/95/953239295.db2.gz UMOXUMVRPKIXPU-YPMHNXCESA-N -1 3 384.404 -0.932 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571239457 953239850 /nfs/dbraw/zinc/23/98/50/953239850.db2.gz UNSLGWNIJMWETR-NXEZZACHSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571239457 953239846 /nfs/dbraw/zinc/23/98/46/953239846.db2.gz UNSLGWNIJMWETR-NXEZZACHSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1ncc(C(=O)N[C@H]2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571239458 953239949 /nfs/dbraw/zinc/23/99/49/953239949.db2.gz UNSLGWNIJMWETR-UWVGGRQHSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1ncc(C(=O)N[C@H]2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571239458 953239945 /nfs/dbraw/zinc/23/99/45/953239945.db2.gz UNSLGWNIJMWETR-UWVGGRQHSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571239459 953239389 /nfs/dbraw/zinc/23/93/89/953239389.db2.gz UNSLGWNIJMWETR-VHSXEESVSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2CC[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571239459 953239383 /nfs/dbraw/zinc/23/93/83/953239383.db2.gz UNSLGWNIJMWETR-VHSXEESVSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1ncc(C(=O)N[C@H]2CC[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571239460 953239886 /nfs/dbraw/zinc/23/98/86/953239886.db2.gz UNSLGWNIJMWETR-ZJUUUORDSA-N -1 3 384.404 -0.348 20 0 GBADHM Cn1ncc(C(=O)N[C@H]2CC[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571239460 953239882 /nfs/dbraw/zinc/23/98/82/953239882.db2.gz UNSLGWNIJMWETR-ZJUUUORDSA-N -1 3 384.404 -0.348 20 0 GBADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)c1nnn(C)c1C ZINC001571239479 953239815 /nfs/dbraw/zinc/23/98/15/953239815.db2.gz VBHDWOXBOIITJA-CHWSQXEVSA-N -1 3 384.404 -0.668 20 0 GBADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)c1nnn(C)c1C ZINC001571239479 953239811 /nfs/dbraw/zinc/23/98/11/953239811.db2.gz VBHDWOXBOIITJA-CHWSQXEVSA-N -1 3 384.404 -0.668 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001571239504 953239863 /nfs/dbraw/zinc/23/98/63/953239863.db2.gz VOMQIVHEJKSHPU-GHMZBOCLSA-N -1 3 384.404 -0.206 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001571239504 953239859 /nfs/dbraw/zinc/23/98/59/953239859.db2.gz VOMQIVHEJKSHPU-GHMZBOCLSA-N -1 3 384.404 -0.206 20 0 GBADHM CCn1nncc1C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571239507 953239827 /nfs/dbraw/zinc/23/98/27/953239827.db2.gz VRHKMQNWLOOAGN-GXSJLCMTSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1nncc1C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571239507 953239823 /nfs/dbraw/zinc/23/98/23/953239823.db2.gz VRHKMQNWLOOAGN-GXSJLCMTSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1nncc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571239508 953239471 /nfs/dbraw/zinc/23/94/71/953239471.db2.gz VRHKMQNWLOOAGN-KOLCDFICSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1nncc1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571239508 953239468 /nfs/dbraw/zinc/23/94/68/953239468.db2.gz VRHKMQNWLOOAGN-KOLCDFICSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1nncc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571239509 953239242 /nfs/dbraw/zinc/23/92/42/953239242.db2.gz VRHKMQNWLOOAGN-MWLCHTKSSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1nncc1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571239509 953239241 /nfs/dbraw/zinc/23/92/41/953239241.db2.gz VRHKMQNWLOOAGN-MWLCHTKSSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1nncc1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571239510 953239408 /nfs/dbraw/zinc/23/94/08/953239408.db2.gz VRHKMQNWLOOAGN-ONGXEEELSA-N -1 3 384.404 -0.161 20 0 GBADHM CCn1nncc1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571239510 953239406 /nfs/dbraw/zinc/23/94/06/953239406.db2.gz VRHKMQNWLOOAGN-ONGXEEELSA-N -1 3 384.404 -0.161 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571239516 953240773 /nfs/dbraw/zinc/24/07/73/953240773.db2.gz VXCFPFOUJXEGAV-LLVKDONJSA-N -1 3 384.404 -0.002 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571239517 953240431 /nfs/dbraw/zinc/24/04/31/953240431.db2.gz VXCFPFOUJXEGAV-NSHDSACASA-N -1 3 384.404 -0.002 20 0 GBADHM Cc1c(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nnn1C ZINC001571239521 953240271 /nfs/dbraw/zinc/24/02/71/953240271.db2.gz WDVZMYFWYPSAFF-LLVKDONJSA-N -1 3 384.404 -0.334 20 0 GBADHM Cc1c(C(=O)N2CCC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nnn1C ZINC001571239521 953240267 /nfs/dbraw/zinc/24/02/67/953240267.db2.gz WDVZMYFWYPSAFF-LLVKDONJSA-N -1 3 384.404 -0.334 20 0 GBADHM Cc1c(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nnn1C ZINC001571239522 953240056 /nfs/dbraw/zinc/24/00/56/953240056.db2.gz WDVZMYFWYPSAFF-NSHDSACASA-N -1 3 384.404 -0.334 20 0 GBADHM Cc1c(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nnn1C ZINC001571239522 953240054 /nfs/dbraw/zinc/24/00/54/953240054.db2.gz WDVZMYFWYPSAFF-NSHDSACASA-N -1 3 384.404 -0.334 20 0 GBADHM Cn1ncc(CCC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571239523 953240499 /nfs/dbraw/zinc/24/04/99/953240499.db2.gz WFOOZAYTXRODCM-GFCCVEGCSA-N -1 3 384.404 -0.713 20 0 GBADHM Cn1ncc(CCC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571239523 953240496 /nfs/dbraw/zinc/24/04/96/953240496.db2.gz WFOOZAYTXRODCM-GFCCVEGCSA-N -1 3 384.404 -0.713 20 0 GBADHM Cn1ncc(CCC(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571239524 953240407 /nfs/dbraw/zinc/24/04/07/953240407.db2.gz WFOOZAYTXRODCM-LBPRGKRZSA-N -1 3 384.404 -0.713 20 0 GBADHM Cn1ncc(CCC(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571239524 953240400 /nfs/dbraw/zinc/24/04/00/953240400.db2.gz WFOOZAYTXRODCM-LBPRGKRZSA-N -1 3 384.404 -0.713 20 0 GBADHM C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001571239530 953240385 /nfs/dbraw/zinc/24/03/85/953240385.db2.gz WHGQXBXQSKQZJL-LLVKDONJSA-N -1 3 384.404 -0.941 20 0 GBADHM C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001571239530 953240381 /nfs/dbraw/zinc/24/03/81/953240381.db2.gz WHGQXBXQSKQZJL-LLVKDONJSA-N -1 3 384.404 -0.941 20 0 GBADHM CO[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)Cn1ccnc1C ZINC001571239531 953240485 /nfs/dbraw/zinc/24/04/85/953240485.db2.gz WJLWLCWGSKKRAB-VXGBXAGGSA-N -1 3 384.404 -0.818 20 0 GBADHM CO[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)Cn1ccnc1C ZINC001571239531 953240482 /nfs/dbraw/zinc/24/04/82/953240482.db2.gz WJLWLCWGSKKRAB-VXGBXAGGSA-N -1 3 384.404 -0.818 20 0 GBADHM CCn1nncc1C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571239540 953240836 /nfs/dbraw/zinc/24/08/36/953240836.db2.gz WRLQEZJTKDUTMF-LLVKDONJSA-N -1 3 384.404 -0.159 20 0 GBADHM CCn1nncc1C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571239540 953240833 /nfs/dbraw/zinc/24/08/33/953240833.db2.gz WRLQEZJTKDUTMF-LLVKDONJSA-N -1 3 384.404 -0.159 20 0 GBADHM CCn1nncc1C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571239541 953240624 /nfs/dbraw/zinc/24/06/24/953240624.db2.gz WRLQEZJTKDUTMF-NSHDSACASA-N -1 3 384.404 -0.159 20 0 GBADHM CCn1nncc1C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571239541 953240620 /nfs/dbraw/zinc/24/06/20/953240620.db2.gz WRLQEZJTKDUTMF-NSHDSACASA-N -1 3 384.404 -0.159 20 0 GBADHM Cc1c(C(=O)N(C)[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nnn1C ZINC001571239672 953242421 /nfs/dbraw/zinc/24/24/21/953242421.db2.gz WXCTWHXSDWLVSM-JTQLQIEISA-N -1 3 384.404 -0.382 20 0 GBADHM Cc1c(C(=O)N(C)[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nnn1C ZINC001571239672 953242418 /nfs/dbraw/zinc/24/24/18/953242418.db2.gz WXCTWHXSDWLVSM-JTQLQIEISA-N -1 3 384.404 -0.382 20 0 GBADHM Cc1c(C(=O)N(C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nnn1C ZINC001571239691 953241676 /nfs/dbraw/zinc/24/16/76/953241676.db2.gz WXCTWHXSDWLVSM-SNVBAGLBSA-N -1 3 384.404 -0.382 20 0 GBADHM Cc1c(C(=O)N(C)[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nnn1C ZINC001571239691 953241672 /nfs/dbraw/zinc/24/16/72/953241672.db2.gz WXCTWHXSDWLVSM-SNVBAGLBSA-N -1 3 384.404 -0.382 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001571239705 953242011 /nfs/dbraw/zinc/24/20/11/953242011.db2.gz WXMJGFCAIIXPBT-SECBINFHSA-N -1 3 384.404 -0.016 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC001571239705 953242008 /nfs/dbraw/zinc/24/20/08/953242008.db2.gz WXMJGFCAIIXPBT-SECBINFHSA-N -1 3 384.404 -0.016 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1CN1CC[C@H](NC(=O)c2nnn(C)n2)C1 ZINC001571239709 953242445 /nfs/dbraw/zinc/24/24/45/953242445.db2.gz WZOKDDYVNCAWLZ-LBPRGKRZSA-N -1 3 384.404 -0.597 20 0 GBADHM CCn1nncc1C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571239724 953242114 /nfs/dbraw/zinc/24/21/14/953242114.db2.gz XGEMWKSHBUZXES-JTQLQIEISA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1nncc1C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571239724 953242109 /nfs/dbraw/zinc/24/21/09/953242109.db2.gz XGEMWKSHBUZXES-JTQLQIEISA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1nncc1C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571239727 953242397 /nfs/dbraw/zinc/24/23/97/953242397.db2.gz XGEMWKSHBUZXES-SNVBAGLBSA-N -1 3 384.404 -0.207 20 0 GBADHM CCn1nncc1C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571239727 953242392 /nfs/dbraw/zinc/24/23/92/953242392.db2.gz XGEMWKSHBUZXES-SNVBAGLBSA-N -1 3 384.404 -0.207 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571239731 953242236 /nfs/dbraw/zinc/24/22/36/953242236.db2.gz XGLJALUPBMHRBJ-UHFFFAOYSA-N -1 3 384.404 -0.096 20 0 GBADHM Cc1nc(C(=O)N2CCC(O)(CNc3ccc(-c4nnn[n-]4)nn3)CC2)c[nH]1 ZINC001571239794 953243110 /nfs/dbraw/zinc/24/31/10/953243110.db2.gz XXTQWSBLQRPELK-UHFFFAOYSA-N -1 3 384.404 -0.233 20 0 GBADHM CN(C)Cc1cc(C(=O)N2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)no1 ZINC001571239795 953242660 /nfs/dbraw/zinc/24/26/60/953242660.db2.gz XZGFIRVMSMCMKE-UHFFFAOYSA-N -1 3 384.404 -0.331 20 0 GBADHM CN(C)Cc1cc(C(=O)N2CCN(c3cnc(-c4nnn[n-]4)cn3)CC2)no1 ZINC001571239795 953242657 /nfs/dbraw/zinc/24/26/57/953242657.db2.gz XZGFIRVMSMCMKE-UHFFFAOYSA-N -1 3 384.404 -0.331 20 0 GBADHM O=C(Cn1cncn1)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571239798 953242756 /nfs/dbraw/zinc/24/27/56/953242756.db2.gz YFKOXDPTILPKFP-LLVKDONJSA-N -1 3 384.404 -0.545 20 0 GBADHM O=C(Cn1cncn1)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571239798 953242754 /nfs/dbraw/zinc/24/27/54/953242754.db2.gz YFKOXDPTILPKFP-LLVKDONJSA-N -1 3 384.404 -0.545 20 0 GBADHM O=C(Cn1cncn1)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571239799 953242769 /nfs/dbraw/zinc/24/27/69/953242769.db2.gz YFKOXDPTILPKFP-NSHDSACASA-N -1 3 384.404 -0.545 20 0 GBADHM O=C(Cn1cncn1)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571239799 953242766 /nfs/dbraw/zinc/24/27/66/953242766.db2.gz YFKOXDPTILPKFP-NSHDSACASA-N -1 3 384.404 -0.545 20 0 GBADHM Cn1ncc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)c1N ZINC001571239828 953243151 /nfs/dbraw/zinc/24/31/51/953243151.db2.gz ZADLHLTZMBFWKE-LLVKDONJSA-N -1 3 384.404 -0.787 20 0 GBADHM Cn1ncc(C(=O)NC[C@@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)c1N ZINC001571239828 953243150 /nfs/dbraw/zinc/24/31/50/953243150.db2.gz ZADLHLTZMBFWKE-LLVKDONJSA-N -1 3 384.404 -0.787 20 0 GBADHM Cn1ncc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nn[n-]n3)nc2)c1N ZINC001571239829 953243095 /nfs/dbraw/zinc/24/30/95/953243095.db2.gz ZADLHLTZMBFWKE-NSHDSACASA-N -1 3 384.404 -0.787 20 0 GBADHM Cn1ncc(C(=O)NC[C@H]2COCCN2c2ccc(-c3nnn[n-]3)nc2)c1N ZINC001571239829 953243093 /nfs/dbraw/zinc/24/30/93/953243093.db2.gz ZADLHLTZMBFWKE-NSHDSACASA-N -1 3 384.404 -0.787 20 0 GBADHM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571239831 953242591 /nfs/dbraw/zinc/24/25/91/953242591.db2.gz ZCPKPKRXXXTMJW-MWLCHTKSSA-N -1 3 384.404 -0.539 20 0 GBADHM C[C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571239831 953242590 /nfs/dbraw/zinc/24/25/90/953242590.db2.gz ZCPKPKRXXXTMJW-MWLCHTKSSA-N -1 3 384.404 -0.539 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@H](CNC(=O)c3cnnn3C)C2)n1 ZINC001571239834 953244094 /nfs/dbraw/zinc/24/40/94/953244094.db2.gz ZHIZSHIXPSRNFG-LLVKDONJSA-N -1 3 384.404 -0.666 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@H](CNC(=O)c3cnnn3C)C2)n1 ZINC001571239834 953244093 /nfs/dbraw/zinc/24/40/93/953244093.db2.gz ZHIZSHIXPSRNFG-LLVKDONJSA-N -1 3 384.404 -0.666 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](CNC(=O)c3cnnn3C)C2)n1 ZINC001571239835 953244028 /nfs/dbraw/zinc/24/40/28/953244028.db2.gz ZHIZSHIXPSRNFG-NSHDSACASA-N -1 3 384.404 -0.666 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](CNC(=O)c3cnnn3C)C2)n1 ZINC001571239835 953244026 /nfs/dbraw/zinc/24/40/26/953244026.db2.gz ZHIZSHIXPSRNFG-NSHDSACASA-N -1 3 384.404 -0.666 20 0 GBADHM Cn1nnc(C(=O)NC[C@@H]2COCCN2Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC001571239837 953243731 /nfs/dbraw/zinc/24/37/31/953243731.db2.gz ZJFQJMBXKMEYEL-CYBMUJFWSA-N -1 3 384.404 -0.979 20 0 GBADHM Cn1nnc(C(=O)NC[C@@H]2COCCN2Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC001571239837 953243728 /nfs/dbraw/zinc/24/37/28/953243728.db2.gz ZJFQJMBXKMEYEL-CYBMUJFWSA-N -1 3 384.404 -0.979 20 0 GBADHM Cn1nnc(C(=O)NC[C@H]2COCCN2Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC001571239838 953243833 /nfs/dbraw/zinc/24/38/33/953243833.db2.gz ZJFQJMBXKMEYEL-ZDUSSCGKSA-N -1 3 384.404 -0.979 20 0 GBADHM Cn1nnc(C(=O)NC[C@H]2COCCN2Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC001571239838 953243830 /nfs/dbraw/zinc/24/38/30/953243830.db2.gz ZJFQJMBXKMEYEL-ZDUSSCGKSA-N -1 3 384.404 -0.979 20 0 GBADHM CN(C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(=O)c1cn[nH]n1 ZINC001571239839 953243603 /nfs/dbraw/zinc/24/36/03/953243603.db2.gz ZJVQISVXAOWQKZ-JTQLQIEISA-N -1 3 384.404 -0.063 20 0 GBADHM CN(C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(=O)c1cn[nH]n1 ZINC001571239840 953244061 /nfs/dbraw/zinc/24/40/61/953244061.db2.gz ZJVQISVXAOWQKZ-SNVBAGLBSA-N -1 3 384.404 -0.063 20 0 GBADHM CCn1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2OC)n1 ZINC001571239850 953243954 /nfs/dbraw/zinc/24/39/54/953243954.db2.gz ZOBQTLWKTIMIGN-CHWSQXEVSA-N -1 3 384.404 -0.493 20 0 GBADHM CCn1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2OC)n1 ZINC001571239850 953243948 /nfs/dbraw/zinc/24/39/48/953243948.db2.gz ZOBQTLWKTIMIGN-CHWSQXEVSA-N -1 3 384.404 -0.493 20 0 GBADHM Cc1c(C(=O)N(C)C2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nnn1C ZINC001571239851 953243991 /nfs/dbraw/zinc/24/39/91/953243991.db2.gz ZOPGGUAELBIHCX-UHFFFAOYSA-N -1 3 384.404 -0.335 20 0 GBADHM Cc1c(C(=O)N(C)C2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nnn1C ZINC001571239851 953243989 /nfs/dbraw/zinc/24/39/89/953243989.db2.gz ZOPGGUAELBIHCX-UHFFFAOYSA-N -1 3 384.404 -0.335 20 0 GBADHM C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571239852 953243651 /nfs/dbraw/zinc/24/36/51/953243651.db2.gz ZOQJJHIPQZSQCY-ZWNOBZJWSA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H]1CN(C(=O)CCn2ccnn2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571239852 953243647 /nfs/dbraw/zinc/24/36/47/953243647.db2.gz ZOQJJHIPQZSQCY-ZWNOBZJWSA-N -1 3 384.404 -0.547 20 0 GBADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001571239857 953243822 /nfs/dbraw/zinc/24/38/22/953243822.db2.gz ZQINXBLIDRMJIY-GFCCVEGCSA-N -1 3 384.404 -0.451 20 0 GBADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001571239857 953243820 /nfs/dbraw/zinc/24/38/20/953243820.db2.gz ZQINXBLIDRMJIY-GFCCVEGCSA-N -1 3 384.404 -0.451 20 0 GBADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001571239858 953243805 /nfs/dbraw/zinc/24/38/05/953243805.db2.gz ZQINXBLIDRMJIY-LBPRGKRZSA-N -1 3 384.404 -0.451 20 0 GBADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001571239858 953243803 /nfs/dbraw/zinc/24/38/03/953243803.db2.gz ZQINXBLIDRMJIY-LBPRGKRZSA-N -1 3 384.404 -0.451 20 0 GBADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001571241633 953248417 /nfs/dbraw/zinc/24/84/17/953248417.db2.gz GXNFLTWKRNSDBP-CYBMUJFWSA-N -1 3 384.444 -0.009 20 0 GBADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001571241633 953248412 /nfs/dbraw/zinc/24/84/12/953248412.db2.gz GXNFLTWKRNSDBP-CYBMUJFWSA-N -1 3 384.444 -0.009 20 0 GBADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C2)C1 ZINC001571241634 953248368 /nfs/dbraw/zinc/24/83/68/953248368.db2.gz GXNFLTWKRNSDBP-ZDUSSCGKSA-N -1 3 384.444 -0.009 20 0 GBADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C2)C1 ZINC001571241634 953248365 /nfs/dbraw/zinc/24/83/65/953248365.db2.gz GXNFLTWKRNSDBP-ZDUSSCGKSA-N -1 3 384.444 -0.009 20 0 GBADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cn1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001571241961 953251149 /nfs/dbraw/zinc/25/11/49/953251149.db2.gz RARDWKUEMMKJSO-LLVKDONJSA-N -1 3 384.443 -0.398 20 0 GBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cn1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001571241961 953251147 /nfs/dbraw/zinc/25/11/47/953251147.db2.gz RARDWKUEMMKJSO-LLVKDONJSA-N -1 3 384.443 -0.398 20 0 GBADHM O=S(=O)(c1ccc(-c2nn[n-]n2)cn1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001571241962 953251465 /nfs/dbraw/zinc/25/14/65/953251465.db2.gz RARDWKUEMMKJSO-NSHDSACASA-N -1 3 384.443 -0.398 20 0 GBADHM O=S(=O)(c1ccc(-c2nnn[n-]2)cn1)N(C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001571241962 953251464 /nfs/dbraw/zinc/25/14/64/953251464.db2.gz RARDWKUEMMKJSO-NSHDSACASA-N -1 3 384.443 -0.398 20 0 GBADHM CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571241999 953252111 /nfs/dbraw/zinc/25/21/11/953252111.db2.gz SNBRNIXPSRZLKM-JTQLQIEISA-N -1 3 384.443 -0.069 20 0 GBADHM CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571241999 953252107 /nfs/dbraw/zinc/25/21/07/953252107.db2.gz SNBRNIXPSRZLKM-JTQLQIEISA-N -1 3 384.443 -0.069 20 0 GBADHM CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571242000 953252350 /nfs/dbraw/zinc/25/23/50/953252350.db2.gz SNBRNIXPSRZLKM-SNVBAGLBSA-N -1 3 384.443 -0.069 20 0 GBADHM CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571242000 953252345 /nfs/dbraw/zinc/25/23/45/953252345.db2.gz SNBRNIXPSRZLKM-SNVBAGLBSA-N -1 3 384.443 -0.069 20 0 GBADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001571242138 953253677 /nfs/dbraw/zinc/25/36/77/953253677.db2.gz VLADLFRVYMPQIR-CYBMUJFWSA-N -1 3 384.444 -0.009 20 0 GBADHM CC(=O)N1CC(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001571242138 953253672 /nfs/dbraw/zinc/25/36/72/953253672.db2.gz VLADLFRVYMPQIR-CYBMUJFWSA-N -1 3 384.444 -0.009 20 0 GBADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)c(C)n3)C2)C1 ZINC001571242140 953253965 /nfs/dbraw/zinc/25/39/65/953253965.db2.gz VLADLFRVYMPQIR-ZDUSSCGKSA-N -1 3 384.444 -0.009 20 0 GBADHM CC(=O)N1CC(C(=O)NC[C@@H]2CCN(c3ccc(-c4nnn[n-]4)c(C)n3)C2)C1 ZINC001571242140 953253962 /nfs/dbraw/zinc/25/39/62/953253962.db2.gz VLADLFRVYMPQIR-ZDUSSCGKSA-N -1 3 384.444 -0.009 20 0 GBADHM CCN1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nn[n-]n2)C1 ZINC001571242443 953256372 /nfs/dbraw/zinc/25/63/72/953256372.db2.gz GHXUBIZUDZVVKQ-KCQAQPDRSA-N -1 3 384.444 -0.228 20 0 GBADHM CCN1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nnn[n-]2)C1 ZINC001571242443 953256370 /nfs/dbraw/zinc/25/63/70/953256370.db2.gz GHXUBIZUDZVVKQ-KCQAQPDRSA-N -1 3 384.444 -0.228 20 0 GBADHM CCN1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nn[n-]n2)C1 ZINC001571242444 953256044 /nfs/dbraw/zinc/25/60/44/953256044.db2.gz GHXUBIZUDZVVKQ-YDHLFZDLSA-N -1 3 384.444 -0.228 20 0 GBADHM CCN1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2-c2nnn[n-]2)C1 ZINC001571242444 953256039 /nfs/dbraw/zinc/25/60/39/953256039.db2.gz GHXUBIZUDZVVKQ-YDHLFZDLSA-N -1 3 384.444 -0.228 20 0 GBADHM CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571242826 953260226 /nfs/dbraw/zinc/26/02/26/953260226.db2.gz OWAXAOZLKUAHNS-CTASWTNQSA-N -1 3 384.444 -0.467 20 0 GBADHM CCN1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571242826 953260225 /nfs/dbraw/zinc/26/02/25/953260225.db2.gz OWAXAOZLKUAHNS-CTASWTNQSA-N -1 3 384.444 -0.467 20 0 GBADHM CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571242827 953259990 /nfs/dbraw/zinc/25/99/90/953259990.db2.gz OWAXAOZLKUAHNS-KNCOVGOOSA-N -1 3 384.444 -0.467 20 0 GBADHM CCN1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001571242827 953259984 /nfs/dbraw/zinc/25/99/84/953259984.db2.gz OWAXAOZLKUAHNS-KNCOVGOOSA-N -1 3 384.444 -0.467 20 0 GBADHM CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571242835 953260197 /nfs/dbraw/zinc/26/01/97/953260197.db2.gz OZQOYDXIUCNLGN-APIJFGDWSA-N -1 3 384.444 -0.182 20 0 GBADHM CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571242835 953260196 /nfs/dbraw/zinc/26/01/96/953260196.db2.gz OZQOYDXIUCNLGN-APIJFGDWSA-N -1 3 384.444 -0.182 20 0 GBADHM CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571242836 953260457 /nfs/dbraw/zinc/26/04/57/953260457.db2.gz OZQOYDXIUCNLGN-KBXIAJHMSA-N -1 3 384.444 -0.182 20 0 GBADHM CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571242836 953260453 /nfs/dbraw/zinc/26/04/53/953260453.db2.gz OZQOYDXIUCNLGN-KBXIAJHMSA-N -1 3 384.444 -0.182 20 0 GBADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001571242945 953262128 /nfs/dbraw/zinc/26/21/28/953262128.db2.gz RRHBJLBJJCHTFA-MBNYWOFBSA-N -1 3 384.444 -0.024 20 0 GBADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1CNC(=O)[C@H]1CCNC(=O)C1 ZINC001571242945 953262125 /nfs/dbraw/zinc/26/21/25/953262125.db2.gz RRHBJLBJJCHTFA-MBNYWOFBSA-N -1 3 384.444 -0.024 20 0 GBADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001571242946 953262051 /nfs/dbraw/zinc/26/20/51/953262051.db2.gz RRHBJLBJJCHTFA-YRGRVCCFSA-N -1 3 384.444 -0.024 20 0 GBADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001571242946 953262049 /nfs/dbraw/zinc/26/20/49/953262049.db2.gz RRHBJLBJJCHTFA-YRGRVCCFSA-N -1 3 384.444 -0.024 20 0 GBADHM CN1CCO[C@@H](C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)C1 ZINC001571243219 953263946 /nfs/dbraw/zinc/26/39/46/953263946.db2.gz ZSASOHYCDCPAIZ-APHBMKBZSA-N -1 3 384.444 -0.371 20 0 GBADHM CN1CCO[C@@H](C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)C1 ZINC001571243219 953263945 /nfs/dbraw/zinc/26/39/45/953263945.db2.gz ZSASOHYCDCPAIZ-APHBMKBZSA-N -1 3 384.444 -0.371 20 0 GBADHM CN1CCO[C@H](C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)C1 ZINC001571243220 953264187 /nfs/dbraw/zinc/26/41/87/953264187.db2.gz ZSASOHYCDCPAIZ-MAZHCROVSA-N -1 3 384.444 -0.371 20 0 GBADHM CN1CCO[C@H](C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)C1 ZINC001571243220 953264183 /nfs/dbraw/zinc/26/41/83/953264183.db2.gz ZSASOHYCDCPAIZ-MAZHCROVSA-N -1 3 384.444 -0.371 20 0 GBADHM Cn1nnc(C(=O)NC[C@@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571253924 953335196 /nfs/dbraw/zinc/33/51/96/953335196.db2.gz BRJGFHJDTXFQQJ-JTQLQIEISA-N -1 3 385.392 -0.857 20 0 GBADHM Cn1nnc(C(=O)NC[C@@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571253924 953335193 /nfs/dbraw/zinc/33/51/93/953335193.db2.gz BRJGFHJDTXFQQJ-JTQLQIEISA-N -1 3 385.392 -0.857 20 0 GBADHM Cn1nnc(C(=O)NC[C@H]2CCCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001571253925 953335269 /nfs/dbraw/zinc/33/52/69/953335269.db2.gz BRJGFHJDTXFQQJ-SNVBAGLBSA-N -1 3 385.392 -0.857 20 0 GBADHM Cn1nnc(C(=O)NC[C@H]2CCCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001571253925 953335266 /nfs/dbraw/zinc/33/52/66/953335266.db2.gz BRJGFHJDTXFQQJ-SNVBAGLBSA-N -1 3 385.392 -0.857 20 0 GBADHM O=C(c1c[nH]c(=O)cn1)N1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571254151 953336281 /nfs/dbraw/zinc/33/62/81/953336281.db2.gz AFNJHRPYYSUALM-UHFFFAOYSA-N -1 3 385.363 -0.163 20 0 GBADHM O=C(c1c[nH]c(=O)cn1)N1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571254151 953336279 /nfs/dbraw/zinc/33/62/79/953336279.db2.gz AFNJHRPYYSUALM-UHFFFAOYSA-N -1 3 385.363 -0.163 20 0 GBADHM Cn1nnc(C(=O)N2CCCO[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571254192 953337050 /nfs/dbraw/zinc/33/70/50/953337050.db2.gz DOJDVAHNNFZNJO-LLVKDONJSA-N -1 3 385.392 -0.872 20 0 GBADHM Cn1nnc(C(=O)N2CCCO[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571254192 953337049 /nfs/dbraw/zinc/33/70/49/953337049.db2.gz DOJDVAHNNFZNJO-LLVKDONJSA-N -1 3 385.392 -0.872 20 0 GBADHM Cn1nnc(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)n1 ZINC001571254194 953337422 /nfs/dbraw/zinc/33/74/22/953337422.db2.gz DOJDVAHNNFZNJO-NSHDSACASA-N -1 3 385.392 -0.872 20 0 GBADHM Cn1nnc(C(=O)N2CCCO[C@@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)n1 ZINC001571254194 953337417 /nfs/dbraw/zinc/33/74/17/953337417.db2.gz DOJDVAHNNFZNJO-NSHDSACASA-N -1 3 385.392 -0.872 20 0 GBADHM O=C(Cc1nnc[nH]1)N1CCCO[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571254212 953337443 /nfs/dbraw/zinc/33/74/43/953337443.db2.gz DSHKERIVBBRLRR-JTQLQIEISA-N -1 3 385.392 -0.953 20 0 GBADHM O=C(Cc1nnc[nH]1)N1CCCO[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571254219 953337463 /nfs/dbraw/zinc/33/74/63/953337463.db2.gz DSHKERIVBBRLRR-SNVBAGLBSA-N -1 3 385.392 -0.953 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)c1ccccc1F ZINC001571254266 953337100 /nfs/dbraw/zinc/33/71/00/953337100.db2.gz BDTLVDHQFHRGLI-ZIAGYGMSSA-N -1 3 385.359 -0.051 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)c1ccccc1F ZINC001571254266 953337098 /nfs/dbraw/zinc/33/70/98/953337098.db2.gz BDTLVDHQFHRGLI-ZIAGYGMSSA-N -1 3 385.359 -0.051 20 0 GBADHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001571254282 953337453 /nfs/dbraw/zinc/33/74/53/953337453.db2.gz BETZYHIQFWZMGV-NWDGAFQWSA-N -1 3 385.377 -0.244 20 0 GBADHM COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001571254286 953337923 /nfs/dbraw/zinc/33/79/23/953337923.db2.gz BGNZZUYXJPKFNG-ZYHUDNBSSA-N -1 3 385.377 -0.556 20 0 GBADHM COC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001571254286 953337922 /nfs/dbraw/zinc/33/79/22/953337922.db2.gz BGNZZUYXJPKFNG-ZYHUDNBSSA-N -1 3 385.377 -0.556 20 0 GBADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)c1cncnc1 ZINC001571254343 953337917 /nfs/dbraw/zinc/33/79/17/953337917.db2.gz CDJBEKQAFQEKJQ-GFCCVEGCSA-N -1 3 385.363 -0.174 20 0 GBADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)c1cncnc1 ZINC001571254343 953337916 /nfs/dbraw/zinc/33/79/16/953337916.db2.gz CDJBEKQAFQEKJQ-GFCCVEGCSA-N -1 3 385.363 -0.174 20 0 GBADHM O=C(NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)c1cncnc1 ZINC001571254344 953338308 /nfs/dbraw/zinc/33/83/08/953338308.db2.gz CDJBEKQAFQEKJQ-LBPRGKRZSA-N -1 3 385.363 -0.174 20 0 GBADHM O=C(NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)c1cncnc1 ZINC001571254344 953338305 /nfs/dbraw/zinc/33/83/05/953338305.db2.gz CDJBEKQAFQEKJQ-LBPRGKRZSA-N -1 3 385.363 -0.174 20 0 GBADHM Cn1c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c[nH]c1=O ZINC001571254461 953338789 /nfs/dbraw/zinc/33/87/89/953338789.db2.gz ABVWOVZQTMMBPH-CMPLNLGQSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)c[nH]c1=O ZINC001571254461 953338786 /nfs/dbraw/zinc/33/87/86/953338786.db2.gz ABVWOVZQTMMBPH-CMPLNLGQSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1c(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)c[nH]c1=O ZINC001571254466 953338958 /nfs/dbraw/zinc/33/89/58/953338958.db2.gz ABVWOVZQTMMBPH-JQWIXIFHSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1c(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)c[nH]c1=O ZINC001571254466 953338954 /nfs/dbraw/zinc/33/89/54/953338954.db2.gz ABVWOVZQTMMBPH-JQWIXIFHSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)c[nH]c1=O ZINC001571254471 953338880 /nfs/dbraw/zinc/33/88/80/953338880.db2.gz ABVWOVZQTMMBPH-PWSUYJOCSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)c[nH]c1=O ZINC001571254471 953338878 /nfs/dbraw/zinc/33/88/78/953338878.db2.gz ABVWOVZQTMMBPH-PWSUYJOCSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1c(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c[nH]c1=O ZINC001571254474 953339449 /nfs/dbraw/zinc/33/94/49/953339449.db2.gz ABVWOVZQTMMBPH-ZYHUDNBSSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1c(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)c[nH]c1=O ZINC001571254474 953339444 /nfs/dbraw/zinc/33/94/44/953339444.db2.gz ABVWOVZQTMMBPH-ZYHUDNBSSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1cnc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)cc1=O ZINC001571254492 953338910 /nfs/dbraw/zinc/33/89/10/953338910.db2.gz DKYHHPYTUZZIQW-JTQLQIEISA-N -1 3 385.363 -0.497 20 0 GBADHM Cn1cnc(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)cc1=O ZINC001571254492 953338908 /nfs/dbraw/zinc/33/89/08/953338908.db2.gz DKYHHPYTUZZIQW-JTQLQIEISA-N -1 3 385.363 -0.497 20 0 GBADHM Cc1nnc(CN2CC3(C2)C[C@@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)CO3)o1 ZINC001571254518 953339688 /nfs/dbraw/zinc/33/96/88/953339688.db2.gz AFDGNKSRFCHTRO-LLVKDONJSA-N -1 3 385.388 -0.340 20 0 GBADHM Cc1nnc(CN2CC3(C2)C[C@@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)CO3)o1 ZINC001571254518 953339686 /nfs/dbraw/zinc/33/96/86/953339686.db2.gz AFDGNKSRFCHTRO-LLVKDONJSA-N -1 3 385.388 -0.340 20 0 GBADHM Cc1nnc(CN2CC3(C2)C[C@H](NC(=O)c2cc(-c4nn[n-]n4)c[nH]2)CO3)o1 ZINC001571254523 953340003 /nfs/dbraw/zinc/34/00/03/953340003.db2.gz AFDGNKSRFCHTRO-NSHDSACASA-N -1 3 385.388 -0.340 20 0 GBADHM Cc1nnc(CN2CC3(C2)C[C@H](NC(=O)c2cc(-c4nnn[n-]4)c[nH]2)CO3)o1 ZINC001571254523 953339999 /nfs/dbraw/zinc/33/99/99/953339999.db2.gz AFDGNKSRFCHTRO-NSHDSACASA-N -1 3 385.388 -0.340 20 0 GBADHM Cc1nonc1CC(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001571254530 953340066 /nfs/dbraw/zinc/34/00/66/953340066.db2.gz DTADCLWDVGQDAU-MSRIBSCDSA-N -1 3 385.363 -0.114 20 0 GBADHM Cc1nonc1CC(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001571254530 953340063 /nfs/dbraw/zinc/34/00/63/953340063.db2.gz DTADCLWDVGQDAU-MSRIBSCDSA-N -1 3 385.363 -0.114 20 0 GBADHM COc1nc(C)cc(N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)n1 ZINC001571254603 953339724 /nfs/dbraw/zinc/33/97/24/953339724.db2.gz BCNUATKKCRUSON-NEPJUHHUSA-N -1 3 385.388 -0.719 20 0 GBADHM COc1nc(C)cc(N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)n1 ZINC001571254603 953339721 /nfs/dbraw/zinc/33/97/21/953339721.db2.gz BCNUATKKCRUSON-NEPJUHHUSA-N -1 3 385.388 -0.719 20 0 GBADHM O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571254609 953339748 /nfs/dbraw/zinc/33/97/48/953339748.db2.gz BCRRSSWYPINNKU-NSHDSACASA-N -1 3 385.388 -0.737 20 0 GBADHM O=C([C@@H]1CC(=O)NC(=O)N1)N1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571254609 953339746 /nfs/dbraw/zinc/33/97/46/953339746.db2.gz BCRRSSWYPINNKU-NSHDSACASA-N -1 3 385.388 -0.737 20 0 GBADHM CCOC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)n1C)[C@@H](O)c1cccnc1 ZINC001571254624 953340717 /nfs/dbraw/zinc/34/07/17/953340717.db2.gz BEHXLWDPHAJCIZ-KBPBESRZSA-N -1 3 385.384 -0.005 20 0 GBADHM CCOC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)n1C)[C@@H](O)c1cccnc1 ZINC001571254624 953340712 /nfs/dbraw/zinc/34/07/12/953340712.db2.gz BEHXLWDPHAJCIZ-KBPBESRZSA-N -1 3 385.384 -0.005 20 0 GBADHM CCOC(=O)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)n1C)[C@@H](O)c1cccnc1 ZINC001571254628 953340676 /nfs/dbraw/zinc/34/06/76/953340676.db2.gz BEHXLWDPHAJCIZ-KGLIPLIRSA-N -1 3 385.384 -0.005 20 0 GBADHM CCOC(=O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)n1C)[C@@H](O)c1cccnc1 ZINC001571254628 953340673 /nfs/dbraw/zinc/34/06/73/953340673.db2.gz BEHXLWDPHAJCIZ-KGLIPLIRSA-N -1 3 385.384 -0.005 20 0 GBADHM Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ncc(-c3nn[n-]n3)cc2F)n1 ZINC001571254629 953341088 /nfs/dbraw/zinc/34/10/88/953341088.db2.gz FIWIBLRZHQZQAA-AOOOYVTPSA-N -1 3 385.367 -0.582 20 0 GBADHM Cn1nnc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ncc(-c3nnn[n-]3)cc2F)n1 ZINC001571254629 953341084 /nfs/dbraw/zinc/34/10/84/953341084.db2.gz FIWIBLRZHQZQAA-AOOOYVTPSA-N -1 3 385.367 -0.582 20 0 GBADHM CCOC(=O)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)n1C)[C@H](O)c1cccnc1 ZINC001571254631 953340586 /nfs/dbraw/zinc/34/05/86/953340586.db2.gz BEHXLWDPHAJCIZ-UONOGXRCSA-N -1 3 385.384 -0.005 20 0 GBADHM CCOC(=O)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)n1C)[C@H](O)c1cccnc1 ZINC001571254631 953340582 /nfs/dbraw/zinc/34/05/82/953340582.db2.gz BEHXLWDPHAJCIZ-UONOGXRCSA-N -1 3 385.384 -0.005 20 0 GBADHM CCOC(=O)[C@H](NC(=O)c1ccc(-c2nn[n-]n2)n1C)[C@H](O)c1cccnc1 ZINC001571254634 953341029 /nfs/dbraw/zinc/34/10/29/953341029.db2.gz BEHXLWDPHAJCIZ-ZIAGYGMSSA-N -1 3 385.384 -0.005 20 0 GBADHM CCOC(=O)[C@H](NC(=O)c1ccc(-c2nnn[n-]2)n1C)[C@H](O)c1cccnc1 ZINC001571254634 953341026 /nfs/dbraw/zinc/34/10/26/953341026.db2.gz BEHXLWDPHAJCIZ-ZIAGYGMSSA-N -1 3 385.384 -0.005 20 0 GBADHM Cn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)[nH]c1=O ZINC001571254638 953340570 /nfs/dbraw/zinc/34/05/70/953340570.db2.gz BFBJQSUXKHYDHG-WAAGHKOSSA-N -1 3 385.388 -0.428 20 0 GBADHM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)c1C ZINC001571254661 953341237 /nfs/dbraw/zinc/34/12/37/953341237.db2.gz BMEZKDYUEQPIPH-VXGBXAGGSA-N -1 3 385.388 -0.850 20 0 GBADHM Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)c1C ZINC001571254661 953341234 /nfs/dbraw/zinc/34/12/34/953341234.db2.gz BMEZKDYUEQPIPH-VXGBXAGGSA-N -1 3 385.388 -0.850 20 0 GBADHM CN(C[C@@H]1CCN1C(=O)c1c[nH]c(=O)n1C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571254685 953340809 /nfs/dbraw/zinc/34/08/09/953340809.db2.gz BRLJEHDBONJMRV-JTQLQIEISA-N -1 3 385.388 -0.379 20 0 GBADHM CN(C[C@@H]1CCN1C(=O)c1c[nH]c(=O)n1C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571254685 953340806 /nfs/dbraw/zinc/34/08/06/953340806.db2.gz BRLJEHDBONJMRV-JTQLQIEISA-N -1 3 385.388 -0.379 20 0 GBADHM CN(C[C@H]1CCN1C(=O)c1c[nH]c(=O)n1C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571254688 953340751 /nfs/dbraw/zinc/34/07/51/953340751.db2.gz BRLJEHDBONJMRV-SNVBAGLBSA-N -1 3 385.388 -0.379 20 0 GBADHM CN(C[C@H]1CCN1C(=O)c1c[nH]c(=O)n1C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571254688 953340748 /nfs/dbraw/zinc/34/07/48/953340748.db2.gz BRLJEHDBONJMRV-SNVBAGLBSA-N -1 3 385.388 -0.379 20 0 GBADHM Cn1c(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c[nH]c1=O ZINC001571254703 953341293 /nfs/dbraw/zinc/34/12/93/953341293.db2.gz BUDFDXQRIUTPKZ-SECBINFHSA-N -1 3 385.388 -0.332 20 0 GBADHM Cn1c(C(=O)N2CCC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c[nH]c1=O ZINC001571254703 953341290 /nfs/dbraw/zinc/34/12/90/953341290.db2.gz BUDFDXQRIUTPKZ-SECBINFHSA-N -1 3 385.388 -0.332 20 0 GBADHM Cn1c(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c[nH]c1=O ZINC001571254706 953342285 /nfs/dbraw/zinc/34/22/85/953342285.db2.gz BUDFDXQRIUTPKZ-VIFPVBQESA-N -1 3 385.388 -0.332 20 0 GBADHM Cn1c(C(=O)N2CCC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c[nH]c1=O ZINC001571254706 953342282 /nfs/dbraw/zinc/34/22/82/953342282.db2.gz BUDFDXQRIUTPKZ-VIFPVBQESA-N -1 3 385.388 -0.332 20 0 GBADHM CCn1cnc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)c1 ZINC001571254735 953341615 /nfs/dbraw/zinc/34/16/15/953341615.db2.gz CGLTUMNYGKBSMD-YPMHNXCESA-N -1 3 385.388 -0.974 20 0 GBADHM CCn1cnc(C(=O)N[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)c1 ZINC001571254735 953341613 /nfs/dbraw/zinc/34/16/13/953341613.db2.gz CGLTUMNYGKBSMD-YPMHNXCESA-N -1 3 385.388 -0.974 20 0 GBADHM Cn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)[nH]c1=O ZINC001571254754 953341928 /nfs/dbraw/zinc/34/19/28/953341928.db2.gz CPDBHSJAHNGLLI-GWCFXTLKSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)[nH]c1=O ZINC001571254754 953341923 /nfs/dbraw/zinc/34/19/23/953341923.db2.gz CPDBHSJAHNGLLI-GWCFXTLKSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)[nH]c1=O ZINC001571254755 953342169 /nfs/dbraw/zinc/34/21/69/953342169.db2.gz CPDBHSJAHNGLLI-GXFFZTMASA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1cc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)[nH]c1=O ZINC001571254755 953342161 /nfs/dbraw/zinc/34/21/61/953342161.db2.gz CPDBHSJAHNGLLI-GXFFZTMASA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)[nH]c1=O ZINC001571254756 953341754 /nfs/dbraw/zinc/34/17/54/953341754.db2.gz CPDBHSJAHNGLLI-MFKMUULPSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)[nH]c1=O ZINC001571254756 953341750 /nfs/dbraw/zinc/34/17/50/953341750.db2.gz CPDBHSJAHNGLLI-MFKMUULPSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)[nH]c1=O ZINC001571254757 953342346 /nfs/dbraw/zinc/34/23/46/953342346.db2.gz CPDBHSJAHNGLLI-ZWNOBZJWSA-N -1 3 385.388 -0.930 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)[nH]c1=O ZINC001571254757 953342343 /nfs/dbraw/zinc/34/23/43/953342343.db2.gz CPDBHSJAHNGLLI-ZWNOBZJWSA-N -1 3 385.388 -0.930 20 0 GBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CC[C@H]2CN(C(=O)C3=COCCO3)C[C@H]21 ZINC001571254758 953342369 /nfs/dbraw/zinc/34/23/69/953342369.db2.gz CQSLSHCUXIKRHF-GXFFZTMASA-N -1 3 385.384 -0.244 20 0 GBADHM O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CC[C@H]2CN(C(=O)C3=COCCO3)C[C@H]21 ZINC001571254758 953342365 /nfs/dbraw/zinc/34/23/65/953342365.db2.gz CQSLSHCUXIKRHF-GXFFZTMASA-N -1 3 385.384 -0.244 20 0 GBADHM Cc1nonc1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001571254759 953341566 /nfs/dbraw/zinc/34/15/66/953341566.db2.gz CRKMOHVUVUCUSO-BXUZGUMPSA-N -1 3 385.388 -0.748 20 0 GBADHM Cc1nonc1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001571254759 953341564 /nfs/dbraw/zinc/34/15/64/953341564.db2.gz CRKMOHVUVUCUSO-BXUZGUMPSA-N -1 3 385.388 -0.748 20 0 GBADHM Cc1nonc1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001571254760 953342358 /nfs/dbraw/zinc/34/23/58/953342358.db2.gz CRKMOHVUVUCUSO-FZMZJTMJSA-N -1 3 385.388 -0.748 20 0 GBADHM Cc1nonc1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001571254760 953342355 /nfs/dbraw/zinc/34/23/55/953342355.db2.gz CRKMOHVUVUCUSO-FZMZJTMJSA-N -1 3 385.388 -0.748 20 0 GBADHM Cc1nonc1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001571254761 953341998 /nfs/dbraw/zinc/34/19/98/953341998.db2.gz CRKMOHVUVUCUSO-RISCZKNCSA-N -1 3 385.388 -0.748 20 0 GBADHM Cc1nonc1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001571254761 953341996 /nfs/dbraw/zinc/34/19/96/953341996.db2.gz CRKMOHVUVUCUSO-RISCZKNCSA-N -1 3 385.388 -0.748 20 0 GBADHM Cc1nonc1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001571254762 953342238 /nfs/dbraw/zinc/34/22/38/953342238.db2.gz CRKMOHVUVUCUSO-SMDDNHRTSA-N -1 3 385.388 -0.748 20 0 GBADHM Cc1nonc1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001571254762 953342234 /nfs/dbraw/zinc/34/22/34/953342234.db2.gz CRKMOHVUVUCUSO-SMDDNHRTSA-N -1 3 385.388 -0.748 20 0 GBADHM COc1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1C ZINC001571254763 953342425 /nfs/dbraw/zinc/34/24/25/953342425.db2.gz CRZLQHBOZGYDAB-JTQLQIEISA-N -1 3 385.388 -0.419 20 0 GBADHM COc1cc(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1C ZINC001571254763 953342421 /nfs/dbraw/zinc/34/24/21/953342421.db2.gz CRZLQHBOZGYDAB-JTQLQIEISA-N -1 3 385.388 -0.419 20 0 GBADHM Cc1nonc1CC(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571254764 953341812 /nfs/dbraw/zinc/34/18/12/953341812.db2.gz CTACNRTYVHDFKP-LLVKDONJSA-N -1 3 385.388 -0.198 20 0 GBADHM Cc1nonc1CC(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571254764 953341807 /nfs/dbraw/zinc/34/18/07/953341807.db2.gz CTACNRTYVHDFKP-LLVKDONJSA-N -1 3 385.388 -0.198 20 0 GBADHM Cc1nonc1CC(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571254910 953344558 /nfs/dbraw/zinc/34/45/58/953344558.db2.gz CTACNRTYVHDFKP-NSHDSACASA-N -1 3 385.388 -0.198 20 0 GBADHM Cc1nonc1CC(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571254910 953344554 /nfs/dbraw/zinc/34/45/54/953344554.db2.gz CTACNRTYVHDFKP-NSHDSACASA-N -1 3 385.388 -0.198 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001571254911 953344443 /nfs/dbraw/zinc/34/44/43/953344443.db2.gz CUICVYHOUMLSCJ-KOLCDFICSA-N -1 3 385.388 -0.819 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001571254911 953344440 /nfs/dbraw/zinc/34/44/40/953344440.db2.gz CUICVYHOUMLSCJ-KOLCDFICSA-N -1 3 385.388 -0.819 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001571254915 953344055 /nfs/dbraw/zinc/34/40/55/953344055.db2.gz CUICVYHOUMLSCJ-ONGXEEELSA-N -1 3 385.388 -0.819 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2CCN(C(=O)[C@@H]3CC(=O)NC(=O)N3)C2)n1 ZINC001571254915 953344052 /nfs/dbraw/zinc/34/40/52/953344052.db2.gz CUICVYHOUMLSCJ-ONGXEEELSA-N -1 3 385.388 -0.819 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571254918 953343714 /nfs/dbraw/zinc/34/37/14/953343714.db2.gz CURKJUFHCMSKLD-BDAKNGLRSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571254918 953343711 /nfs/dbraw/zinc/34/37/11/953343711.db2.gz CURKJUFHCMSKLD-BDAKNGLRSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571254920 953344201 /nfs/dbraw/zinc/34/42/01/953344201.db2.gz CURKJUFHCMSKLD-DTWKUNHWSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571254920 953344197 /nfs/dbraw/zinc/34/41/97/953344197.db2.gz CURKJUFHCMSKLD-DTWKUNHWSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001571254922 953344544 /nfs/dbraw/zinc/34/45/44/953344544.db2.gz CURKJUFHCMSKLD-IUCAKERBSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001571254922 953344539 /nfs/dbraw/zinc/34/45/39/953344539.db2.gz CURKJUFHCMSKLD-IUCAKERBSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001571254924 953343796 /nfs/dbraw/zinc/34/37/96/953343796.db2.gz CURKJUFHCMSKLD-RKDXNWHRSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001571254924 953343792 /nfs/dbraw/zinc/34/37/92/953343792.db2.gz CURKJUFHCMSKLD-RKDXNWHRSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1nonc1CC(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571254980 953343783 /nfs/dbraw/zinc/34/37/83/953343783.db2.gz DJTJUOLOFYWMGJ-UHFFFAOYSA-N -1 3 385.388 -0.150 20 0 GBADHM Cc1nonc1CC(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571254980 953343778 /nfs/dbraw/zinc/34/37/78/953343778.db2.gz DJTJUOLOFYWMGJ-UHFFFAOYSA-N -1 3 385.388 -0.150 20 0 GBADHM Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)c1C ZINC001571255002 953344410 /nfs/dbraw/zinc/34/44/10/953344410.db2.gz DOUZUAWPVALZJG-VXGBXAGGSA-N -1 3 385.388 -0.850 20 0 GBADHM Cc1[nH]nc(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)c1C ZINC001571255002 953344407 /nfs/dbraw/zinc/34/44/07/953344407.db2.gz DOUZUAWPVALZJG-VXGBXAGGSA-N -1 3 385.388 -0.850 20 0 GBADHM COC(=O)[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571255008 953344345 /nfs/dbraw/zinc/34/43/45/953344345.db2.gz DVKLRXXNUNFSBS-HKLXJQGRSA-N -1 3 385.384 -0.810 20 0 GBADHM COC(=O)[C@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571255008 953344341 /nfs/dbraw/zinc/34/43/41/953344341.db2.gz DVKLRXXNUNFSBS-HKLXJQGRSA-N -1 3 385.384 -0.810 20 0 GBADHM COC(=O)[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571255009 953344609 /nfs/dbraw/zinc/34/46/09/953344609.db2.gz DVKLRXXNUNFSBS-OQEOFVATSA-N -1 3 385.384 -0.810 20 0 GBADHM COC(=O)[C@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571255009 953344606 /nfs/dbraw/zinc/34/46/06/953344606.db2.gz DVKLRXXNUNFSBS-OQEOFVATSA-N -1 3 385.384 -0.810 20 0 GBADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571255010 953344425 /nfs/dbraw/zinc/34/44/25/953344425.db2.gz DVKLRXXNUNFSBS-VLLVSFFDSA-N -1 3 385.384 -0.810 20 0 GBADHM COC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571255010 953344422 /nfs/dbraw/zinc/34/44/22/953344422.db2.gz DVKLRXXNUNFSBS-VLLVSFFDSA-N -1 3 385.384 -0.810 20 0 GBADHM COC(=O)[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571255011 953344512 /nfs/dbraw/zinc/34/45/12/953344512.db2.gz DVKLRXXNUNFSBS-YFVNTRNASA-N -1 3 385.384 -0.810 20 0 GBADHM COC(=O)[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571255011 953344507 /nfs/dbraw/zinc/34/45/07/953344507.db2.gz DVKLRXXNUNFSBS-YFVNTRNASA-N -1 3 385.384 -0.810 20 0 GBADHM Cc1nonc1CN1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2 ZINC001571255012 953344043 /nfs/dbraw/zinc/34/40/43/953344043.db2.gz DVVIPWDKYOPAOF-JTQLQIEISA-N -1 3 385.388 -0.340 20 0 GBADHM Cc1nonc1CN1CC2(C1)C[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2 ZINC001571255012 953344039 /nfs/dbraw/zinc/34/40/39/953344039.db2.gz DVVIPWDKYOPAOF-JTQLQIEISA-N -1 3 385.388 -0.340 20 0 GBADHM Cc1nonc1CN1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)CO2 ZINC001571255013 953344499 /nfs/dbraw/zinc/34/44/99/953344499.db2.gz DVVIPWDKYOPAOF-SNVBAGLBSA-N -1 3 385.388 -0.340 20 0 GBADHM Cc1nonc1CN1CC2(C1)C[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)CO2 ZINC001571255013 953344495 /nfs/dbraw/zinc/34/44/95/953344495.db2.gz DVVIPWDKYOPAOF-SNVBAGLBSA-N -1 3 385.388 -0.340 20 0 GBADHM COc1nn(C)cc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571255016 953344382 /nfs/dbraw/zinc/34/43/82/953344382.db2.gz FAJHLWOQKJQJDF-SECBINFHSA-N -1 3 385.388 -0.419 20 0 GBADHM COc1nn(C)cc1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571255016 953344379 /nfs/dbraw/zinc/34/43/79/953344379.db2.gz FAJHLWOQKJQJDF-SECBINFHSA-N -1 3 385.388 -0.419 20 0 GBADHM COc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1C ZINC001571255022 953344006 /nfs/dbraw/zinc/34/40/06/953344006.db2.gz FHGAYQWWGSNTAU-JTQLQIEISA-N -1 3 385.388 -0.419 20 0 GBADHM COc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1C ZINC001571255022 953344000 /nfs/dbraw/zinc/34/40/00/953344000.db2.gz FHGAYQWWGSNTAU-JTQLQIEISA-N -1 3 385.388 -0.419 20 0 GBADHM COc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1C ZINC001571255023 953343767 /nfs/dbraw/zinc/34/37/67/953343767.db2.gz FHGAYQWWGSNTAU-SNVBAGLBSA-N -1 3 385.388 -0.419 20 0 GBADHM COc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1C ZINC001571255023 953343761 /nfs/dbraw/zinc/34/37/61/953343761.db2.gz FHGAYQWWGSNTAU-SNVBAGLBSA-N -1 3 385.388 -0.419 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)Cn1cccn1 ZINC001571255028 953343740 /nfs/dbraw/zinc/34/37/40/953343740.db2.gz FRNBUGRAPVAWOS-CHWSQXEVSA-N -1 3 385.388 -0.953 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)Cn1cccn1 ZINC001571255028 953343735 /nfs/dbraw/zinc/34/37/35/953343735.db2.gz FRNBUGRAPVAWOS-CHWSQXEVSA-N -1 3 385.388 -0.953 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@@H]2CCN(C(=O)C3=COCCO3)[C@@H]2C1 ZINC001571255030 953344332 /nfs/dbraw/zinc/34/43/32/953344332.db2.gz FTDDBCSOYYPOEY-GXFFZTMASA-N -1 3 385.384 -0.244 20 0 GBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@@H]2CCN(C(=O)C3=COCCO3)[C@@H]2C1 ZINC001571255030 953344329 /nfs/dbraw/zinc/34/43/29/953344329.db2.gz FTDDBCSOYYPOEY-GXFFZTMASA-N -1 3 385.384 -0.244 20 0 GBADHM CCc1n[nH]cc1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001571255031 953343907 /nfs/dbraw/zinc/34/39/07/953343907.db2.gz FVNHHERVQNSHAL-OLZOCXBDSA-N -1 3 385.388 -0.904 20 0 GBADHM CCc1n[nH]cc1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001571255031 953343901 /nfs/dbraw/zinc/34/39/01/953343901.db2.gz FVNHHERVQNSHAL-OLZOCXBDSA-N -1 3 385.388 -0.904 20 0 GBADHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NC(=O)c1c[nH]c(=O)n1C ZINC001571255042 953345207 /nfs/dbraw/zinc/34/52/07/953345207.db2.gz GCPBPHDIRFUYFP-LDYMZIIASA-N -1 3 385.388 -0.476 20 0 GBADHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NC(=O)c1c[nH]c(=O)n1C ZINC001571255042 953345204 /nfs/dbraw/zinc/34/52/04/953345204.db2.gz GCPBPHDIRFUYFP-LDYMZIIASA-N -1 3 385.388 -0.476 20 0 GBADHM Cc1cc(NC(=O)CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)on1 ZINC001571255050 953345528 /nfs/dbraw/zinc/34/55/28/953345528.db2.gz GKVKIUFCDRMHMQ-JTQLQIEISA-N -1 3 385.388 -0.066 20 0 GBADHM Cc1cc(NC(=O)CN2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)on1 ZINC001571255050 953345524 /nfs/dbraw/zinc/34/55/24/953345524.db2.gz GKVKIUFCDRMHMQ-JTQLQIEISA-N -1 3 385.388 -0.066 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)c1cccc(F)c1 ZINC001571255051 953345161 /nfs/dbraw/zinc/34/51/61/953345161.db2.gz GXDBRZYFNQKDLD-KGLIPLIRSA-N -1 3 385.359 -0.051 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)c1cccc(F)c1 ZINC001571255051 953345157 /nfs/dbraw/zinc/34/51/57/953345157.db2.gz GXDBRZYFNQKDLD-KGLIPLIRSA-N -1 3 385.359 -0.051 20 0 GBADHM Cc1cc(NC(=O)CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)on1 ZINC001571255054 953344999 /nfs/dbraw/zinc/34/49/99/953344999.db2.gz GKVKIUFCDRMHMQ-SNVBAGLBSA-N -1 3 385.388 -0.066 20 0 GBADHM Cc1cc(NC(=O)CN2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)on1 ZINC001571255054 953344995 /nfs/dbraw/zinc/34/49/95/953344995.db2.gz GKVKIUFCDRMHMQ-SNVBAGLBSA-N -1 3 385.388 -0.066 20 0 GBADHM O=C(CCc1ccoc1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571255058 953345517 /nfs/dbraw/zinc/34/55/17/953345517.db2.gz GNHUJMURCKSZRP-ZIAGYGMSSA-N -1 3 385.384 -0.278 20 0 GBADHM O=C(CCc1ccoc1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571255058 953345511 /nfs/dbraw/zinc/34/55/11/953345511.db2.gz GNHUJMURCKSZRP-ZIAGYGMSSA-N -1 3 385.384 -0.278 20 0 GBADHM Cc1nonc1CC(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571255062 953345308 /nfs/dbraw/zinc/34/53/08/953345308.db2.gz GOVXXXYAHVGJBN-JTQLQIEISA-N -1 3 385.388 -0.198 20 0 GBADHM Cc1nonc1CC(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571255062 953345303 /nfs/dbraw/zinc/34/53/03/953345303.db2.gz GOVXXXYAHVGJBN-JTQLQIEISA-N -1 3 385.388 -0.198 20 0 GBADHM Cc1nonc1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571255064 953344779 /nfs/dbraw/zinc/34/47/79/953344779.db2.gz GOVXXXYAHVGJBN-SNVBAGLBSA-N -1 3 385.388 -0.198 20 0 GBADHM Cc1nonc1CC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571255064 953344775 /nfs/dbraw/zinc/34/47/75/953344775.db2.gz GOVXXXYAHVGJBN-SNVBAGLBSA-N -1 3 385.388 -0.198 20 0 GBADHM CN1CCn2c(CCNC(=O)c3ccc(-c4nn[n-]n4)cc3F)nnc2C1=O ZINC001571255065 953345339 /nfs/dbraw/zinc/34/53/39/953345339.db2.gz HDXANPHYLXUZKG-UHFFFAOYSA-N -1 3 385.363 -0.345 20 0 GBADHM CN1CCn2c(CCNC(=O)c3ccc(-c4nnn[n-]4)cc3F)nnc2C1=O ZINC001571255065 953345337 /nfs/dbraw/zinc/34/53/37/953345337.db2.gz HDXANPHYLXUZKG-UHFFFAOYSA-N -1 3 385.363 -0.345 20 0 GBADHM Cn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)[nH]c1=O ZINC001571255066 953345029 /nfs/dbraw/zinc/34/50/29/953345029.db2.gz GOZLMSFCPJQXTO-DTORHVGOSA-N -1 3 385.388 -0.428 20 0 GBADHM Cn1cc(C(=O)N[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)[nH]c1=O ZINC001571255068 953345233 /nfs/dbraw/zinc/34/52/33/953345233.db2.gz GOZLMSFCPJQXTO-KYZUINATSA-N -1 3 385.388 -0.428 20 0 GBADHM O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)c1ccncn1 ZINC001571255116 953344922 /nfs/dbraw/zinc/34/49/22/953344922.db2.gz ISJFPGRJUVIZOM-AAEUAGOBSA-N -1 3 385.363 -0.440 20 0 GBADHM O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)c1ccncn1 ZINC001571255116 953344916 /nfs/dbraw/zinc/34/49/16/953344916.db2.gz ISJFPGRJUVIZOM-AAEUAGOBSA-N -1 3 385.363 -0.440 20 0 GBADHM O=C(N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)c1ccncn1 ZINC001571255117 953345472 /nfs/dbraw/zinc/34/54/72/953345472.db2.gz ISJFPGRJUVIZOM-DGCLKSJQSA-N -1 3 385.363 -0.440 20 0 GBADHM O=C(N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)c1ccncn1 ZINC001571255117 953345470 /nfs/dbraw/zinc/34/54/70/953345470.db2.gz ISJFPGRJUVIZOM-DGCLKSJQSA-N -1 3 385.363 -0.440 20 0 GBADHM O=C(N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)c1ccncn1 ZINC001571255118 953345254 /nfs/dbraw/zinc/34/52/54/953345254.db2.gz ISJFPGRJUVIZOM-WCQYABFASA-N -1 3 385.363 -0.440 20 0 GBADHM O=C(N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)c1ccncn1 ZINC001571255118 953345252 /nfs/dbraw/zinc/34/52/52/953345252.db2.gz ISJFPGRJUVIZOM-WCQYABFASA-N -1 3 385.363 -0.440 20 0 GBADHM O=C(N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)c1ccncn1 ZINC001571255119 953345137 /nfs/dbraw/zinc/34/51/37/953345137.db2.gz ISJFPGRJUVIZOM-YPMHNXCESA-N -1 3 385.363 -0.440 20 0 GBADHM O=C(N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)c1ccncn1 ZINC001571255119 953345133 /nfs/dbraw/zinc/34/51/33/953345133.db2.gz ISJFPGRJUVIZOM-YPMHNXCESA-N -1 3 385.363 -0.440 20 0 GBADHM O=C(NC1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)c1c[nH]c(=O)cn1 ZINC001571255137 953345845 /nfs/dbraw/zinc/34/58/45/953345845.db2.gz IYLWTIHKRAUHEX-UHFFFAOYSA-N -1 3 385.363 -0.117 20 0 GBADHM O=C(NC1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)c1c[nH]c(=O)cn1 ZINC001571255137 953345843 /nfs/dbraw/zinc/34/58/43/953345843.db2.gz IYLWTIHKRAUHEX-UHFFFAOYSA-N -1 3 385.363 -0.117 20 0 GBADHM Cc1nonc1CC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571255271 953347224 /nfs/dbraw/zinc/34/72/24/953347224.db2.gz GXXUCZNTCLWWNY-LLVKDONJSA-N -1 3 385.388 -0.150 20 0 GBADHM Cc1nonc1CC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571255271 953347221 /nfs/dbraw/zinc/34/72/21/953347221.db2.gz GXXUCZNTCLWWNY-LLVKDONJSA-N -1 3 385.388 -0.150 20 0 GBADHM Cc1nonc1CC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571255272 953347316 /nfs/dbraw/zinc/34/73/16/953347316.db2.gz GXXUCZNTCLWWNY-NSHDSACASA-N -1 3 385.388 -0.150 20 0 GBADHM Cc1nonc1CC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571255272 953347314 /nfs/dbraw/zinc/34/73/14/953347314.db2.gz GXXUCZNTCLWWNY-NSHDSACASA-N -1 3 385.388 -0.150 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC2(C1)CCN(C(=O)C1=COCCO1)C2 ZINC001571255273 953346622 /nfs/dbraw/zinc/34/66/22/953346622.db2.gz GZWSAEDGKZRADO-UHFFFAOYSA-N -1 3 385.384 -0.243 20 0 GBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC2(C1)CCN(C(=O)C1=COCCO1)C2 ZINC001571255273 953346617 /nfs/dbraw/zinc/34/66/17/953346617.db2.gz GZWSAEDGKZRADO-UHFFFAOYSA-N -1 3 385.384 -0.243 20 0 GBADHM COc1nc(C)cc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571255276 953347344 /nfs/dbraw/zinc/34/73/44/953347344.db2.gz HBICZMYSVLVAQN-VXGBXAGGSA-N -1 3 385.388 -0.719 20 0 GBADHM COc1nc(C)cc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571255276 953347341 /nfs/dbraw/zinc/34/73/41/953347341.db2.gz HBICZMYSVLVAQN-VXGBXAGGSA-N -1 3 385.388 -0.719 20 0 GBADHM O=C(NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCCO1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571255288 953348127 /nfs/dbraw/zinc/34/81/27/953348127.db2.gz HKFRWSANYGGEKZ-LLVKDONJSA-N -1 3 385.388 -0.421 20 0 GBADHM O=C(NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCCO1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571255288 953348122 /nfs/dbraw/zinc/34/81/22/953348122.db2.gz HKFRWSANYGGEKZ-LLVKDONJSA-N -1 3 385.388 -0.421 20 0 GBADHM O=C(NC[C@H]1CN(C(=O)c2ncc[nH]2)CCCO1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571255289 953347789 /nfs/dbraw/zinc/34/77/89/953347789.db2.gz HKFRWSANYGGEKZ-NSHDSACASA-N -1 3 385.388 -0.421 20 0 GBADHM O=C(NC[C@H]1CN(C(=O)c2ncc[nH]2)CCCO1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571255289 953347784 /nfs/dbraw/zinc/34/77/84/953347784.db2.gz HKFRWSANYGGEKZ-NSHDSACASA-N -1 3 385.388 -0.421 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)c1nc(C)c[nH]1 ZINC001571255294 953347630 /nfs/dbraw/zinc/34/76/30/953347630.db2.gz HONRHMGKUAAUBY-VXGBXAGGSA-N -1 3 385.388 -0.504 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)c1nc(C)c[nH]1 ZINC001571255294 953347627 /nfs/dbraw/zinc/34/76/27/953347627.db2.gz HONRHMGKUAAUBY-VXGBXAGGSA-N -1 3 385.388 -0.504 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001571255296 953347901 /nfs/dbraw/zinc/34/79/01/953347901.db2.gz HRWHBPCRVGNKDJ-NOZJJQNGSA-N -1 3 385.388 -0.423 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001571255296 953347897 /nfs/dbraw/zinc/34/78/97/953347897.db2.gz HRWHBPCRVGNKDJ-NOZJJQNGSA-N -1 3 385.388 -0.423 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001571255297 953347918 /nfs/dbraw/zinc/34/79/18/953347918.db2.gz HRWHBPCRVGNKDJ-RNCFNFMXSA-N -1 3 385.388 -0.423 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001571255297 953347916 /nfs/dbraw/zinc/34/79/16/953347916.db2.gz HRWHBPCRVGNKDJ-RNCFNFMXSA-N -1 3 385.388 -0.423 20 0 GBADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001571255298 953348264 /nfs/dbraw/zinc/34/82/64/953348264.db2.gz HRWHBPCRVGNKDJ-TVQRCGJNSA-N -1 3 385.388 -0.423 20 0 GBADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001571255298 953348262 /nfs/dbraw/zinc/34/82/62/953348262.db2.gz HRWHBPCRVGNKDJ-TVQRCGJNSA-N -1 3 385.388 -0.423 20 0 GBADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001571255299 953347701 /nfs/dbraw/zinc/34/77/01/953347701.db2.gz HRWHBPCRVGNKDJ-ZANVPECISA-N -1 3 385.388 -0.423 20 0 GBADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CN(C(=O)c2cn[nH]c2)CCO1 ZINC001571255299 953347695 /nfs/dbraw/zinc/34/76/95/953347695.db2.gz HRWHBPCRVGNKDJ-ZANVPECISA-N -1 3 385.388 -0.423 20 0 GBADHM Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)[nH]1 ZINC001571255312 953348140 /nfs/dbraw/zinc/34/81/40/953348140.db2.gz HUVQEIJHELIUFK-NEPJUHHUSA-N -1 3 385.388 -0.850 20 0 GBADHM Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)[nH]1 ZINC001571255312 953348136 /nfs/dbraw/zinc/34/81/36/953348136.db2.gz HUVQEIJHELIUFK-NEPJUHHUSA-N -1 3 385.388 -0.850 20 0 GBADHM Cn1cc(C(=O)N2CCO[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)[nH]c1=O ZINC001571255314 953347883 /nfs/dbraw/zinc/34/78/83/953347883.db2.gz HWGSEHZZDZEHDE-LLVKDONJSA-N -1 3 385.388 -0.346 20 0 GBADHM Cn1cc(C(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)[nH]c1=O ZINC001571255315 953348238 /nfs/dbraw/zinc/34/82/38/953348238.db2.gz HWGSEHZZDZEHDE-NSHDSACASA-N -1 3 385.388 -0.346 20 0 GBADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001571255317 953347909 /nfs/dbraw/zinc/34/79/09/953347909.db2.gz HWZSGLWDTUJWCC-GXSJLCMTSA-N -1 3 385.392 -0.955 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001571255318 953347607 /nfs/dbraw/zinc/34/76/07/953347607.db2.gz HWZSGLWDTUJWCC-KOLCDFICSA-N -1 3 385.392 -0.955 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001571255319 953347676 /nfs/dbraw/zinc/34/76/76/953347676.db2.gz HWZSGLWDTUJWCC-MWLCHTKSSA-N -1 3 385.392 -0.955 20 0 GBADHM C[C@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@@H]1CN(C(=O)Cc2nnc[nH]2)CCO1 ZINC001571255320 953347778 /nfs/dbraw/zinc/34/77/78/953347778.db2.gz HWZSGLWDTUJWCC-ONGXEEELSA-N -1 3 385.392 -0.955 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571255324 953347869 /nfs/dbraw/zinc/34/78/69/953347869.db2.gz HYVIYUJTOABYLV-GMSGAONNSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571255324 953347867 /nfs/dbraw/zinc/34/78/67/953347867.db2.gz HYVIYUJTOABYLV-GMSGAONNSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571255325 953347620 /nfs/dbraw/zinc/34/76/20/953347620.db2.gz HYVIYUJTOABYLV-OIBJUYFYSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571255325 953347616 /nfs/dbraw/zinc/34/76/16/953347616.db2.gz HYVIYUJTOABYLV-OIBJUYFYSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571255326 953347891 /nfs/dbraw/zinc/34/78/91/953347891.db2.gz HYVIYUJTOABYLV-XCBNKYQSSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571255326 953347888 /nfs/dbraw/zinc/34/78/88/953347888.db2.gz HYVIYUJTOABYLV-XCBNKYQSSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571255327 953347595 /nfs/dbraw/zinc/34/75/95/953347595.db2.gz HYVIYUJTOABYLV-XVKPBYJWSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571255327 953347591 /nfs/dbraw/zinc/34/75/91/953347591.db2.gz HYVIYUJTOABYLV-XVKPBYJWSA-N -1 3 385.388 -0.035 20 0 GBADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCN1C(=O)c1nnn(C)n1 ZINC001571255345 953348058 /nfs/dbraw/zinc/34/80/58/953348058.db2.gz IKLBMKWAHVYQLR-GXSJLCMTSA-N -1 3 385.392 -0.859 20 0 GBADHM CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCN1C(=O)c1nnn(C)n1 ZINC001571255345 953348052 /nfs/dbraw/zinc/34/80/52/953348052.db2.gz IKLBMKWAHVYQLR-GXSJLCMTSA-N -1 3 385.392 -0.859 20 0 GBADHM Cc1cc(NC(=O)[C@@H](C)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)on1 ZINC001571255347 953347807 /nfs/dbraw/zinc/34/78/07/953347807.db2.gz INWZBTFQQMVSKA-SECBINFHSA-N -1 3 385.388 -0.068 20 0 GBADHM Cc1cc(NC(=O)[C@@H](C)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)on1 ZINC001571255347 953347804 /nfs/dbraw/zinc/34/78/04/953347804.db2.gz INWZBTFQQMVSKA-SECBINFHSA-N -1 3 385.388 -0.068 20 0 GBADHM Cc1cc(NC(=O)[C@H](C)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)on1 ZINC001571255350 953347642 /nfs/dbraw/zinc/34/76/42/953347642.db2.gz INWZBTFQQMVSKA-VIFPVBQESA-N -1 3 385.388 -0.068 20 0 GBADHM Cc1cc(NC(=O)[C@H](C)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)on1 ZINC001571255350 953347638 /nfs/dbraw/zinc/34/76/38/953347638.db2.gz INWZBTFQQMVSKA-VIFPVBQESA-N -1 3 385.388 -0.068 20 0 GBADHM CN(C[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1c[nH]c(=O)n1C ZINC001571255380 953349028 /nfs/dbraw/zinc/34/90/28/953349028.db2.gz IVWRSMUZVNERSN-JTQLQIEISA-N -1 3 385.388 -0.379 20 0 GBADHM CN(C[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1c[nH]c(=O)n1C ZINC001571255380 953349026 /nfs/dbraw/zinc/34/90/26/953349026.db2.gz IVWRSMUZVNERSN-JTQLQIEISA-N -1 3 385.388 -0.379 20 0 GBADHM CN(C[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)c1c[nH]c(=O)n1C ZINC001571255384 953349088 /nfs/dbraw/zinc/34/90/88/953349088.db2.gz IVWRSMUZVNERSN-SNVBAGLBSA-N -1 3 385.388 -0.379 20 0 GBADHM CN(C[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)c1c[nH]c(=O)n1C ZINC001571255384 953349081 /nfs/dbraw/zinc/34/90/81/953349081.db2.gz IVWRSMUZVNERSN-SNVBAGLBSA-N -1 3 385.388 -0.379 20 0 GBADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001571255403 953349097 /nfs/dbraw/zinc/34/90/97/953349097.db2.gz JIUKEQFDWTVCSR-UHFFFAOYSA-N -1 3 385.392 -0.905 20 0 GBADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(C(=O)c2nnn(C)n2)CC1 ZINC001571255403 953349093 /nfs/dbraw/zinc/34/90/93/953349093.db2.gz JIUKEQFDWTVCSR-UHFFFAOYSA-N -1 3 385.392 -0.905 20 0 GBADHM Cc1cc(NC(=O)CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001571255406 953348988 /nfs/dbraw/zinc/34/89/88/953348988.db2.gz JNBOYGXVXNELJB-LLVKDONJSA-N -1 3 385.388 -0.066 20 0 GBADHM Cc1cc(NC(=O)CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001571255406 953348985 /nfs/dbraw/zinc/34/89/85/953348985.db2.gz JNBOYGXVXNELJB-LLVKDONJSA-N -1 3 385.388 -0.066 20 0 GBADHM Cc1cc(NC(=O)CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001571255410 953349198 /nfs/dbraw/zinc/34/91/98/953349198.db2.gz JNBOYGXVXNELJB-NSHDSACASA-N -1 3 385.388 -0.066 20 0 GBADHM Cc1cc(NC(=O)CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001571255410 953349195 /nfs/dbraw/zinc/34/91/95/953349195.db2.gz JNBOYGXVXNELJB-NSHDSACASA-N -1 3 385.388 -0.066 20 0 GBADHM NC(=O)c1c[nH]c(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)c1 ZINC001571255486 953349501 /nfs/dbraw/zinc/34/95/01/953349501.db2.gz LTPPKMHUICWTMT-SNVBAGLBSA-N -1 3 385.363 -0.164 20 0 GBADHM NC(=O)c1c[nH]c(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)c1 ZINC001571255486 953349498 /nfs/dbraw/zinc/34/94/98/953349498.db2.gz LTPPKMHUICWTMT-SNVBAGLBSA-N -1 3 385.363 -0.164 20 0 GBADHM COC(=O)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571255527 953351367 /nfs/dbraw/zinc/35/13/67/953351367.db2.gz MWORBUCAGRQVCQ-PRHODGIISA-N -1 3 385.377 -0.138 20 0 GBADHM CCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001571255578 953351205 /nfs/dbraw/zinc/35/12/05/953351205.db2.gz JPZJAOJXJQTHGI-CHWSQXEVSA-N -1 3 385.388 -0.904 20 0 GBADHM CCc1n[nH]cc1C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001571255578 953351204 /nfs/dbraw/zinc/35/12/04/953351204.db2.gz JPZJAOJXJQTHGI-CHWSQXEVSA-N -1 3 385.388 -0.904 20 0 GBADHM Cc1nonc1CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001571255580 953350682 /nfs/dbraw/zinc/35/06/82/953350682.db2.gz JQHJUEYVXIHTGL-KOLCDFICSA-N -1 3 385.388 -0.152 20 0 GBADHM Cc1nonc1CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001571255580 953350677 /nfs/dbraw/zinc/35/06/77/953350677.db2.gz JQHJUEYVXIHTGL-KOLCDFICSA-N -1 3 385.388 -0.152 20 0 GBADHM O=C(NC1CC(CNc2ncccc2-c2nn[n-]n2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001571255594 953350804 /nfs/dbraw/zinc/35/08/04/953350804.db2.gz JYLGBNCWNABAFS-AMUVOQDHSA-N -1 3 385.388 -0.834 20 0 GBADHM O=C(NC1CC(CNc2ncccc2-c2nnn[n-]2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001571255594 953350801 /nfs/dbraw/zinc/35/08/01/953350801.db2.gz JYLGBNCWNABAFS-AMUVOQDHSA-N -1 3 385.388 -0.834 20 0 GBADHM CCn1ccnc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001571255596 953350634 /nfs/dbraw/zinc/35/06/34/953350634.db2.gz KATQAWLKIIELKJ-NEPJUHHUSA-N -1 3 385.388 -0.974 20 0 GBADHM CCn1ccnc1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001571255596 953350628 /nfs/dbraw/zinc/35/06/28/953350628.db2.gz KATQAWLKIIELKJ-NEPJUHHUSA-N -1 3 385.388 -0.974 20 0 GBADHM CCn1ccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571255598 953350922 /nfs/dbraw/zinc/35/09/22/953350922.db2.gz KATQAWLKIIELKJ-VXGBXAGGSA-N -1 3 385.388 -0.974 20 0 GBADHM CCn1ccnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571255598 953350919 /nfs/dbraw/zinc/35/09/19/953350919.db2.gz KATQAWLKIIELKJ-VXGBXAGGSA-N -1 3 385.388 -0.974 20 0 GBADHM Cn1cc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)[nH]c1=O ZINC001571255602 953352801 /nfs/dbraw/zinc/35/28/01/953352801.db2.gz KDAVJLUBNCPDSB-WAAGHKOSSA-N -1 3 385.388 -0.428 20 0 GBADHM CN(C[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001571255644 953351569 /nfs/dbraw/zinc/35/15/69/953351569.db2.gz KRYBQAFXTDGKHH-SECBINFHSA-N -1 3 385.388 -0.379 20 0 GBADHM CN(C[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)c1cn(C)c(=O)[nH]1 ZINC001571255645 953352570 /nfs/dbraw/zinc/35/25/70/953352570.db2.gz KRYBQAFXTDGKHH-VIFPVBQESA-N -1 3 385.388 -0.379 20 0 GBADHM C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571255659 953352167 /nfs/dbraw/zinc/35/21/67/953352167.db2.gz KZXGZIYRYXENDR-PSASIEDQSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571255659 953352159 /nfs/dbraw/zinc/35/21/59/953352159.db2.gz KZXGZIYRYXENDR-PSASIEDQSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571255661 953352759 /nfs/dbraw/zinc/35/27/59/953352759.db2.gz KZXGZIYRYXENDR-SCZZXKLOSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571255661 953352752 /nfs/dbraw/zinc/35/27/52/953352752.db2.gz KZXGZIYRYXENDR-SCZZXKLOSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571255663 953352868 /nfs/dbraw/zinc/35/28/68/953352868.db2.gz KZXGZIYRYXENDR-WCBMZHEXSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571255663 953352863 /nfs/dbraw/zinc/35/28/63/953352863.db2.gz KZXGZIYRYXENDR-WCBMZHEXSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)CN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571255665 953351795 /nfs/dbraw/zinc/35/17/95/953351795.db2.gz KZXGZIYRYXENDR-WPRPVWTQSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)CN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571255665 953351789 /nfs/dbraw/zinc/35/17/89/953351789.db2.gz KZXGZIYRYXENDR-WPRPVWTQSA-N -1 3 385.392 -0.859 20 0 GBADHM Cn1c(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c[nH]c1=O ZINC001571255670 953352237 /nfs/dbraw/zinc/35/22/37/953352237.db2.gz LGGHIVIYAWKYJQ-UHFFFAOYSA-N -1 3 385.388 -0.428 20 0 GBADHM Cn1c(C(=O)NC2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c[nH]c1=O ZINC001571255670 953352231 /nfs/dbraw/zinc/35/22/31/953352231.db2.gz LGGHIVIYAWKYJQ-UHFFFAOYSA-N -1 3 385.388 -0.428 20 0 GBADHM Cn1nnc(C(=O)N2CCC[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571255705 953353419 /nfs/dbraw/zinc/35/34/19/953353419.db2.gz SGJKBBSXDRMGRN-SECBINFHSA-N -1 3 385.392 -1.000 20 0 GBADHM Cn1nnc(C(=O)N2CCC[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571255705 953353413 /nfs/dbraw/zinc/35/34/13/953353413.db2.gz SGJKBBSXDRMGRN-SECBINFHSA-N -1 3 385.392 -1.000 20 0 GBADHM Cn1nnc(C(=O)N2CCC[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571255706 953353930 /nfs/dbraw/zinc/35/39/30/953353930.db2.gz SGJKBBSXDRMGRN-VIFPVBQESA-N -1 3 385.392 -1.000 20 0 GBADHM Cn1nnc(C(=O)N2CCC[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571255706 953353922 /nfs/dbraw/zinc/35/39/22/953353922.db2.gz SGJKBBSXDRMGRN-VIFPVBQESA-N -1 3 385.392 -1.000 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)Cc1ccoc1 ZINC001571255724 953353909 /nfs/dbraw/zinc/35/39/09/953353909.db2.gz MCFVUFCSAMHXJA-ZIAGYGMSSA-N -1 3 385.384 -0.014 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)Cc1ccoc1 ZINC001571255724 953353901 /nfs/dbraw/zinc/35/39/01/953353901.db2.gz MCFVUFCSAMHXJA-ZIAGYGMSSA-N -1 3 385.384 -0.014 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1nnn(C)n1 ZINC001571255743 953353438 /nfs/dbraw/zinc/35/34/38/953353438.db2.gz MGEOSDNAYQJOPZ-PSASIEDQSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1nnn(C)n1 ZINC001571255743 953353433 /nfs/dbraw/zinc/35/34/33/953353433.db2.gz MGEOSDNAYQJOPZ-PSASIEDQSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1nnn(C)n1 ZINC001571255744 953354639 /nfs/dbraw/zinc/35/46/39/953354639.db2.gz MGEOSDNAYQJOPZ-SCZZXKLOSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1nnn(C)n1 ZINC001571255744 953354634 /nfs/dbraw/zinc/35/46/34/953354634.db2.gz MGEOSDNAYQJOPZ-SCZZXKLOSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1nnn(C)n1 ZINC001571255745 953354514 /nfs/dbraw/zinc/35/45/14/953354514.db2.gz MGEOSDNAYQJOPZ-WCBMZHEXSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1nnn(C)n1 ZINC001571255745 953354503 /nfs/dbraw/zinc/35/45/03/953354503.db2.gz MGEOSDNAYQJOPZ-WCBMZHEXSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCN1C(=O)c1nnn(C)n1 ZINC001571255746 953354053 /nfs/dbraw/zinc/35/40/53/953354053.db2.gz MGEOSDNAYQJOPZ-WPRPVWTQSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCN1C(=O)c1nnn(C)n1 ZINC001571255746 953354044 /nfs/dbraw/zinc/35/40/44/953354044.db2.gz MGEOSDNAYQJOPZ-WPRPVWTQSA-N -1 3 385.392 -0.859 20 0 GBADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)Cc1nonc1C ZINC001571255752 953354538 /nfs/dbraw/zinc/35/45/38/953354538.db2.gz MNZREVLVMAHTQB-ZIAGYGMSSA-N -1 3 385.388 -0.484 20 0 GBADHM CO[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1NC(=O)Cc1nonc1C ZINC001571255752 953354529 /nfs/dbraw/zinc/35/45/29/953354529.db2.gz MNZREVLVMAHTQB-ZIAGYGMSSA-N -1 3 385.388 -0.484 20 0 GBADHM CCn1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)n1 ZINC001571255761 953353534 /nfs/dbraw/zinc/35/35/34/953353534.db2.gz MWQJSLPSPLAFBR-OLZOCXBDSA-N -1 3 385.388 -0.974 20 0 GBADHM CCn1ccc(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)n1 ZINC001571255761 953353527 /nfs/dbraw/zinc/35/35/27/953353527.db2.gz MWQJSLPSPLAFBR-OLZOCXBDSA-N -1 3 385.388 -0.974 20 0 GBADHM O=C(CN1CCNC(=O)C1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC001571255889 953357543 /nfs/dbraw/zinc/35/75/43/953357543.db2.gz RAOREMWVSAIGMR-UHFFFAOYSA-N -1 3 385.363 -0.438 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CCO[C@@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571255909 953358004 /nfs/dbraw/zinc/35/80/04/953358004.db2.gz WJPUOJCVMQQVJY-GZMMTYOYSA-N -1 3 385.392 -0.575 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CCO[C@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571255913 953357382 /nfs/dbraw/zinc/35/73/82/953357382.db2.gz WJPUOJCVMQQVJY-KCJUWKMLSA-N -1 3 385.392 -0.575 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CCO[C@H]([C@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571255915 953357507 /nfs/dbraw/zinc/35/75/07/953357507.db2.gz WJPUOJCVMQQVJY-KWQFWETISA-N -1 3 385.392 -0.575 20 0 GBADHM Cc1n[nH]nc1C(=O)N1CCO[C@@H]([C@@H](C)Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571255917 953357672 /nfs/dbraw/zinc/35/76/72/953357672.db2.gz WJPUOJCVMQQVJY-LDYMZIIASA-N -1 3 385.392 -0.575 20 0 GBADHM CO[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1NC(=O)c1ccnnc1 ZINC001571255918 953357898 /nfs/dbraw/zinc/35/78/98/953357898.db2.gz RLQFRQWLOLRGSH-CHWSQXEVSA-N -1 3 385.363 -0.176 20 0 GBADHM CO[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1NC(=O)c1ccnnc1 ZINC001571255918 953357891 /nfs/dbraw/zinc/35/78/91/953357891.db2.gz RLQFRQWLOLRGSH-CHWSQXEVSA-N -1 3 385.363 -0.176 20 0 GBADHM Cc1nonc1CC(=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571255958 953359840 /nfs/dbraw/zinc/35/98/40/953359840.db2.gz NBRQAUSTOLVTIO-UHFFFAOYSA-N -1 3 385.388 -0.246 20 0 GBADHM Cc1nonc1CC(=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571255958 953359834 /nfs/dbraw/zinc/35/98/34/953359834.db2.gz NBRQAUSTOLVTIO-UHFFFAOYSA-N -1 3 385.388 -0.246 20 0 GBADHM CCOc1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)[nH]n1 ZINC001571255967 953360515 /nfs/dbraw/zinc/36/05/15/953360515.db2.gz NFZMPHYQNKMWJA-JTQLQIEISA-N -1 3 385.388 -0.039 20 0 GBADHM CCOc1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)[nH]n1 ZINC001571255967 953360508 /nfs/dbraw/zinc/36/05/08/953360508.db2.gz NFZMPHYQNKMWJA-JTQLQIEISA-N -1 3 385.388 -0.039 20 0 GBADHM CCOc1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)[nH]n1 ZINC001571255968 953360166 /nfs/dbraw/zinc/36/01/66/953360166.db2.gz NFZMPHYQNKMWJA-SNVBAGLBSA-N -1 3 385.388 -0.039 20 0 GBADHM CCOc1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)[nH]n1 ZINC001571255968 953360158 /nfs/dbraw/zinc/36/01/58/953360158.db2.gz NFZMPHYQNKMWJA-SNVBAGLBSA-N -1 3 385.388 -0.039 20 0 GBADHM COCc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)o1 ZINC001571255969 953359349 /nfs/dbraw/zinc/35/93/49/953359349.db2.gz NJFMHHXFXSVKHN-KGLIPLIRSA-N -1 3 385.384 -0.019 20 0 GBADHM COCc1ccc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)o1 ZINC001571255969 953359341 /nfs/dbraw/zinc/35/93/41/953359341.db2.gz NJFMHHXFXSVKHN-KGLIPLIRSA-N -1 3 385.384 -0.019 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571255971 953360077 /nfs/dbraw/zinc/36/00/77/953360077.db2.gz NKVWIODWPPCOOD-DGCLKSJQSA-N -1 3 385.388 -0.802 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571255971 953360070 /nfs/dbraw/zinc/36/00/70/953360070.db2.gz NKVWIODWPPCOOD-DGCLKSJQSA-N -1 3 385.388 -0.802 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571255972 953359146 /nfs/dbraw/zinc/35/91/46/953359146.db2.gz NMBXZDLVJGYNCG-GMSGAONNSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571255972 953359140 /nfs/dbraw/zinc/35/91/40/953359140.db2.gz NMBXZDLVJGYNCG-GMSGAONNSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001571255973 953360211 /nfs/dbraw/zinc/36/02/11/953360211.db2.gz NMBXZDLVJGYNCG-OIBJUYFYSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001571255973 953360201 /nfs/dbraw/zinc/36/02/01/953360201.db2.gz NMBXZDLVJGYNCG-OIBJUYFYSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001571255974 953360054 /nfs/dbraw/zinc/36/00/54/953360054.db2.gz NMBXZDLVJGYNCG-XCBNKYQSSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001571255974 953360048 /nfs/dbraw/zinc/36/00/48/953360048.db2.gz NMBXZDLVJGYNCG-XCBNKYQSSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001571255975 953359806 /nfs/dbraw/zinc/35/98/06/953359806.db2.gz NMBXZDLVJGYNCG-XVKPBYJWSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001571255975 953359799 /nfs/dbraw/zinc/35/97/99/953359799.db2.gz NMBXZDLVJGYNCG-XVKPBYJWSA-N -1 3 385.388 -0.035 20 0 GBADHM CCc1n[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571255978 953359106 /nfs/dbraw/zinc/35/91/06/953359106.db2.gz NNRFQULTHGVXMT-CHWSQXEVSA-N -1 3 385.388 -0.904 20 0 GBADHM CCc1n[nH]cc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571255978 953359102 /nfs/dbraw/zinc/35/91/02/953359102.db2.gz NNRFQULTHGVXMT-CHWSQXEVSA-N -1 3 385.388 -0.904 20 0 GBADHM Cc1nonc1CC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571255984 953359203 /nfs/dbraw/zinc/35/92/03/953359203.db2.gz NPNYIPCQTBDOFX-LLVKDONJSA-N -1 3 385.388 -0.150 20 0 GBADHM Cc1nonc1CC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571255984 953359197 /nfs/dbraw/zinc/35/91/97/953359197.db2.gz NPNYIPCQTBDOFX-LLVKDONJSA-N -1 3 385.388 -0.150 20 0 GBADHM Cc1nonc1CC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571255985 953359419 /nfs/dbraw/zinc/35/94/19/953359419.db2.gz NPNYIPCQTBDOFX-NSHDSACASA-N -1 3 385.388 -0.150 20 0 GBADHM Cc1nonc1CC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571255985 953359411 /nfs/dbraw/zinc/35/94/11/953359411.db2.gz NPNYIPCQTBDOFX-NSHDSACASA-N -1 3 385.388 -0.150 20 0 GBADHM CCc1nc(NC[C@@H]2CN(C(=O)c3cn[nH]n3)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571256003 953361673 /nfs/dbraw/zinc/36/16/73/953361673.db2.gz NXCHKUBGWPQYPW-SECBINFHSA-N -1 3 385.392 -0.710 20 0 GBADHM CCc1nc(NC[C@H]2CN(C(=O)c3cn[nH]n3)CCO2)cc(-c2nnn[n-]2)n1 ZINC001571256004 953362346 /nfs/dbraw/zinc/36/23/46/953362346.db2.gz NXCHKUBGWPQYPW-VIFPVBQESA-N -1 3 385.392 -0.710 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1C[C@H]2CCN(C(=O)C3=COCCO3)C[C@H]21 ZINC001571256005 953361454 /nfs/dbraw/zinc/36/14/54/953361454.db2.gz NXQTZHAMJIVGIB-ZWNOBZJWSA-N -1 3 385.384 -0.244 20 0 GBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1C[C@H]2CCN(C(=O)C3=COCCO3)C[C@H]21 ZINC001571256005 953361446 /nfs/dbraw/zinc/36/14/46/953361446.db2.gz NXQTZHAMJIVGIB-ZWNOBZJWSA-N -1 3 385.384 -0.244 20 0 GBADHM COc1nn(C)cc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571256011 953361287 /nfs/dbraw/zinc/36/12/87/953361287.db2.gz OFMORMGILBEGOI-JTQLQIEISA-N -1 3 385.388 -0.419 20 0 GBADHM COc1nn(C)cc1C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571256011 953361280 /nfs/dbraw/zinc/36/12/80/953361280.db2.gz OFMORMGILBEGOI-JTQLQIEISA-N -1 3 385.388 -0.419 20 0 GBADHM COc1nn(C)cc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571256012 953361708 /nfs/dbraw/zinc/36/17/08/953361708.db2.gz OFMORMGILBEGOI-SNVBAGLBSA-N -1 3 385.388 -0.419 20 0 GBADHM COc1nn(C)cc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571256012 953361699 /nfs/dbraw/zinc/36/16/99/953361699.db2.gz OFMORMGILBEGOI-SNVBAGLBSA-N -1 3 385.388 -0.419 20 0 GBADHM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001571256030 953360840 /nfs/dbraw/zinc/36/08/40/953360840.db2.gz OOUYMXGSRDHLPM-PEXQALLHSA-N -1 3 385.388 -0.834 20 0 GBADHM O=C(NC[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001571256030 953360834 /nfs/dbraw/zinc/36/08/34/953360834.db2.gz OOUYMXGSRDHLPM-PEXQALLHSA-N -1 3 385.388 -0.834 20 0 GBADHM O=C(NC[C@H]1CCC2(CN(Cc3cnon3)C2)O1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571256048 953360908 /nfs/dbraw/zinc/36/09/08/953360908.db2.gz OZUOGFQTJRIUFN-GFCCVEGCSA-N -1 3 385.388 -0.259 20 0 GBADHM O=C(NC[C@H]1CCC2(CN(Cc3cnon3)C2)O1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571256048 953360902 /nfs/dbraw/zinc/36/09/02/953360902.db2.gz OZUOGFQTJRIUFN-GFCCVEGCSA-N -1 3 385.388 -0.259 20 0 GBADHM 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Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]2O)[nH]1 ZINC001571256052 953362444 /nfs/dbraw/zinc/36/24/44/953362444.db2.gz PBZPBQBTGOUXPH-VXGBXAGGSA-N -1 3 385.388 -0.850 20 0 GBADHM Cc1nc(C)c(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]2O)[nH]1 ZINC001571256052 953362437 /nfs/dbraw/zinc/36/24/37/953362437.db2.gz PBZPBQBTGOUXPH-VXGBXAGGSA-N -1 3 385.388 -0.850 20 0 GBADHM Cn1cc(OCC(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cn1 ZINC001571256054 953361059 /nfs/dbraw/zinc/36/10/59/953361059.db2.gz PKVUWVYAFCLIPE-UHFFFAOYSA-N -1 3 385.388 -0.708 20 0 GBADHM Cn1cc(OCC(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cn1 ZINC001571256054 953361050 /nfs/dbraw/zinc/36/10/50/953361050.db2.gz PKVUWVYAFCLIPE-UHFFFAOYSA-N -1 3 385.388 -0.708 20 0 GBADHM O=C(NC[C@@H]1CN(C(=O)c2ncc[nH]2)CCCO1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571256055 953361875 /nfs/dbraw/zinc/36/18/75/953361875.db2.gz PKYHLZZDBVPXLR-LLVKDONJSA-N -1 3 385.388 -0.421 20 0 GBADHM 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Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)[nH]n1 ZINC001571256062 953362210 /nfs/dbraw/zinc/36/22/10/953362210.db2.gz PODISJIFSIFMOF-MFKMUULPSA-N -1 3 385.388 -0.768 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)[nH]n1 ZINC001571256179 953366216 /nfs/dbraw/zinc/36/62/16/953366216.db2.gz PODISJIFSIFMOF-ZWNOBZJWSA-N -1 3 385.388 -0.768 20 0 GBADHM CN(C(=O)c1c[nH]c(=O)n1C)C1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571256180 953364786 /nfs/dbraw/zinc/36/47/86/953364786.db2.gz PPPDJCQRJXIUCS-UHFFFAOYSA-N -1 3 385.388 -0.333 20 0 GBADHM CN(C(=O)c1c[nH]c(=O)n1C)C1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571256180 953364779 /nfs/dbraw/zinc/36/47/79/953364779.db2.gz PPPDJCQRJXIUCS-UHFFFAOYSA-N -1 3 385.388 -0.333 20 0 GBADHM O=C(Cc1ccco1)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001571256190 953365616 /nfs/dbraw/zinc/36/56/16/953365616.db2.gz PTPNFNLYWFLQOG-GXTWGEPZSA-N -1 3 385.384 -0.278 20 0 GBADHM 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385.384 -0.213 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N(C)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571256282 953367225 /nfs/dbraw/zinc/36/72/25/953367225.db2.gz RRJURBXSRIVRSC-UHFFFAOYSA-N -1 3 385.388 -0.035 20 0 GBADHM Cc1[nH]c(=O)[nH]c1C(=O)N(C)C1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571256282 953367220 /nfs/dbraw/zinc/36/72/20/953367220.db2.gz RRJURBXSRIVRSC-UHFFFAOYSA-N -1 3 385.388 -0.035 20 0 GBADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001571256292 953367166 /nfs/dbraw/zinc/36/71/66/953367166.db2.gz UJACCHDYWCFXSQ-GHMZBOCLSA-N -1 3 385.377 -0.253 20 0 GBADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC001571256292 953367159 /nfs/dbraw/zinc/36/71/59/953367159.db2.gz UJACCHDYWCFXSQ-GHMZBOCLSA-N -1 3 385.377 -0.253 20 0 GBADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](O)[C@H](F)C1 ZINC001571256293 953367503 /nfs/dbraw/zinc/36/75/03/953367503.db2.gz UJACCHDYWCFXSQ-MNOVXSKESA-N -1 3 385.377 -0.253 20 0 GBADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](O)[C@H](F)C1 ZINC001571256293 953367475 /nfs/dbraw/zinc/36/74/75/953367475.db2.gz UJACCHDYWCFXSQ-MNOVXSKESA-N -1 3 385.377 -0.253 20 0 GBADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@H](O)[C@@H](F)C1 ZINC001571256296 953368147 /nfs/dbraw/zinc/36/81/47/953368147.db2.gz UJACCHDYWCFXSQ-QWRGUYRKSA-N -1 3 385.377 -0.253 20 0 GBADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@H](O)[C@@H](F)C1 ZINC001571256296 953368138 /nfs/dbraw/zinc/36/81/38/953368138.db2.gz UJACCHDYWCFXSQ-QWRGUYRKSA-N -1 3 385.377 -0.253 20 0 GBADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC001571256298 953367181 /nfs/dbraw/zinc/36/71/81/953367181.db2.gz UJACCHDYWCFXSQ-WDEREUQCSA-N -1 3 385.377 -0.253 20 0 GBADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC[C@@H](O)[C@@H](F)C1 ZINC001571256298 953367176 /nfs/dbraw/zinc/36/71/76/953367176.db2.gz UJACCHDYWCFXSQ-WDEREUQCSA-N -1 3 385.377 -0.253 20 0 GBADHM CCn1cc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)cn1 ZINC001571256310 953368783 /nfs/dbraw/zinc/36/87/83/953368783.db2.gz SPSLQKQQXGSZDR-OLZOCXBDSA-N -1 3 385.388 -0.974 20 0 GBADHM CCn1cc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)cn1 ZINC001571256310 953368775 /nfs/dbraw/zinc/36/87/75/953368775.db2.gz SPSLQKQQXGSZDR-OLZOCXBDSA-N -1 3 385.388 -0.974 20 0 GBADHM Cn1c(C(=O)NC[C@H]2CN(c3ncccc3-c3nn[n-]n3)CCO2)c[nH]c1=O ZINC001571256312 953367238 /nfs/dbraw/zinc/36/72/38/953367238.db2.gz SSUHVQQBYIHWKM-JTQLQIEISA-N -1 3 385.388 -0.664 20 0 GBADHM Cn1c(C(=O)NC[C@H]2CN(c3ncccc3-c3nnn[n-]3)CCO2)c[nH]c1=O ZINC001571256312 953367233 /nfs/dbraw/zinc/36/72/33/953367233.db2.gz SSUHVQQBYIHWKM-JTQLQIEISA-N -1 3 385.388 -0.664 20 0 GBADHM Cn1c(C(=O)NC[C@@H]2CN(c3ncccc3-c3nn[n-]n3)CCO2)c[nH]c1=O ZINC001571256315 953368302 /nfs/dbraw/zinc/36/83/02/953368302.db2.gz SSUHVQQBYIHWKM-SNVBAGLBSA-N -1 3 385.388 -0.664 20 0 GBADHM Cn1c(C(=O)NC[C@@H]2CN(c3ncccc3-c3nnn[n-]3)CCO2)c[nH]c1=O ZINC001571256315 953368296 /nfs/dbraw/zinc/36/82/96/953368296.db2.gz SSUHVQQBYIHWKM-SNVBAGLBSA-N -1 3 385.388 -0.664 20 0 GBADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001571256322 953369293 /nfs/dbraw/zinc/36/92/93/953369293.db2.gz SUGHZFVYQKSKOC-JTQLQIEISA-N -1 3 385.388 -0.379 20 0 GBADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001571256322 953369281 /nfs/dbraw/zinc/36/92/81/953369281.db2.gz SUGHZFVYQKSKOC-JTQLQIEISA-N -1 3 385.388 -0.379 20 0 GBADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001571256324 953369120 /nfs/dbraw/zinc/36/91/20/953369120.db2.gz SUGHZFVYQKSKOC-SNVBAGLBSA-N -1 3 385.388 -0.379 20 0 GBADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)n2C)C1 ZINC001571256324 953369109 /nfs/dbraw/zinc/36/91/09/953369109.db2.gz SUGHZFVYQKSKOC-SNVBAGLBSA-N -1 3 385.388 -0.379 20 0 GBADHM 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GBADHM NC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571259282 945383305 /nfs/dbraw/zinc/38/33/05/945383305.db2.gz FCLCYAGWAQMLLK-STQMWFEESA-N -1 3 385.432 -0.110 20 0 GBADHM NC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571259282 945383294 /nfs/dbraw/zinc/38/32/94/945383294.db2.gz FCLCYAGWAQMLLK-STQMWFEESA-N -1 3 385.432 -0.110 20 0 GBADHM O=C(NC[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1)[C@@H]1CCC(=O)N1 ZINC001571259342 945384110 /nfs/dbraw/zinc/38/41/10/945384110.db2.gz LKVVUSAOCAVABS-CABCVRRESA-N -1 3 385.428 -0.538 20 0 GBADHM O=C(NC[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1)[C@@H]1CCC(=O)N1 ZINC001571259342 945384097 /nfs/dbraw/zinc/38/40/97/945384097.db2.gz LKVVUSAOCAVABS-CABCVRRESA-N -1 3 385.428 -0.538 20 0 GBADHM O=C(NC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1)[C@@H]1CCC(=O)N1 ZINC001571259343 945383431 /nfs/dbraw/zinc/38/34/31/945383431.db2.gz LKVVUSAOCAVABS-GJZGRUSLSA-N -1 3 385.428 -0.538 20 0 GBADHM O=C(NC[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1)[C@@H]1CCC(=O)N1 ZINC001571259343 945383419 /nfs/dbraw/zinc/38/34/19/945383419.db2.gz LKVVUSAOCAVABS-GJZGRUSLSA-N -1 3 385.428 -0.538 20 0 GBADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CC[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001571259361 945387090 /nfs/dbraw/zinc/38/70/90/945387090.db2.gz LZPBPWQYUIJEBM-NEPJUHHUSA-N -1 3 385.432 -0.336 20 0 GBADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CC[C@@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001571259361 945387082 /nfs/dbraw/zinc/38/70/82/945387082.db2.gz LZPBPWQYUIJEBM-NEPJUHHUSA-N -1 3 385.432 -0.336 20 0 GBADHM C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001571259362 945385576 /nfs/dbraw/zinc/38/55/76/945385576.db2.gz FWFKCCAWVJIOHW-DGCLKSJQSA-N -1 3 385.432 -0.064 20 0 GBADHM C[C@@H]1CN(C(=O)CN2CCCNC2=O)C[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001571259362 945385564 /nfs/dbraw/zinc/38/55/64/945385564.db2.gz FWFKCCAWVJIOHW-DGCLKSJQSA-N -1 3 385.432 -0.064 20 0 GBADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001571259363 945384975 /nfs/dbraw/zinc/38/49/75/945384975.db2.gz LZPBPWQYUIJEBM-NWDGAFQWSA-N -1 3 385.432 -0.336 20 0 GBADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CC[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001571259363 945384962 /nfs/dbraw/zinc/38/49/62/945384962.db2.gz LZPBPWQYUIJEBM-NWDGAFQWSA-N -1 3 385.432 -0.336 20 0 GBADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CC[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001571259365 945386019 /nfs/dbraw/zinc/38/60/19/945386019.db2.gz LZPBPWQYUIJEBM-RYUDHWBXSA-N -1 3 385.432 -0.336 20 0 GBADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CC[C@@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001571259365 945386012 /nfs/dbraw/zinc/38/60/12/945386012.db2.gz LZPBPWQYUIJEBM-RYUDHWBXSA-N -1 3 385.432 -0.336 20 0 GBADHM CC1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CC[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001571259367 945386361 /nfs/dbraw/zinc/38/63/61/945386361.db2.gz LZPBPWQYUIJEBM-VXGBXAGGSA-N -1 3 385.432 -0.336 20 0 GBADHM CC1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CC[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001571259367 945386356 /nfs/dbraw/zinc/38/63/56/945386356.db2.gz LZPBPWQYUIJEBM-VXGBXAGGSA-N -1 3 385.432 -0.336 20 0 GBADHM CC(C)(C)n1nnc(CCN2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571259405 945385683 /nfs/dbraw/zinc/38/56/83/945385683.db2.gz GHHKMDVFNDPMJB-UHFFFAOYSA-N -1 3 385.436 -0.407 20 0 GBADHM CC(C)(C)n1nnc(CCN2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571259405 945385670 /nfs/dbraw/zinc/38/56/70/945385670.db2.gz GHHKMDVFNDPMJB-UHFFFAOYSA-N -1 3 385.436 -0.407 20 0 GBADHM CCCn1nnnc1CN1CC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571259437 945389257 /nfs/dbraw/zinc/38/92/57/945389257.db2.gz GLTITZPBOZOPFK-JTQLQIEISA-N -1 3 385.436 -0.158 20 0 GBADHM CCCn1nnnc1CN1CC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571259437 945389250 /nfs/dbraw/zinc/38/92/50/945389250.db2.gz GLTITZPBOZOPFK-JTQLQIEISA-N -1 3 385.436 -0.158 20 0 GBADHM CCCn1nnnc1CN1CC([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571259441 945388246 /nfs/dbraw/zinc/38/82/46/945388246.db2.gz GLTITZPBOZOPFK-SNVBAGLBSA-N -1 3 385.436 -0.158 20 0 GBADHM CCCn1nnnc1CN1CC([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571259441 945388243 /nfs/dbraw/zinc/38/82/43/945388243.db2.gz GLTITZPBOZOPFK-SNVBAGLBSA-N -1 3 385.436 -0.158 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571259443 945389295 /nfs/dbraw/zinc/38/92/95/945389295.db2.gz NHNLXBXHMXGYJO-MXYBEHONSA-N -1 3 385.428 -0.068 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCC2)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571259443 945389289 /nfs/dbraw/zinc/38/92/89/945389289.db2.gz NHNLXBXHMXGYJO-MXYBEHONSA-N -1 3 385.428 -0.068 20 0 GBADHM CCCn1nnnc1CN[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571259486 945388066 /nfs/dbraw/zinc/38/80/66/945388066.db2.gz GTQRWKQDEAJTLF-LBPRGKRZSA-N -1 3 385.436 -0.014 20 0 GBADHM CN1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)C1 ZINC001571259490 945387797 /nfs/dbraw/zinc/38/77/97/945387797.db2.gz GXLLYZIBGFWASX-FRRDWIJNSA-N -1 3 385.432 -0.833 20 0 GBADHM CN1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)C1 ZINC001571259491 945388698 /nfs/dbraw/zinc/38/86/98/945388698.db2.gz GXLLYZIBGFWASX-XQQFMLRXSA-N -1 3 385.432 -0.833 20 0 GBADHM CN(Cc1nnnn1C)C[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571259498 945387970 /nfs/dbraw/zinc/38/79/70/945387970.db2.gz HJDRWJKZIYHIJV-GFCCVEGCSA-N -1 3 385.436 -0.155 20 0 GBADHM CN(Cc1nnnn1C)C[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571259498 945387965 /nfs/dbraw/zinc/38/79/65/945387965.db2.gz HJDRWJKZIYHIJV-GFCCVEGCSA-N -1 3 385.436 -0.155 20 0 GBADHM CN(Cc1nnnn1C)C[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571259499 945387660 /nfs/dbraw/zinc/38/76/60/945387660.db2.gz HJDRWJKZIYHIJV-LBPRGKRZSA-N -1 3 385.436 -0.155 20 0 GBADHM CN(Cc1nnnn1C)C[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571259499 945387649 /nfs/dbraw/zinc/38/76/49/945387649.db2.gz HJDRWJKZIYHIJV-LBPRGKRZSA-N -1 3 385.436 -0.155 20 0 GBADHM C[C@@H](c1nnnn1C)N1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571259500 945388134 /nfs/dbraw/zinc/38/81/34/945388134.db2.gz HJGYFFHPVGLBOX-JTQLQIEISA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@@H](c1nnnn1C)N1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571259500 945388130 /nfs/dbraw/zinc/38/81/30/945388130.db2.gz HJGYFFHPVGLBOX-JTQLQIEISA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@H](c1nnnn1C)N1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001571259501 945389706 /nfs/dbraw/zinc/38/97/06/945389706.db2.gz HJGYFFHPVGLBOX-SNVBAGLBSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@H](c1nnnn1C)N1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001571259501 945389698 /nfs/dbraw/zinc/38/96/98/945389698.db2.gz HJGYFFHPVGLBOX-SNVBAGLBSA-N -1 3 385.436 -0.079 20 0 GBADHM CN1C[C@H](C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)cn3)CC2)NC1=O ZINC001571259506 945388292 /nfs/dbraw/zinc/38/82/92/945388292.db2.gz HMUCXHVEDWYMIK-CYBMUJFWSA-N -1 3 385.432 -0.064 20 0 GBADHM CN1C[C@H](C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)cn3)CC2)NC1=O ZINC001571259506 945388285 /nfs/dbraw/zinc/38/82/85/945388285.db2.gz HMUCXHVEDWYMIK-CYBMUJFWSA-N -1 3 385.432 -0.064 20 0 GBADHM CN1C[C@@H](C(=O)N2CCC(CNc3ccc(-c4nn[n-]n4)cn3)CC2)NC1=O ZINC001571259507 945389369 /nfs/dbraw/zinc/38/93/69/945389369.db2.gz HMUCXHVEDWYMIK-ZDUSSCGKSA-N -1 3 385.432 -0.064 20 0 GBADHM CN1C[C@@H](C(=O)N2CCC(CNc3ccc(-c4nnn[n-]4)cn3)CC2)NC1=O ZINC001571259507 945389361 /nfs/dbraw/zinc/38/93/61/945389361.db2.gz HMUCXHVEDWYMIK-ZDUSSCGKSA-N -1 3 385.432 -0.064 20 0 GBADHM O=C(NC[C@H]1CCCNC1=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571259508 945389465 /nfs/dbraw/zinc/38/94/65/945389465.db2.gz HNJDNVPVHBYNJL-GFCCVEGCSA-N -1 3 385.432 -0.381 20 0 GBADHM O=C(NC[C@H]1CCCNC1=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571259508 945389452 /nfs/dbraw/zinc/38/94/52/945389452.db2.gz HNJDNVPVHBYNJL-GFCCVEGCSA-N -1 3 385.432 -0.381 20 0 GBADHM O=C(NC[C@@H]1CCCNC1=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571259509 945388116 /nfs/dbraw/zinc/38/81/16/945388116.db2.gz HNJDNVPVHBYNJL-LBPRGKRZSA-N -1 3 385.432 -0.381 20 0 GBADHM O=C(NC[C@@H]1CCCNC1=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571259509 945388111 /nfs/dbraw/zinc/38/81/11/945388111.db2.gz HNJDNVPVHBYNJL-LBPRGKRZSA-N -1 3 385.432 -0.381 20 0 GBADHM NC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571259567 945391246 /nfs/dbraw/zinc/39/12/46/945391246.db2.gz HRJCJLLQIMNKMG-AAEUAGOBSA-N -1 3 385.432 -0.110 20 0 GBADHM NC(=O)N1CCCC[C@H]1C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571259567 945391240 /nfs/dbraw/zinc/39/12/40/945391240.db2.gz HRJCJLLQIMNKMG-AAEUAGOBSA-N -1 3 385.432 -0.110 20 0 GBADHM NC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001571259569 945390306 /nfs/dbraw/zinc/39/03/06/945390306.db2.gz HRJCJLLQIMNKMG-WCQYABFASA-N -1 3 385.432 -0.110 20 0 GBADHM NC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001571259569 945390299 /nfs/dbraw/zinc/39/02/99/945390299.db2.gz HRJCJLLQIMNKMG-WCQYABFASA-N -1 3 385.432 -0.110 20 0 GBADHM COc1ccc(CN2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)cc1-c1nn[n-]n1 ZINC001571259570 945391376 /nfs/dbraw/zinc/39/13/76/945391376.db2.gz OVHHLVIMNGRDJS-GFCCVEGCSA-N -1 3 385.428 -0.298 20 0 GBADHM COc1ccc(CN2CC(NC(=O)[C@@H]3CCC(=O)NC3)C2)cc1-c1nnn[n-]1 ZINC001571259570 945391370 /nfs/dbraw/zinc/39/13/70/945391370.db2.gz OVHHLVIMNGRDJS-GFCCVEGCSA-N -1 3 385.428 -0.298 20 0 GBADHM CCCn1nnnc1CN(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571259571 945390640 /nfs/dbraw/zinc/39/06/40/945390640.db2.gz HXFXTEWOIIAIRT-GFCCVEGCSA-N -1 3 385.436 -0.062 20 0 GBADHM CCCn1nnnc1CN(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571259571 945390636 /nfs/dbraw/zinc/39/06/36/945390636.db2.gz HXFXTEWOIIAIRT-GFCCVEGCSA-N -1 3 385.436 -0.062 20 0 GBADHM COc1ccc(CN2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)cc1-c1nn[n-]n1 ZINC001571259572 945391906 /nfs/dbraw/zinc/39/19/06/945391906.db2.gz OVHHLVIMNGRDJS-LBPRGKRZSA-N -1 3 385.428 -0.298 20 0 GBADHM COc1ccc(CN2CC(NC(=O)[C@H]3CCC(=O)NC3)C2)cc1-c1nnn[n-]1 ZINC001571259572 945391896 /nfs/dbraw/zinc/39/18/96/945391896.db2.gz OVHHLVIMNGRDJS-LBPRGKRZSA-N -1 3 385.428 -0.298 20 0 GBADHM CCCn1nnnc1CN(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571259573 945391302 /nfs/dbraw/zinc/39/13/02/945391302.db2.gz HXFXTEWOIIAIRT-LBPRGKRZSA-N -1 3 385.436 -0.062 20 0 GBADHM CCCn1nnnc1CN(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571259573 945391289 /nfs/dbraw/zinc/39/12/89/945391289.db2.gz HXFXTEWOIIAIRT-LBPRGKRZSA-N -1 3 385.436 -0.062 20 0 GBADHM COc1ccc(CN2CC(N(C)C(=O)[C@@H]3CCC(=O)N3)C2)cc1-c1nn[n-]n1 ZINC001571259583 945391198 /nfs/dbraw/zinc/39/11/98/945391198.db2.gz OWZKFEYHUKNWPT-AWEZNQCLSA-N -1 3 385.428 -0.204 20 0 GBADHM COc1ccc(CN2CC(N(C)C(=O)[C@@H]3CCC(=O)N3)C2)cc1-c1nnn[n-]1 ZINC001571259583 945391190 /nfs/dbraw/zinc/39/11/90/945391190.db2.gz OWZKFEYHUKNWPT-AWEZNQCLSA-N -1 3 385.428 -0.204 20 0 GBADHM C[C@H](c1nnnn1C)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571259665 945393587 /nfs/dbraw/zinc/39/35/87/945393587.db2.gz JAHCFVJGFJDAIT-GHMZBOCLSA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@H](c1nnnn1C)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571259665 945393579 /nfs/dbraw/zinc/39/35/79/945393579.db2.gz JAHCFVJGFJDAIT-GHMZBOCLSA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@H](c1nnnn1C)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571259666 945394369 /nfs/dbraw/zinc/39/43/69/945394369.db2.gz JAHCFVJGFJDAIT-MNOVXSKESA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@H](c1nnnn1C)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571259666 945394358 /nfs/dbraw/zinc/39/43/58/945394358.db2.gz JAHCFVJGFJDAIT-MNOVXSKESA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@@H](c1nnnn1C)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571259667 945394907 /nfs/dbraw/zinc/39/49/07/945394907.db2.gz JAHCFVJGFJDAIT-QWRGUYRKSA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@@H](c1nnnn1C)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571259667 945394898 /nfs/dbraw/zinc/39/48/98/945394898.db2.gz JAHCFVJGFJDAIT-QWRGUYRKSA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@@H](c1nnnn1C)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571259668 945392775 /nfs/dbraw/zinc/39/27/75/945392775.db2.gz JAHCFVJGFJDAIT-WDEREUQCSA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@@H](c1nnnn1C)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571259668 945392768 /nfs/dbraw/zinc/39/27/68/945392768.db2.gz JAHCFVJGFJDAIT-WDEREUQCSA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571259693 945397884 /nfs/dbraw/zinc/39/78/84/945397884.db2.gz JXKUGNCDWZHZEU-GWCFXTLKSA-N -1 3 385.432 -0.336 20 0 GBADHM C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571259693 945397878 /nfs/dbraw/zinc/39/78/78/945397878.db2.gz JXKUGNCDWZHZEU-GWCFXTLKSA-N -1 3 385.432 -0.336 20 0 GBADHM C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571259694 945397139 /nfs/dbraw/zinc/39/71/39/945397139.db2.gz JXKUGNCDWZHZEU-GXFFZTMASA-N -1 3 385.432 -0.336 20 0 GBADHM C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571259694 945397133 /nfs/dbraw/zinc/39/71/33/945397133.db2.gz JXKUGNCDWZHZEU-GXFFZTMASA-N -1 3 385.432 -0.336 20 0 GBADHM CN(Cc1nnn(C)n1)C[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571259712 945397386 /nfs/dbraw/zinc/39/73/86/945397386.db2.gz KLDMVGSZHUWHQK-GFCCVEGCSA-N -1 3 385.436 -0.155 20 0 GBADHM CN(Cc1nnn(C)n1)C[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571259712 945397376 /nfs/dbraw/zinc/39/73/76/945397376.db2.gz KLDMVGSZHUWHQK-GFCCVEGCSA-N -1 3 385.436 -0.155 20 0 GBADHM O=C(CN1CCCNC1=O)NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571259713 945397188 /nfs/dbraw/zinc/39/71/88/945397188.db2.gz KLKDWKZUOAEEID-UHFFFAOYSA-N -1 3 385.432 -0.238 20 0 GBADHM O=C(CN1CCCNC1=O)NC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571259713 945397171 /nfs/dbraw/zinc/39/71/71/945397171.db2.gz KLKDWKZUOAEEID-UHFFFAOYSA-N -1 3 385.432 -0.238 20 0 GBADHM CC(C)n1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001571259715 945397907 /nfs/dbraw/zinc/39/79/07/945397907.db2.gz PODNJCSGOKSVHX-HUUCEWRRSA-N -1 3 385.432 -0.053 20 0 GBADHM CC(C)n1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001571259715 945397904 /nfs/dbraw/zinc/39/79/04/945397904.db2.gz PODNJCSGOKSVHX-HUUCEWRRSA-N -1 3 385.432 -0.053 20 0 GBADHM C[C@@]1(CNC(=O)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)CCC(=O)N1 ZINC001571259717 945397237 /nfs/dbraw/zinc/39/72/37/945397237.db2.gz POYYSGCIPUPUNC-KRWDZBQOSA-N -1 3 385.432 -0.238 20 0 GBADHM C[C@@]1(CNC(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)CCC(=O)N1 ZINC001571259717 945397226 /nfs/dbraw/zinc/39/72/26/945397226.db2.gz POYYSGCIPUPUNC-KRWDZBQOSA-N -1 3 385.432 -0.238 20 0 GBADHM C[C@]1(CNC(=O)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)CCC(=O)N1 ZINC001571259718 945396616 /nfs/dbraw/zinc/39/66/16/945396616.db2.gz POYYSGCIPUPUNC-QGZVFWFLSA-N -1 3 385.432 -0.238 20 0 GBADHM C[C@]1(CNC(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)CCC(=O)N1 ZINC001571259718 945396604 /nfs/dbraw/zinc/39/66/04/945396604.db2.gz POYYSGCIPUPUNC-QGZVFWFLSA-N -1 3 385.432 -0.238 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN2Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC001571259726 945397596 /nfs/dbraw/zinc/39/75/96/945397596.db2.gz PWMQJNQGHYLHLX-QLFBSQMISA-N -1 3 385.428 -0.410 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN2Cc2cccc(-c3nn[n-]n3)c2)O1 ZINC001571259727 945397847 /nfs/dbraw/zinc/39/78/47/945397847.db2.gz PWMQJNQGHYLHLX-SOUVJXGZSA-N -1 3 385.428 -0.410 20 0 GBADHM C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571259770 945399207 /nfs/dbraw/zinc/39/92/07/945399207.db2.gz QTDVHVYMZGFSGV-VEPFAGFCSA-N -1 3 385.428 -0.089 20 0 GBADHM C[C@@H]1CN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571259770 945399203 /nfs/dbraw/zinc/39/92/03/945399203.db2.gz QTDVHVYMZGFSGV-VEPFAGFCSA-N -1 3 385.428 -0.089 20 0 GBADHM COc1ccc(-c2nn[n-]n2)cc1CN1CCN(C(=O)[C@@H]2CCC(=O)N2)CC1 ZINC001571259773 945398578 /nfs/dbraw/zinc/39/85/78/945398578.db2.gz QVJSMWTWQKCKQY-AWEZNQCLSA-N -1 3 385.428 -0.202 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCN(Cc2nnn(C)n2)C1 ZINC001571259832 945399852 /nfs/dbraw/zinc/39/98/52/945399852.db2.gz LBVZKDMDHHPAMB-GHMZBOCLSA-N -1 3 385.436 -0.251 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCN(Cc2nnn(C)n2)C1 ZINC001571259832 945399842 /nfs/dbraw/zinc/39/98/42/945399842.db2.gz LBVZKDMDHHPAMB-GHMZBOCLSA-N -1 3 385.436 -0.251 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCN(Cc2nnn(C)n2)C1 ZINC001571259833 945398513 /nfs/dbraw/zinc/39/85/13/945398513.db2.gz LBVZKDMDHHPAMB-MNOVXSKESA-N -1 3 385.436 -0.251 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCN(Cc2nnn(C)n2)C1 ZINC001571259833 945398504 /nfs/dbraw/zinc/39/85/04/945398504.db2.gz LBVZKDMDHHPAMB-MNOVXSKESA-N -1 3 385.436 -0.251 20 0 GBADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCN(Cc2nnn(C)n2)C1 ZINC001571259834 945400856 /nfs/dbraw/zinc/40/08/56/945400856.db2.gz LBVZKDMDHHPAMB-QWRGUYRKSA-N -1 3 385.436 -0.251 20 0 GBADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCN(Cc2nnn(C)n2)C1 ZINC001571259834 945400851 /nfs/dbraw/zinc/40/08/51/945400851.db2.gz LBVZKDMDHHPAMB-QWRGUYRKSA-N -1 3 385.436 -0.251 20 0 GBADHM C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCN(Cc2nnn(C)n2)C1 ZINC001571259835 945402072 /nfs/dbraw/zinc/40/20/72/945402072.db2.gz LBVZKDMDHHPAMB-WDEREUQCSA-N -1 3 385.436 -0.251 20 0 GBADHM C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCN(Cc2nnn(C)n2)C1 ZINC001571259835 945402064 /nfs/dbraw/zinc/40/20/64/945402064.db2.gz LBVZKDMDHHPAMB-WDEREUQCSA-N -1 3 385.436 -0.251 20 0 GBADHM CCCn1nnnc1CN1CC[C@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571259845 945400914 /nfs/dbraw/zinc/40/09/14/945400914.db2.gz LKJKPMNULZESDB-INIZCTEOSA-N -1 3 385.436 -0.014 20 0 GBADHM CCCn1nnnc1CN1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571259845 945400911 /nfs/dbraw/zinc/40/09/11/945400911.db2.gz LKJKPMNULZESDB-INIZCTEOSA-N -1 3 385.436 -0.014 20 0 GBADHM CCCn1nnnc1CN1CC[C@@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571259846 945401551 /nfs/dbraw/zinc/40/15/51/945401551.db2.gz LKJKPMNULZESDB-MRXNPFEDSA-N -1 3 385.436 -0.014 20 0 GBADHM CCCn1nnnc1CN1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571259846 945401541 /nfs/dbraw/zinc/40/15/41/945401541.db2.gz LKJKPMNULZESDB-MRXNPFEDSA-N -1 3 385.436 -0.014 20 0 GBADHM CN(Cc1nnn(C)n1)C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571259855 945401523 /nfs/dbraw/zinc/40/15/23/945401523.db2.gz LPHDAQZRIACJJQ-LLVKDONJSA-N -1 3 385.436 -0.298 20 0 GBADHM CN(Cc1nnn(C)n1)C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571259855 945401520 /nfs/dbraw/zinc/40/15/20/945401520.db2.gz LPHDAQZRIACJJQ-LLVKDONJSA-N -1 3 385.436 -0.298 20 0 GBADHM CN(Cc1nnn(C)n1)C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571259856 945402196 /nfs/dbraw/zinc/40/21/96/945402196.db2.gz LPHDAQZRIACJJQ-NSHDSACASA-N -1 3 385.436 -0.298 20 0 GBADHM CN(Cc1nnn(C)n1)C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571259856 945402193 /nfs/dbraw/zinc/40/21/93/945402193.db2.gz LPHDAQZRIACJJQ-NSHDSACASA-N -1 3 385.436 -0.298 20 0 GBADHM Cc1nc(N[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571259864 945400897 /nfs/dbraw/zinc/40/08/97/945400897.db2.gz LWNKLMBEOWXDFM-LBPRGKRZSA-N -1 3 385.432 -0.985 20 0 GBADHM Cc1nc(N[C@H]2CCN(C(=O)CN3CCNC(=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571259864 945400891 /nfs/dbraw/zinc/40/08/91/945400891.db2.gz LWNKLMBEOWXDFM-LBPRGKRZSA-N -1 3 385.432 -0.985 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571259876 945400958 /nfs/dbraw/zinc/40/09/58/945400958.db2.gz MFTFDFYSDHXHNE-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571259876 945400952 /nfs/dbraw/zinc/40/09/52/945400952.db2.gz MFTFDFYSDHXHNE-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC001571259878 945402314 /nfs/dbraw/zinc/40/23/14/945402314.db2.gz MGJCJSCRCUIKTO-AAEUAGOBSA-N -1 3 385.432 -0.321 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)[C@@H]3CN(C)C(=O)N3)C2)n1 ZINC001571259878 945402308 /nfs/dbraw/zinc/40/23/08/945402308.db2.gz MGJCJSCRCUIKTO-AAEUAGOBSA-N -1 3 385.432 -0.321 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC001571259879 945401514 /nfs/dbraw/zinc/40/15/14/945401514.db2.gz MGJCJSCRCUIKTO-WCQYABFASA-N -1 3 385.432 -0.321 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)[C@H]3CN(C)C(=O)N3)C2)n1 ZINC001571259879 945401511 /nfs/dbraw/zinc/40/15/11/945401511.db2.gz MGJCJSCRCUIKTO-WCQYABFASA-N -1 3 385.432 -0.321 20 0 GBADHM CN(Cc1nnnn1C)C[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571259888 945401490 /nfs/dbraw/zinc/40/14/90/945401490.db2.gz MLFDTFFEHUFMKZ-LLVKDONJSA-N -1 3 385.436 -0.298 20 0 GBADHM CN(Cc1nnnn1C)C[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571259888 945401479 /nfs/dbraw/zinc/40/14/79/945401479.db2.gz MLFDTFFEHUFMKZ-LLVKDONJSA-N -1 3 385.436 -0.298 20 0 GBADHM CN(Cc1nnnn1C)C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571259889 945401862 /nfs/dbraw/zinc/40/18/62/945401862.db2.gz MLFDTFFEHUFMKZ-NSHDSACASA-N -1 3 385.436 -0.298 20 0 GBADHM CN(Cc1nnnn1C)C[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571259889 945401850 /nfs/dbraw/zinc/40/18/50/945401850.db2.gz MLFDTFFEHUFMKZ-NSHDSACASA-N -1 3 385.436 -0.298 20 0 GBADHM Cn1ccnc1CN1CCCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571259890 945401897 /nfs/dbraw/zinc/40/18/97/945401897.db2.gz MLJKZJARLJCTAH-GFCCVEGCSA-N -1 3 385.432 -0.051 20 0 GBADHM Cn1ccnc1CN1CCCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571259890 945401886 /nfs/dbraw/zinc/40/18/86/945401886.db2.gz MLJKZJARLJCTAH-GFCCVEGCSA-N -1 3 385.432 -0.051 20 0 GBADHM Cn1ccnc1CN1CCCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571259891 945401742 /nfs/dbraw/zinc/40/17/42/945401742.db2.gz MLJKZJARLJCTAH-LBPRGKRZSA-N -1 3 385.432 -0.051 20 0 GBADHM Cn1ccnc1CN1CCCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571259891 945401735 /nfs/dbraw/zinc/40/17/35/945401735.db2.gz MLJKZJARLJCTAH-LBPRGKRZSA-N -1 3 385.432 -0.051 20 0 GBADHM CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571259894 945402126 /nfs/dbraw/zinc/40/21/26/945402126.db2.gz MNHJLECHBWHGNU-CYBMUJFWSA-N -1 3 385.432 -0.288 20 0 GBADHM CN(C(=O)[C@H]1CN(C)C(=O)N1)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571259894 945402119 /nfs/dbraw/zinc/40/21/19/945402119.db2.gz MNHJLECHBWHGNU-CYBMUJFWSA-N -1 3 385.432 -0.288 20 0 GBADHM CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571259895 945401353 /nfs/dbraw/zinc/40/13/53/945401353.db2.gz MNHJLECHBWHGNU-ZDUSSCGKSA-N -1 3 385.432 -0.288 20 0 GBADHM CN(C(=O)[C@@H]1CN(C)C(=O)N1)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571259895 945401346 /nfs/dbraw/zinc/40/13/46/945401346.db2.gz MNHJLECHBWHGNU-ZDUSSCGKSA-N -1 3 385.432 -0.288 20 0 GBADHM NC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571259909 945402017 /nfs/dbraw/zinc/40/20/17/945402017.db2.gz MXPUZVVPGPTTCY-FZMZJTMJSA-N -1 3 385.432 -0.253 20 0 GBADHM NC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571259909 945402014 /nfs/dbraw/zinc/40/20/14/945402014.db2.gz MXPUZVVPGPTTCY-FZMZJTMJSA-N -1 3 385.432 -0.253 20 0 GBADHM NC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571259910 945402231 /nfs/dbraw/zinc/40/22/31/945402231.db2.gz MXPUZVVPGPTTCY-RISCZKNCSA-N -1 3 385.432 -0.253 20 0 GBADHM NC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571259910 945402226 /nfs/dbraw/zinc/40/22/26/945402226.db2.gz MXPUZVVPGPTTCY-RISCZKNCSA-N -1 3 385.432 -0.253 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571259940 945404099 /nfs/dbraw/zinc/40/40/99/945404099.db2.gz SIVUFHDDYAUTSL-DTIWESFOSA-N -1 3 385.428 -0.068 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571259940 945404093 /nfs/dbraw/zinc/40/40/93/945404093.db2.gz SIVUFHDDYAUTSL-DTIWESFOSA-N -1 3 385.428 -0.068 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571259949 945404403 /nfs/dbraw/zinc/40/44/03/945404403.db2.gz SOLILHGLGDDDLZ-ZHMBSYLPSA-N -1 3 385.428 -0.258 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001571259949 945404394 /nfs/dbraw/zinc/40/43/94/945404394.db2.gz SOLILHGLGDDDLZ-ZHMBSYLPSA-N -1 3 385.428 -0.258 20 0 GBADHM O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571259975 945403669 /nfs/dbraw/zinc/40/36/69/945403669.db2.gz UNENEGTZIZBILV-UOVKNHIHSA-N -1 3 385.428 -0.068 20 0 GBADHM O=C(C[C@@H]1C[C@H]1C1CC1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571259975 945403667 /nfs/dbraw/zinc/40/36/67/945403667.db2.gz UNENEGTZIZBILV-UOVKNHIHSA-N -1 3 385.428 -0.068 20 0 GBADHM Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)ccc1-c1nn[n-]n1 ZINC001571259988 945403214 /nfs/dbraw/zinc/40/32/14/945403214.db2.gz VBZBEIYXGLCUNW-GZENYHORSA-N -1 3 385.428 -0.197 20 0 GBADHM Cc1nc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)ccc1-c1nnn[n-]1 ZINC001571259988 945403211 /nfs/dbraw/zinc/40/32/11/945403211.db2.gz VBZBEIYXGLCUNW-GZENYHORSA-N -1 3 385.428 -0.197 20 0 GBADHM O=C(CC1(O)CCC1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001571259999 945405759 /nfs/dbraw/zinc/40/57/59/945405759.db2.gz VICMQYOMYQHGMA-XYYAHUGASA-N -1 3 385.428 -0.066 20 0 GBADHM O=C(CC1(O)CCC1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001571259999 945405754 /nfs/dbraw/zinc/40/57/54/945405754.db2.gz VICMQYOMYQHGMA-XYYAHUGASA-N -1 3 385.428 -0.066 20 0 GBADHM O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1[C@@H]2CC[C@H]1CN(CCN1CCNC1=O)C2 ZINC001571260016 945405992 /nfs/dbraw/zinc/40/59/92/945405992.db2.gz NATYORIVPSOWLG-BETUJISGSA-N 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ZINC001571260437 945414402 /nfs/dbraw/zinc/41/44/02/945414402.db2.gz STKSXAHEIUNPAY-WCQYABFASA-N -1 3 385.432 -0.016 20 0 GBADHM O=C([C@@H]1CNC(=O)N1)N1CCC[C@H](CCNc2ncccc2-c2nn[n-]n2)C1 ZINC001571260438 945416441 /nfs/dbraw/zinc/41/64/41/945416441.db2.gz STKSXAHEIUNPAY-YPMHNXCESA-N -1 3 385.432 -0.016 20 0 GBADHM O=C([C@@H]1CNC(=O)N1)N1CCC[C@H](CCNc2ncccc2-c2nnn[n-]2)C1 ZINC001571260438 945416437 /nfs/dbraw/zinc/41/64/37/945416437.db2.gz STKSXAHEIUNPAY-YPMHNXCESA-N -1 3 385.432 -0.016 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001571260471 945416543 /nfs/dbraw/zinc/41/65/43/945416543.db2.gz UIUQHKAJOWPDHX-AAEUAGOBSA-N -1 3 385.432 -0.273 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001571260471 945416540 /nfs/dbraw/zinc/41/65/40/945416540.db2.gz UIUQHKAJOWPDHX-AAEUAGOBSA-N -1 3 385.432 -0.273 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001571260472 945415684 /nfs/dbraw/zinc/41/56/84/945415684.db2.gz UIUQHKAJOWPDHX-DGCLKSJQSA-N -1 3 385.432 -0.273 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001571260472 945415675 /nfs/dbraw/zinc/41/56/75/945415675.db2.gz UIUQHKAJOWPDHX-DGCLKSJQSA-N -1 3 385.432 -0.273 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001571260473 945416605 /nfs/dbraw/zinc/41/66/05/945416605.db2.gz UIUQHKAJOWPDHX-WCQYABFASA-N -1 3 385.432 -0.273 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001571260473 945416602 /nfs/dbraw/zinc/41/66/02/945416602.db2.gz UIUQHKAJOWPDHX-WCQYABFASA-N -1 3 385.432 -0.273 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001571260474 945415715 /nfs/dbraw/zinc/41/57/15/945415715.db2.gz UIUQHKAJOWPDHX-YPMHNXCESA-N -1 3 385.432 -0.273 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCCC[C@@H]2CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001571260474 945415710 /nfs/dbraw/zinc/41/57/10/945415710.db2.gz UIUQHKAJOWPDHX-YPMHNXCESA-N -1 3 385.432 -0.273 20 0 GBADHM CO[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571260475 945416418 /nfs/dbraw/zinc/41/64/18/945416418.db2.gz UKIPXCNWRLTJLT-HUUCEWRRSA-N -1 3 385.432 -0.134 20 0 GBADHM CO[C@@H]1CN(Cc2cn(C)nc2C)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571260475 945416417 /nfs/dbraw/zinc/41/64/17/945416417.db2.gz UKIPXCNWRLTJLT-HUUCEWRRSA-N -1 3 385.432 -0.134 20 0 GBADHM Cc1nc(NC[C@@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)ccc1-c1nn[n-]n1 ZINC001571260491 945416701 /nfs/dbraw/zinc/41/67/01/945416701.db2.gz UUYZBDWSIYAYLU-AAEUAGOBSA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1nc(NC[C@@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)ccc1-c1nnn[n-]1 ZINC001571260491 945416697 /nfs/dbraw/zinc/41/66/97/945416697.db2.gz UUYZBDWSIYAYLU-AAEUAGOBSA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)ccc1-c1nn[n-]n1 ZINC001571260492 945415869 /nfs/dbraw/zinc/41/58/69/945415869.db2.gz UUYZBDWSIYAYLU-DGCLKSJQSA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)ccc1-c1nnn[n-]1 ZINC001571260492 945415861 /nfs/dbraw/zinc/41/58/61/945415861.db2.gz UUYZBDWSIYAYLU-DGCLKSJQSA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1nc(NC[C@@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)ccc1-c1nn[n-]n1 ZINC001571260493 945416211 /nfs/dbraw/zinc/41/62/11/945416211.db2.gz UUYZBDWSIYAYLU-WCQYABFASA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1nc(NC[C@@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)ccc1-c1nnn[n-]1 ZINC001571260493 945416206 /nfs/dbraw/zinc/41/62/06/945416206.db2.gz UUYZBDWSIYAYLU-WCQYABFASA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1nc(NC[C@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)ccc1-c1nn[n-]n1 ZINC001571260494 945416521 /nfs/dbraw/zinc/41/65/21/945416521.db2.gz UUYZBDWSIYAYLU-YPMHNXCESA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1nc(NC[C@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)ccc1-c1nnn[n-]1 ZINC001571260494 945416518 /nfs/dbraw/zinc/41/65/18/945416518.db2.gz UUYZBDWSIYAYLU-YPMHNXCESA-N -1 3 385.432 -0.003 20 0 GBADHM CN1CCN(CC(=O)N2CC[C@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)CC1=O ZINC001571260504 945415629 /nfs/dbraw/zinc/41/56/29/945415629.db2.gz UYOWTVPEBPAITA-ZDUSSCGKSA-N -1 3 385.432 -0.952 20 0 GBADHM CN1CCN(CC(=O)N2CC[C@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)CC1=O ZINC001571260504 945415619 /nfs/dbraw/zinc/41/56/19/945415619.db2.gz UYOWTVPEBPAITA-ZDUSSCGKSA-N -1 3 385.432 -0.952 20 0 GBADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001571260526 945418780 /nfs/dbraw/zinc/41/87/80/945418780.db2.gz VOSGUQFLLFEHDP-GYSYKLTISA-N -1 3 385.432 -0.526 20 0 GBADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1CNC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001571260526 945418777 /nfs/dbraw/zinc/41/87/77/945418777.db2.gz VOSGUQFLLFEHDP-GYSYKLTISA-N -1 3 385.432 -0.526 20 0 GBADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001571260527 945418464 /nfs/dbraw/zinc/41/84/64/945418464.db2.gz VOSGUQFLLFEHDP-JTNHKYCSSA-N -1 3 385.432 -0.526 20 0 GBADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1CNC(=O)[C@H]1CN(C)C(=O)N1 ZINC001571260527 945418462 /nfs/dbraw/zinc/41/84/62/945418462.db2.gz VOSGUQFLLFEHDP-JTNHKYCSSA-N -1 3 385.432 -0.526 20 0 GBADHM Cn1nnnc1CN1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001571260534 945418073 /nfs/dbraw/zinc/41/80/73/945418073.db2.gz VXJWOOLVVDVLND-GFCCVEGCSA-N -1 3 385.436 -0.251 20 0 GBADHM Cn1nnnc1CN1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001571260534 945418067 /nfs/dbraw/zinc/41/80/67/945418067.db2.gz VXJWOOLVVDVLND-GFCCVEGCSA-N -1 3 385.436 -0.251 20 0 GBADHM Cn1nnnc1CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001571260535 945417902 /nfs/dbraw/zinc/41/79/02/945417902.db2.gz VXJWOOLVVDVLND-LBPRGKRZSA-N -1 3 385.436 -0.251 20 0 GBADHM Cn1nnnc1CN1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001571260535 945417897 /nfs/dbraw/zinc/41/78/97/945417897.db2.gz VXJWOOLVVDVLND-LBPRGKRZSA-N -1 3 385.436 -0.251 20 0 GBADHM O=c1cc(CN2CC[NH+](C3CCOCC3)CC2)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571260547 945417936 /nfs/dbraw/zinc/41/79/36/945417936.db2.gz WFGIZDQKKYECDV-UHFFFAOYSA-N -1 3 385.432 -0.088 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001571260581 945418660 /nfs/dbraw/zinc/41/86/60/945418660.db2.gz WZJAGLPTHPRSED-AAEUAGOBSA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001571260581 945418655 /nfs/dbraw/zinc/41/86/55/945418655.db2.gz WZJAGLPTHPRSED-AAEUAGOBSA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001571260582 945417921 /nfs/dbraw/zinc/41/79/21/945417921.db2.gz WZJAGLPTHPRSED-DGCLKSJQSA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001571260582 945417915 /nfs/dbraw/zinc/41/79/15/945417915.db2.gz WZJAGLPTHPRSED-DGCLKSJQSA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001571260583 945418121 /nfs/dbraw/zinc/41/81/21/945418121.db2.gz WZJAGLPTHPRSED-WCQYABFASA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CCCN2C(=O)[C@H]2CN(C)C(=O)N2)n1 ZINC001571260583 945418117 /nfs/dbraw/zinc/41/81/17/945418117.db2.gz WZJAGLPTHPRSED-WCQYABFASA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001571260584 945417819 /nfs/dbraw/zinc/41/78/19/945417819.db2.gz WZJAGLPTHPRSED-YPMHNXCESA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCCN2C(=O)[C@@H]2CN(C)C(=O)N2)n1 ZINC001571260584 945417812 /nfs/dbraw/zinc/41/78/12/945417812.db2.gz WZJAGLPTHPRSED-YPMHNXCESA-N -1 3 385.432 -0.003 20 0 GBADHM Cc1nc(N2CC[C@H](NC(=O)CN3CCCNC3=O)C2)ccc1-c1nn[n-]n1 ZINC001571260586 945418234 /nfs/dbraw/zinc/41/82/34/945418234.db2.gz XBDRHJZTDYAMML-LBPRGKRZSA-N -1 3 385.432 -0.320 20 0 GBADHM Cc1nc(N2CC[C@H](NC(=O)CN3CCCNC3=O)C2)ccc1-c1nnn[n-]1 ZINC001571260586 945418229 /nfs/dbraw/zinc/41/82/29/945418229.db2.gz XBDRHJZTDYAMML-LBPRGKRZSA-N -1 3 385.432 -0.320 20 0 GBADHM Cc1nc(N2CCCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)ccc1-c1nn[n-]n1 ZINC001571260602 945420885 /nfs/dbraw/zinc/42/08/85/945420885.db2.gz XHQPMXJXFIRRAW-AAEUAGOBSA-N -1 3 385.432 -0.273 20 0 GBADHM Cc1nc(N2CCCC[C@H]2CNC(=O)[C@@H]2CNC(=O)N2)ccc1-c1nnn[n-]1 ZINC001571260602 945420879 /nfs/dbraw/zinc/42/08/79/945420879.db2.gz XHQPMXJXFIRRAW-AAEUAGOBSA-N -1 3 385.432 -0.273 20 0 GBADHM Cc1nc(N2CCCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)ccc1-c1nn[n-]n1 ZINC001571260603 945420131 /nfs/dbraw/zinc/42/01/31/945420131.db2.gz XHQPMXJXFIRRAW-DGCLKSJQSA-N -1 3 385.432 -0.273 20 0 GBADHM Cc1nc(N2CCCC[C@@H]2CNC(=O)[C@H]2CNC(=O)N2)ccc1-c1nnn[n-]1 ZINC001571260603 945420126 /nfs/dbraw/zinc/42/01/26/945420126.db2.gz XHQPMXJXFIRRAW-DGCLKSJQSA-N -1 3 385.432 -0.273 20 0 GBADHM Cc1nc(N2CCCC[C@H]2CNC(=O)[C@H]2CNC(=O)N2)ccc1-c1nn[n-]n1 ZINC001571260604 945420926 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CCc1ncoc1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001571266878 945555229 /nfs/dbraw/zinc/55/52/29/945555229.db2.gz AYYHBSUXAANNNT-VXGBXAGGSA-N -1 3 386.372 -0.640 20 0 GBADHM CCc1ncoc1C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001571266878 945555223 /nfs/dbraw/zinc/55/52/23/945555223.db2.gz AYYHBSUXAANNNT-VXGBXAGGSA-N -1 3 386.372 -0.640 20 0 GBADHM Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)o1 ZINC001571266880 945555816 /nfs/dbraw/zinc/55/58/16/945555816.db2.gz BASDCTNXXXBVGQ-CHWSQXEVSA-N -1 3 386.372 -0.965 20 0 GBADHM Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)o1 ZINC001571266880 945555807 /nfs/dbraw/zinc/55/58/07/945555807.db2.gz BASDCTNXXXBVGQ-CHWSQXEVSA-N -1 3 386.372 -0.965 20 0 GBADHM O=C(Cc1ccon1)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001571266895 945556639 /nfs/dbraw/zinc/55/66/39/945556639.db2.gz BLWQYFURGJKMJG-GWCFXTLKSA-N -1 3 386.372 -0.883 20 0 GBADHM O=C(Cc1ccon1)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001571266895 945556631 /nfs/dbraw/zinc/55/66/31/945556631.db2.gz BLWQYFURGJKMJG-GWCFXTLKSA-N -1 3 386.372 -0.883 20 0 GBADHM O=C(Cc1ccon1)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001571266896 945555787 /nfs/dbraw/zinc/55/57/87/945555787.db2.gz BLWQYFURGJKMJG-GXFFZTMASA-N -1 3 386.372 -0.883 20 0 GBADHM O=C(Cc1ccon1)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001571266896 945555781 /nfs/dbraw/zinc/55/57/81/945555781.db2.gz BLWQYFURGJKMJG-GXFFZTMASA-N -1 3 386.372 -0.883 20 0 GBADHM O=C(Cc1ccon1)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001571266897 945556337 /nfs/dbraw/zinc/55/63/37/945556337.db2.gz BLWQYFURGJKMJG-MFKMUULPSA-N -1 3 386.372 -0.883 20 0 GBADHM O=C(Cc1ccon1)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001571266897 945556327 /nfs/dbraw/zinc/55/63/27/945556327.db2.gz BLWQYFURGJKMJG-MFKMUULPSA-N -1 3 386.372 -0.883 20 0 GBADHM 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ZINC001571266977 945559090 /nfs/dbraw/zinc/55/90/90/945559090.db2.gz FCBCXZZQXJQHQP-OLZOCXBDSA-N -1 3 386.372 -0.965 20 0 GBADHM Cc1ncc(CC(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)o1 ZINC001571266977 945559086 /nfs/dbraw/zinc/55/90/86/945559086.db2.gz FCBCXZZQXJQHQP-OLZOCXBDSA-N -1 3 386.372 -0.965 20 0 GBADHM CCc1ocnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571266983 945559177 /nfs/dbraw/zinc/55/91/77/945559177.db2.gz FILYTOWQKSCCMV-GHMZBOCLSA-N -1 3 386.372 -0.640 20 0 GBADHM CCc1ocnc1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571266983 945559169 /nfs/dbraw/zinc/55/91/69/945559169.db2.gz FILYTOWQKSCCMV-GHMZBOCLSA-N -1 3 386.372 -0.640 20 0 GBADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)no1 ZINC001571266988 945559421 /nfs/dbraw/zinc/55/94/21/945559421.db2.gz FSDDOHAOZONCNQ-GWCFXTLKSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)no1 ZINC001571266988 945559411 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JBHKSYNOIYYBPY-VIFPVBQESA-N -1 3 386.372 -0.621 20 0 GBADHM CO[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NC(=O)c1cc(C)on1 ZINC001571267108 945560666 /nfs/dbraw/zinc/56/06/66/945560666.db2.gz JHUMPYKGTCJLDF-CHWSQXEVSA-N -1 3 386.372 -0.239 20 0 GBADHM CO[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NC(=O)c1cc(C)on1 ZINC001571267108 945560655 /nfs/dbraw/zinc/56/06/55/945560655.db2.gz JHUMPYKGTCJLDF-CHWSQXEVSA-N -1 3 386.372 -0.239 20 0 GBADHM COCc1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001571267126 945562414 /nfs/dbraw/zinc/56/24/14/945562414.db2.gz KDIKIWIMIOZNKC-SNVBAGLBSA-N -1 3 386.372 -0.026 20 0 GBADHM COCc1cc(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001571267126 945562406 /nfs/dbraw/zinc/56/24/06/945562406.db2.gz KDIKIWIMIOZNKC-SNVBAGLBSA-N -1 3 386.372 -0.026 20 0 GBADHM O=C(NC[C@H]1CN(C(=O)c2cnco2)CCCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571267165 945562980 /nfs/dbraw/zinc/56/29/80/945562980.db2.gz LIFBGHKLMGWEFY-JTQLQIEISA-N -1 3 386.372 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C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CN(C(=O)c2cocn2)CCO1 ZINC001571267168 945564075 /nfs/dbraw/zinc/56/40/75/945564075.db2.gz LJEAFPVOAPWGOV-RNCFNFMXSA-N -1 3 386.372 -0.158 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CN(C(=O)c2cocn2)CCO1 ZINC001571267168 945564065 /nfs/dbraw/zinc/56/40/65/945564065.db2.gz LJEAFPVOAPWGOV-RNCFNFMXSA-N -1 3 386.372 -0.158 20 0 GBADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CN(C(=O)c2cocn2)CCO1 ZINC001571267169 945563298 /nfs/dbraw/zinc/56/32/98/945563298.db2.gz LJEAFPVOAPWGOV-TVQRCGJNSA-N -1 3 386.372 -0.158 20 0 GBADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CN(C(=O)c2cocn2)CCO1 ZINC001571267169 945563291 /nfs/dbraw/zinc/56/32/91/945563291.db2.gz LJEAFPVOAPWGOV-TVQRCGJNSA-N -1 3 386.372 -0.158 20 0 GBADHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CN(C(=O)c2cocn2)CCO1 ZINC001571267170 945562466 /nfs/dbraw/zinc/56/24/66/945562466.db2.gz LJEAFPVOAPWGOV-ZANVPECISA-N -1 3 386.372 -0.158 20 0 GBADHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CN(C(=O)c2cocn2)CCO1 ZINC001571267170 945562458 /nfs/dbraw/zinc/56/24/58/945562458.db2.gz LJEAFPVOAPWGOV-ZANVPECISA-N -1 3 386.372 -0.158 20 0 GBADHM Cc1cc(OCC(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001571267178 945563453 /nfs/dbraw/zinc/56/34/53/945563453.db2.gz LUEWYZJRUFSOAI-SNVBAGLBSA-N -1 3 386.372 -0.099 20 0 GBADHM Cc1cc(OCC(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001571267178 945563449 /nfs/dbraw/zinc/56/34/49/945563449.db2.gz LUEWYZJRUFSOAI-SNVBAGLBSA-N -1 3 386.372 -0.099 20 0 GBADHM Cc1ncoc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001571267198 945562841 /nfs/dbraw/zinc/56/28/41/945562841.db2.gz METRRSASBPGEDS-CMPLNLGQSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1ncoc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001571267198 945562831 /nfs/dbraw/zinc/56/28/31/945562831.db2.gz METRRSASBPGEDS-CMPLNLGQSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1ncoc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001571267199 945563936 /nfs/dbraw/zinc/56/39/36/945563936.db2.gz METRRSASBPGEDS-JQWIXIFHSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1ncoc1C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001571267199 945563929 /nfs/dbraw/zinc/56/39/29/945563929.db2.gz METRRSASBPGEDS-JQWIXIFHSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1ncoc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001571267200 945565433 /nfs/dbraw/zinc/56/54/33/945565433.db2.gz METRRSASBPGEDS-PWSUYJOCSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1ncoc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001571267200 945565432 /nfs/dbraw/zinc/56/54/32/945565432.db2.gz METRRSASBPGEDS-PWSUYJOCSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1ncoc1C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001571267201 945565236 /nfs/dbraw/zinc/56/52/36/945565236.db2.gz METRRSASBPGEDS-ZYHUDNBSSA-N -1 3 386.372 -0.503 20 0 GBADHM 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Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)no1 ZINC001571267210 945564542 /nfs/dbraw/zinc/56/45/42/945564542.db2.gz MOUKLUSKZYWJCI-MFKMUULPSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)no1 ZINC001571267210 945564540 /nfs/dbraw/zinc/56/45/40/945564540.db2.gz MOUKLUSKZYWJCI-MFKMUULPSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@H](O)C2)no1 ZINC001571267211 945564735 /nfs/dbraw/zinc/56/47/35/945564735.db2.gz MOUKLUSKZYWJCI-ZWNOBZJWSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@H](O)C2)no1 ZINC001571267211 945564729 /nfs/dbraw/zinc/56/47/29/945564729.db2.gz MOUKLUSKZYWJCI-ZWNOBZJWSA-N -1 3 386.372 -0.503 20 0 GBADHM CN1C(=O)CC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001571267213 945565437 /nfs/dbraw/zinc/56/54/37/945565437.db2.gz MPNISTQUDKYRBG-HEQLZXTPSA-N -1 3 386.391 -0.428 20 0 GBADHM 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C[C@@H]1C[C@H](NC(=O)c2cc(=O)n(C)o2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571267312 945567563 /nfs/dbraw/zinc/56/75/63/945567563.db2.gz QBMCGRKDNJIGBI-SCZZXKLOSA-N -1 3 386.372 -0.481 20 0 GBADHM C[C@@H]1C[C@H](NC(=O)c2cc(=O)n(C)o2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571267312 945567558 /nfs/dbraw/zinc/56/75/58/945567558.db2.gz QBMCGRKDNJIGBI-SCZZXKLOSA-N -1 3 386.372 -0.481 20 0 GBADHM C[C@H]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571267313 945567033 /nfs/dbraw/zinc/56/70/33/945567033.db2.gz QBMCGRKDNJIGBI-WCBMZHEXSA-N -1 3 386.372 -0.481 20 0 GBADHM C[C@H]1C[C@@H](NC(=O)c2cc(=O)n(C)o2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571267313 945567025 /nfs/dbraw/zinc/56/70/25/945567025.db2.gz QBMCGRKDNJIGBI-WCBMZHEXSA-N -1 3 386.372 -0.481 20 0 GBADHM C[C@H]1C[C@H](NC(=O)c2cc(=O)n(C)o2)CN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571267314 945567269 /nfs/dbraw/zinc/56/72/69/945567269.db2.gz QBMCGRKDNJIGBI-WPRPVWTQSA-N -1 3 386.372 -0.481 20 0 GBADHM C[C@H]1C[C@H](NC(=O)c2cc(=O)n(C)o2)CN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571267314 945567259 /nfs/dbraw/zinc/56/72/59/945567259.db2.gz QBMCGRKDNJIGBI-WPRPVWTQSA-N -1 3 386.372 -0.481 20 0 GBADHM O=C(N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001571267322 945566358 /nfs/dbraw/zinc/56/63/58/945566358.db2.gz QOJPGJNODPSTAO-NEPJUHHUSA-N -1 3 386.347 -0.519 20 0 GBADHM O=C(N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O)c1cccc(=O)[nH]1 ZINC001571267322 945566352 /nfs/dbraw/zinc/56/63/52/945566352.db2.gz QOJPGJNODPSTAO-NEPJUHHUSA-N -1 3 386.347 -0.519 20 0 GBADHM O=C(N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001571267323 945567921 /nfs/dbraw/zinc/56/79/21/945567921.db2.gz QOJPGJNODPSTAO-VXGBXAGGSA-N -1 3 386.347 -0.519 20 0 GBADHM O=C(N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O)c1cccc(=O)[nH]1 ZINC001571267323 945567917 /nfs/dbraw/zinc/56/79/17/945567917.db2.gz QOJPGJNODPSTAO-VXGBXAGGSA-N -1 3 386.347 -0.519 20 0 GBADHM COCc1nocc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571267335 945567853 /nfs/dbraw/zinc/56/78/53/945567853.db2.gz QWFLVIFDDRDKPN-SECBINFHSA-N -1 3 386.372 -0.026 20 0 GBADHM COCc1nocc1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571267335 945567849 /nfs/dbraw/zinc/56/78/49/945567849.db2.gz QWFLVIFDDRDKPN-SECBINFHSA-N -1 3 386.372 -0.026 20 0 GBADHM COCc1nocc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571267336 945567204 /nfs/dbraw/zinc/56/72/04/945567204.db2.gz QWFLVIFDDRDKPN-VIFPVBQESA-N -1 3 386.372 -0.026 20 0 GBADHM COCc1nocc1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571267336 945567197 /nfs/dbraw/zinc/56/71/97/945567197.db2.gz QWFLVIFDDRDKPN-VIFPVBQESA-N -1 3 386.372 -0.026 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ncccc2F)C[C@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571267356 945567688 /nfs/dbraw/zinc/56/76/88/945567688.db2.gz RQMNRVSGPPNHBY-VXGBXAGGSA-N -1 3 386.347 -0.656 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ncccc2F)C[C@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571267356 945567678 /nfs/dbraw/zinc/56/76/78/945567678.db2.gz RQMNRVSGPPNHBY-VXGBXAGGSA-N -1 3 386.347 -0.656 20 0 GBADHM Cn1oc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)cc1=O ZINC001571267391 945568592 /nfs/dbraw/zinc/56/85/92/945568592.db2.gz SVWUUIVZADZDOA-WAAGHKOSSA-N -1 3 386.372 -0.575 20 0 GBADHM Cn1oc(C(=O)N[C@H]2C[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)cc1=O ZINC001571267391 945568581 /nfs/dbraw/zinc/56/85/81/945568581.db2.gz SVWUUIVZADZDOA-WAAGHKOSSA-N -1 3 386.372 -0.575 20 0 GBADHM Cc1cc(OCC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571267393 945569199 /nfs/dbraw/zinc/56/91/99/945569199.db2.gz SZZDUHXVPKZWGH-LLVKDONJSA-N -1 3 386.372 -0.099 20 0 GBADHM Cc1cc(OCC(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571267393 945569196 /nfs/dbraw/zinc/56/91/96/945569196.db2.gz SZZDUHXVPKZWGH-LLVKDONJSA-N -1 3 386.372 -0.099 20 0 GBADHM Cc1cc(OCC(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001571267394 945569821 /nfs/dbraw/zinc/56/98/21/945569821.db2.gz SZZDUHXVPKZWGH-NSHDSACASA-N -1 3 386.372 -0.099 20 0 GBADHM Cc1cc(OCC(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001571267394 945569814 /nfs/dbraw/zinc/56/98/14/945569814.db2.gz SZZDUHXVPKZWGH-NSHDSACASA-N -1 3 386.372 -0.099 20 0 GBADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)on1 ZINC001571267405 945568961 /nfs/dbraw/zinc/56/89/61/945568961.db2.gz UFMPYAHXWUWYKY-CMPLNLGQSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)on1 ZINC001571267405 945568959 /nfs/dbraw/zinc/56/89/59/945568959.db2.gz UFMPYAHXWUWYKY-CMPLNLGQSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)on1 ZINC001571267406 945569374 /nfs/dbraw/zinc/56/93/74/945569374.db2.gz UFMPYAHXWUWYKY-JQWIXIFHSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1cc(C(=O)N[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)on1 ZINC001571267406 945569369 /nfs/dbraw/zinc/56/93/69/945569369.db2.gz UFMPYAHXWUWYKY-JQWIXIFHSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)on1 ZINC001571267407 945569297 /nfs/dbraw/zinc/56/92/97/945569297.db2.gz UFMPYAHXWUWYKY-PWSUYJOCSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)on1 ZINC001571267407 945569292 /nfs/dbraw/zinc/56/92/92/945569292.db2.gz UFMPYAHXWUWYKY-PWSUYJOCSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]2O)on1 ZINC001571267408 945569591 /nfs/dbraw/zinc/56/95/91/945569591.db2.gz UFMPYAHXWUWYKY-ZYHUDNBSSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]2O)on1 ZINC001571267408 945569583 /nfs/dbraw/zinc/56/95/83/945569583.db2.gz UFMPYAHXWUWYKY-ZYHUDNBSSA-N -1 3 386.372 -0.503 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)c1oncc1C ZINC001571267492 945570772 /nfs/dbraw/zinc/57/07/72/945570772.db2.gz WYDDOWBMFJMXKV-VXGBXAGGSA-N -1 3 386.372 -0.239 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)c1oncc1C ZINC001571267492 945570766 /nfs/dbraw/zinc/57/07/66/945570766.db2.gz WYDDOWBMFJMXKV-VXGBXAGGSA-N -1 3 386.372 -0.239 20 0 GBADHM NC(=O)Cn1cc(NC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)ccc1=O ZINC001571267502 945570652 /nfs/dbraw/zinc/57/06/52/945570652.db2.gz XKINCHJFYNZDAY-UHFFFAOYSA-N -1 3 386.347 -0.026 20 0 GBADHM NC(=O)Cn1cc(NC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)ccc1=O ZINC001571267502 945570645 /nfs/dbraw/zinc/57/06/45/945570645.db2.gz XKINCHJFYNZDAY-UHFFFAOYSA-N -1 3 386.347 -0.026 20 0 GBADHM Cc1nc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)co1 ZINC001571267503 945571097 /nfs/dbraw/zinc/57/10/97/945571097.db2.gz XLKCGVXGROKOQY-GWCFXTLKSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1nc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)co1 ZINC001571267503 945571089 /nfs/dbraw/zinc/57/10/89/945571089.db2.gz XLKCGVXGROKOQY-GWCFXTLKSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1nc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)co1 ZINC001571267504 945570914 /nfs/dbraw/zinc/57/09/14/945570914.db2.gz XLKCGVXGROKOQY-GXFFZTMASA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1nc(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)co1 ZINC001571267504 945570909 /nfs/dbraw/zinc/57/09/09/945570909.db2.gz XLKCGVXGROKOQY-GXFFZTMASA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1nc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2O)co1 ZINC001571267505 945571416 /nfs/dbraw/zinc/57/14/16/945571416.db2.gz XLKCGVXGROKOQY-MFKMUULPSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1nc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2O)co1 ZINC001571267505 945571412 /nfs/dbraw/zinc/57/14/12/945571412.db2.gz XLKCGVXGROKOQY-MFKMUULPSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1nc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2O)co1 ZINC001571267506 945571595 /nfs/dbraw/zinc/57/15/95/945571595.db2.gz XLKCGVXGROKOQY-ZWNOBZJWSA-N -1 3 386.372 -0.503 20 0 GBADHM Cc1nc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2O)co1 ZINC001571267506 945571587 /nfs/dbraw/zinc/57/15/87/945571587.db2.gz XLKCGVXGROKOQY-ZWNOBZJWSA-N -1 3 386.372 -0.503 20 0 GBADHM COCc1nocc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571267523 945573947 /nfs/dbraw/zinc/57/39/47/945573947.db2.gz XYBXAQSDWJAFGF-JTQLQIEISA-N -1 3 386.372 -0.026 20 0 GBADHM COCc1nocc1C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571267523 945573942 /nfs/dbraw/zinc/57/39/42/945573942.db2.gz XYBXAQSDWJAFGF-JTQLQIEISA-N -1 3 386.372 -0.026 20 0 GBADHM COCc1nocc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571267524 945572778 /nfs/dbraw/zinc/57/27/78/945572778.db2.gz XYBXAQSDWJAFGF-SNVBAGLBSA-N -1 3 386.372 -0.026 20 0 GBADHM COCc1nocc1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571267524 945572773 /nfs/dbraw/zinc/57/27/73/945572773.db2.gz XYBXAQSDWJAFGF-SNVBAGLBSA-N -1 3 386.372 -0.026 20 0 GBADHM Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)c(C)o1 ZINC001571267535 945573928 /nfs/dbraw/zinc/57/39/28/945573928.db2.gz YGCWKTIJBXZDLL-VXGBXAGGSA-N -1 3 386.372 -0.585 20 0 GBADHM Cc1nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)c(C)o1 ZINC001571267535 945573924 /nfs/dbraw/zinc/57/39/24/945573924.db2.gz YGCWKTIJBXZDLL-VXGBXAGGSA-N -1 3 386.372 -0.585 20 0 GBADHM COCc1nocc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571267540 945573476 /nfs/dbraw/zinc/57/34/76/945573476.db2.gz YIARESJLSXGRRP-SNVBAGLBSA-N -1 3 386.372 -0.026 20 0 GBADHM COCc1nocc1C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571267540 945573468 /nfs/dbraw/zinc/57/34/68/945573468.db2.gz YIARESJLSXGRRP-SNVBAGLBSA-N -1 3 386.372 -0.026 20 0 GBADHM COCc1nocc1C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001571267577 945573696 /nfs/dbraw/zinc/57/36/96/945573696.db2.gz ZBUZSUKXTODFGW-DGCLKSJQSA-N -1 3 386.372 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C[C@@H]1CN(C(=O)[C@H]2CCC(=O)NC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571267847 945581862 /nfs/dbraw/zinc/58/18/62/945581862.db2.gz GQNXDRXUJJWMFW-GBIKHYSHSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571267848 945580643 /nfs/dbraw/zinc/58/06/43/945580643.db2.gz GQNXDRXUJJWMFW-GIPNMCIBSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)NC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571267848 945580637 /nfs/dbraw/zinc/58/06/37/945580637.db2.gz GQNXDRXUJJWMFW-GIPNMCIBSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001571267849 945582454 /nfs/dbraw/zinc/58/24/54/945582454.db2.gz GQOYHDKGXGQWBB-GXSJLCMTSA-N -1 3 386.416 -0.750 20 0 GBADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001571267849 945582449 /nfs/dbraw/zinc/58/24/49/945582449.db2.gz GQOYHDKGXGQWBB-GXSJLCMTSA-N -1 3 386.416 -0.750 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001571267850 945580915 /nfs/dbraw/zinc/58/09/15/945580915.db2.gz GQOYHDKGXGQWBB-KOLCDFICSA-N -1 3 386.416 -0.750 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001571267850 945580906 /nfs/dbraw/zinc/58/09/06/945580906.db2.gz GQOYHDKGXGQWBB-KOLCDFICSA-N -1 3 386.416 -0.750 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001571267851 945582340 /nfs/dbraw/zinc/58/23/40/945582340.db2.gz GQOYHDKGXGQWBB-MWLCHTKSSA-N -1 3 386.416 -0.750 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(C(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001571267851 945582337 /nfs/dbraw/zinc/58/23/37/945582337.db2.gz GQOYHDKGXGQWBB-MWLCHTKSSA-N -1 3 386.416 -0.750 20 0 GBADHM C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001571267852 945581979 /nfs/dbraw/zinc/58/19/79/945581979.db2.gz GQOYHDKGXGQWBB-ONGXEEELSA-N -1 3 386.416 -0.750 20 0 GBADHM C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001571267852 945581975 /nfs/dbraw/zinc/58/19/75/945581975.db2.gz GQOYHDKGXGQWBB-ONGXEEELSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571267853 945581915 /nfs/dbraw/zinc/58/19/15/945581915.db2.gz GRMXKNFVVJGAAE-BXUZGUMPSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571267853 945581907 /nfs/dbraw/zinc/58/19/07/945581907.db2.gz GRMXKNFVVJGAAE-BXUZGUMPSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571267854 945582117 /nfs/dbraw/zinc/58/21/17/945582117.db2.gz GRMXKNFVVJGAAE-SMDDNHRTSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571267854 945582111 /nfs/dbraw/zinc/58/21/11/945582111.db2.gz GRMXKNFVVJGAAE-SMDDNHRTSA-N -1 3 386.416 -0.464 20 0 GBADHM O=C(C[C@@H]1CCNC1=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1F ZINC001571267863 945582200 /nfs/dbraw/zinc/58/22/00/945582200.db2.gz GWXOQJKFEZFJTO-DLOVCJGASA-N -1 3 386.391 -0.284 20 0 GBADHM O=C(C[C@@H]1CCNC1=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nnn[n-]2)cc1F ZINC001571267863 945582197 /nfs/dbraw/zinc/58/21/97/945582197.db2.gz GWXOQJKFEZFJTO-DLOVCJGASA-N -1 3 386.391 -0.284 20 0 GBADHM O=C(C[C@H]1CCNC1=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1F ZINC001571267864 945582433 /nfs/dbraw/zinc/58/24/33/945582433.db2.gz GWXOQJKFEZFJTO-USWWRNFRSA-N -1 3 386.391 -0.284 20 0 GBADHM O=C(C[C@H]1CCNC1=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nnn[n-]2)cc1F ZINC001571267864 945582427 /nfs/dbraw/zinc/58/24/27/945582427.db2.gz GWXOQJKFEZFJTO-USWWRNFRSA-N -1 3 386.391 -0.284 20 0 GBADHM O=C([C@H]1CCC(=O)N1)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2C1 ZINC001571267866 945581894 /nfs/dbraw/zinc/58/18/94/945581894.db2.gz GZVVJTFFDFITJP-NTZNESFSSA-N -1 3 386.391 -0.426 20 0 GBADHM O=C([C@H]1CCC(=O)N1)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2C1 ZINC001571267866 945581888 /nfs/dbraw/zinc/58/18/88/945581888.db2.gz GZVVJTFFDFITJP-NTZNESFSSA-N -1 3 386.391 -0.426 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC(NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001571267876 945582022 /nfs/dbraw/zinc/58/20/22/945582022.db2.gz HJJNXLIATNMCHR-IGCAFJPESA-N -1 3 386.416 -0.417 20 0 GBADHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC(NC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001571267876 945582015 /nfs/dbraw/zinc/58/20/15/945582015.db2.gz HJJNXLIATNMCHR-IGCAFJPESA-N -1 3 386.416 -0.417 20 0 GBADHM Cn1cnc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C[C@@H]2O)c1 ZINC001571267879 945580626 /nfs/dbraw/zinc/58/06/26/945580626.db2.gz HJYNMRBZLBDOKH-HIFRSBDPSA-N -1 3 386.391 -0.286 20 0 GBADHM Cn1cnc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C[C@@H]2O)c1 ZINC001571267879 945580613 /nfs/dbraw/zinc/58/06/13/945580613.db2.gz HJYNMRBZLBDOKH-HIFRSBDPSA-N -1 3 386.391 -0.286 20 0 GBADHM CN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571267880 945581937 /nfs/dbraw/zinc/58/19/37/945581937.db2.gz HKSXAOLVWQVAID-GHMZBOCLSA-N -1 3 386.416 -0.606 20 0 GBADHM CN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571267880 945581932 /nfs/dbraw/zinc/58/19/32/945581932.db2.gz HKSXAOLVWQVAID-GHMZBOCLSA-N -1 3 386.416 -0.606 20 0 GBADHM CN(C(=O)[C@@H]1CCC(=O)NC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571267881 945581038 /nfs/dbraw/zinc/58/10/38/945581038.db2.gz HKSXAOLVWQVAID-MNOVXSKESA-N -1 3 386.416 -0.606 20 0 GBADHM CN(C(=O)[C@@H]1CCC(=O)NC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571267881 945581027 /nfs/dbraw/zinc/58/10/27/945581027.db2.gz HKSXAOLVWQVAID-MNOVXSKESA-N -1 3 386.416 -0.606 20 0 GBADHM CN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571267882 945581850 /nfs/dbraw/zinc/58/18/50/945581850.db2.gz HKSXAOLVWQVAID-QWRGUYRKSA-N -1 3 386.416 -0.606 20 0 GBADHM CN(C(=O)[C@H]1CCC(=O)NC1)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571267882 945581842 /nfs/dbraw/zinc/58/18/42/945581842.db2.gz HKSXAOLVWQVAID-QWRGUYRKSA-N -1 3 386.416 -0.606 20 0 GBADHM CN(C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571267883 945581797 /nfs/dbraw/zinc/58/17/97/945581797.db2.gz HKSXAOLVWQVAID-WDEREUQCSA-N -1 3 386.416 -0.606 20 0 GBADHM CN(C(=O)[C@H]1CCC(=O)NC1)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571267883 945581789 /nfs/dbraw/zinc/58/17/89/945581789.db2.gz HKSXAOLVWQVAID-WDEREUQCSA-N -1 3 386.416 -0.606 20 0 GBADHM CN(C(=O)[C@]1(C)CCC(=O)N1)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571267888 945581128 /nfs/dbraw/zinc/58/11/28/945581128.db2.gz HPERJMVSPUVXJD-IGCAFJPESA-N -1 3 386.416 -0.417 20 0 GBADHM CN(C(=O)[C@]1(C)CCC(=O)N1)C1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571267888 945581117 /nfs/dbraw/zinc/58/11/17/945581117.db2.gz HPERJMVSPUVXJD-IGCAFJPESA-N -1 3 386.416 -0.417 20 0 GBADHM CCN1C[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1=O ZINC001571267889 945581300 /nfs/dbraw/zinc/58/13/00/945581300.db2.gz HQVJHKWETRSDNI-DCAQKATOSA-N -1 3 386.416 -0.560 20 0 GBADHM CCN1C[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1=O ZINC001571267889 945581295 /nfs/dbraw/zinc/58/12/95/945581295.db2.gz HQVJHKWETRSDNI-DCAQKATOSA-N -1 3 386.416 -0.560 20 0 GBADHM CCN1C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1=O ZINC001571267890 945581186 /nfs/dbraw/zinc/58/11/86/945581186.db2.gz HQVJHKWETRSDNI-GMTAPVOTSA-N -1 3 386.416 -0.560 20 0 GBADHM CCN1C[C@H](C(=O)N[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1=O ZINC001571267890 945581175 /nfs/dbraw/zinc/58/11/75/945581175.db2.gz HQVJHKWETRSDNI-GMTAPVOTSA-N -1 3 386.416 -0.560 20 0 GBADHM Cn1cncc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O ZINC001571267894 945580690 /nfs/dbraw/zinc/58/06/90/945580690.db2.gz HZSUGTKWVLLKJA-UKRRQHHQSA-N -1 3 386.391 -0.286 20 0 GBADHM Cn1cncc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001571267894 945580684 /nfs/dbraw/zinc/58/06/84/945580684.db2.gz HZSUGTKWVLLKJA-UKRRQHHQSA-N -1 3 386.391 -0.286 20 0 GBADHM C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1NC(=O)c1nnn(C)n1 ZINC001571267895 945580766 /nfs/dbraw/zinc/58/07/66/945580766.db2.gz IAVFVKHIHYELCM-NOZJJQNGSA-N -1 3 386.395 -0.220 20 0 GBADHM CCN1C[C@H](C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CC1=O ZINC001571267897 945582096 /nfs/dbraw/zinc/58/20/96/945582096.db2.gz ICDMLDHPLSMXKY-LLVKDONJSA-N -1 3 386.416 -0.652 20 0 GBADHM CCN1C[C@H](C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CC1=O ZINC001571267897 945582090 /nfs/dbraw/zinc/58/20/90/945582090.db2.gz ICDMLDHPLSMXKY-LLVKDONJSA-N -1 3 386.416 -0.652 20 0 GBADHM CCN1C[C@@H](C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CC1=O ZINC001571267898 945581999 /nfs/dbraw/zinc/58/19/99/945581999.db2.gz ICDMLDHPLSMXKY-NSHDSACASA-N -1 3 386.416 -0.652 20 0 GBADHM CCN1C[C@@H](C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CC1=O ZINC001571267898 945581993 /nfs/dbraw/zinc/58/19/93/945581993.db2.gz ICDMLDHPLSMXKY-NSHDSACASA-N -1 3 386.416 -0.652 20 0 GBADHM O=C(Cn1ncnn1)N[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571267899 945582079 /nfs/dbraw/zinc/58/20/79/945582079.db2.gz ICZRIYQPEWRHER-CYBMUJFWSA-N -1 3 386.395 -0.227 20 0 GBADHM COc1ccc(CN2CC(N(C)C(=O)[C@H]3CNC(=O)N3)C2)cc1-c1nn[n-]n1 ZINC001571267900 945581719 /nfs/dbraw/zinc/58/17/19/945581719.db2.gz IEFPXRNBVDNSKO-CYBMUJFWSA-N -1 3 386.416 -0.801 20 0 GBADHM COc1ccc(CN2CC(N(C)C(=O)[C@H]3CNC(=O)N3)C2)cc1-c1nnn[n-]1 ZINC001571267900 945581712 /nfs/dbraw/zinc/58/17/12/945581712.db2.gz IEFPXRNBVDNSKO-CYBMUJFWSA-N -1 3 386.416 -0.801 20 0 GBADHM COc1ccc(CN2CC(N(C)C(=O)[C@@H]3CNC(=O)N3)C2)cc1-c1nn[n-]n1 ZINC001571267901 945581247 /nfs/dbraw/zinc/58/12/47/945581247.db2.gz IEFPXRNBVDNSKO-ZDUSSCGKSA-N -1 3 386.416 -0.801 20 0 GBADHM COc1ccc(CN2CC(N(C)C(=O)[C@@H]3CNC(=O)N3)C2)cc1-c1nnn[n-]1 ZINC001571267901 945581238 /nfs/dbraw/zinc/58/12/38/945581238.db2.gz IEFPXRNBVDNSKO-ZDUSSCGKSA-N -1 3 386.416 -0.801 20 0 GBADHM CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571267908 945580844 /nfs/dbraw/zinc/58/08/44/945580844.db2.gz IQAJNKVCJDIJSK-DGCLKSJQSA-N -1 3 386.416 -0.464 20 0 GBADHM CN1C(=O)CCC[C@@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571267908 945580840 /nfs/dbraw/zinc/58/08/40/945580840.db2.gz IQAJNKVCJDIJSK-DGCLKSJQSA-N -1 3 386.416 -0.464 20 0 GBADHM CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571267909 945582163 /nfs/dbraw/zinc/58/21/63/945582163.db2.gz IQAJNKVCJDIJSK-YPMHNXCESA-N -1 3 386.416 -0.464 20 0 GBADHM CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571267909 945582158 /nfs/dbraw/zinc/58/21/58/945582158.db2.gz IQAJNKVCJDIJSK-YPMHNXCESA-N -1 3 386.416 -0.464 20 0 GBADHM CO[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001571267919 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O=C(C[C@H]1CCNC1=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571268525 945597343 /nfs/dbraw/zinc/59/73/43/945597343.db2.gz GMHKQDDAPFPGGY-HSOILSAZSA-N -1 3 386.416 -0.654 20 0 GBADHM O=C(C[C@H]1CCNC1=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571268525 945597333 /nfs/dbraw/zinc/59/73/33/945597333.db2.gz GMHKQDDAPFPGGY-HSOILSAZSA-N -1 3 386.416 -0.654 20 0 GBADHM O=C(C[C@@H]1CCNC1=O)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571268526 945598831 /nfs/dbraw/zinc/59/88/31/945598831.db2.gz GMHKQDDAPFPGGY-YVNMAJEFSA-N -1 3 386.416 -0.654 20 0 GBADHM O=C(C[C@@H]1CCNC1=O)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571268526 945598825 /nfs/dbraw/zinc/59/88/25/945598825.db2.gz GMHKQDDAPFPGGY-YVNMAJEFSA-N -1 3 386.416 -0.654 20 0 GBADHM Cc1nc(N2CCO[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1-c1nn[n-]n1 ZINC001571268534 945597706 /nfs/dbraw/zinc/59/77/06/945597706.db2.gz GSHZVPHKNPLRAY-RTXFEEFZSA-N -1 3 386.416 -0.987 20 0 GBADHM Cc1nc(N2CCO[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1-c1nnn[n-]1 ZINC001571268534 945597699 /nfs/dbraw/zinc/59/76/99/945597699.db2.gz GSHZVPHKNPLRAY-RTXFEEFZSA-N -1 3 386.416 -0.987 20 0 GBADHM Cc1nc(N2CCO[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1-c1nn[n-]n1 ZINC001571268535 945598921 /nfs/dbraw/zinc/59/89/21/945598921.db2.gz GSHZVPHKNPLRAY-UHTWSYAYSA-N -1 3 386.416 -0.987 20 0 GBADHM Cc1nc(N2CCO[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)ccc1-c1nnn[n-]1 ZINC001571268535 945598916 /nfs/dbraw/zinc/59/89/16/945598916.db2.gz GSHZVPHKNPLRAY-UHTWSYAYSA-N -1 3 386.416 -0.987 20 0 GBADHM O=C(NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCC(=O)N1 ZINC001571268546 945598285 /nfs/dbraw/zinc/59/82/85/945598285.db2.gz HAHVSRUWJOSYCC-CMPLNLGQSA-N -1 3 386.416 -0.558 20 0 GBADHM O=C(NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCC(=O)N1 ZINC001571268546 945598278 /nfs/dbraw/zinc/59/82/78/945598278.db2.gz HAHVSRUWJOSYCC-CMPLNLGQSA-N -1 3 386.416 -0.558 20 0 GBADHM O=C(NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCC(=O)N1 ZINC001571268547 945598603 /nfs/dbraw/zinc/59/86/03/945598603.db2.gz HAHVSRUWJOSYCC-ZYHUDNBSSA-N -1 3 386.416 -0.558 20 0 GBADHM O=C(NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCC(=O)N1 ZINC001571268547 945598599 /nfs/dbraw/zinc/59/85/99/945598599.db2.gz HAHVSRUWJOSYCC-ZYHUDNBSSA-N -1 3 386.416 -0.558 20 0 GBADHM O=C(CN1CCCC1=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571268548 945597844 /nfs/dbraw/zinc/59/78/44/945597844.db2.gz HCAJFHGMVQWCTL-GFCCVEGCSA-N -1 3 386.416 -0.462 20 0 GBADHM O=C(CN1CCCC1=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571268548 945597838 /nfs/dbraw/zinc/59/78/38/945597838.db2.gz HCAJFHGMVQWCTL-GFCCVEGCSA-N -1 3 386.416 -0.462 20 0 GBADHM O=C(CN1CCCC1=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571268549 945597977 /nfs/dbraw/zinc/59/79/77/945597977.db2.gz HCAJFHGMVQWCTL-LBPRGKRZSA-N -1 3 386.416 -0.462 20 0 GBADHM O=C(CN1CCCC1=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571268549 945597972 /nfs/dbraw/zinc/59/79/72/945597972.db2.gz HCAJFHGMVQWCTL-LBPRGKRZSA-N -1 3 386.416 -0.462 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCNC(=O)CC1 ZINC001571268555 945598097 /nfs/dbraw/zinc/59/80/97/945598097.db2.gz HGRYMTLYMVXJDF-GHMZBOCLSA-N -1 3 386.416 -0.558 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCNC(=O)CC1 ZINC001571268555 945598087 /nfs/dbraw/zinc/59/80/87/945598087.db2.gz HGRYMTLYMVXJDF-GHMZBOCLSA-N -1 3 386.416 -0.558 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571268556 945597773 /nfs/dbraw/zinc/59/77/73/945597773.db2.gz HGRYMTLYMVXJDF-WDEREUQCSA-N -1 3 386.416 -0.558 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCNC(=O)CC1 ZINC001571268556 945597763 /nfs/dbraw/zinc/59/77/63/945597763.db2.gz HGRYMTLYMVXJDF-WDEREUQCSA-N -1 3 386.416 -0.558 20 0 GBADHM O=C(NCC1CC(NC(=O)[C@@H]2CCNC(=O)C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571268580 945600754 /nfs/dbraw/zinc/60/07/54/945600754.db2.gz HYBJNOXHDXRMQP-SQLBVSGCSA-N -1 3 386.416 -0.654 20 0 GBADHM O=C(NCC1CC(NC(=O)[C@@H]2CCNC(=O)C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571268580 945600748 /nfs/dbraw/zinc/60/07/48/945600748.db2.gz HYBJNOXHDXRMQP-SQLBVSGCSA-N -1 3 386.416 -0.654 20 0 GBADHM O=C(NCC1CC(NC(=O)[C@H]2CCNC(=O)C2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571268581 945600056 /nfs/dbraw/zinc/60/00/56/945600056.db2.gz HYBJNOXHDXRMQP-YZRBJQDESA-N -1 3 386.416 -0.654 20 0 GBADHM O=C(NCC1CC(NC(=O)[C@H]2CCNC(=O)C2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571268581 945600052 /nfs/dbraw/zinc/60/00/52/945600052.db2.gz HYBJNOXHDXRMQP-YZRBJQDESA-N -1 3 386.416 -0.654 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)O1 ZINC001571268601 945599588 /nfs/dbraw/zinc/59/95/88/945599588.db2.gz IHKKGVFMFVENQU-FRRDWIJNSA-N -1 3 386.416 -0.620 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)O1 ZINC001571268601 945599579 /nfs/dbraw/zinc/59/95/79/945599579.db2.gz IHKKGVFMFVENQU-FRRDWIJNSA-N -1 3 386.416 -0.620 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cn2)O1 ZINC001571268602 945600718 /nfs/dbraw/zinc/60/07/18/945600718.db2.gz IHKKGVFMFVENQU-RWMBFGLXSA-N -1 3 386.416 -0.620 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCCN2c2ccc(-c3nnn[n-]3)cn2)O1 ZINC001571268602 945600713 /nfs/dbraw/zinc/60/07/13/945600713.db2.gz IHKKGVFMFVENQU-RWMBFGLXSA-N -1 3 386.416 -0.620 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001571268603 945600549 /nfs/dbraw/zinc/60/05/49/945600549.db2.gz IHQVLJJXGIKPHI-FOGDFJRCSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)[C@@H]1CCNC(=O)C1 ZINC001571268603 945600538 /nfs/dbraw/zinc/60/05/38/945600538.db2.gz IHQVLJJXGIKPHI-FOGDFJRCSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001571268604 945599925 /nfs/dbraw/zinc/59/99/25/945599925.db2.gz IHQVLJJXGIKPHI-SCVCMEIPSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)[C@H]1CCNC(=O)C1 ZINC001571268604 945599916 /nfs/dbraw/zinc/59/99/16/945599916.db2.gz IHQVLJJXGIKPHI-SCVCMEIPSA-N -1 3 386.416 -0.560 20 0 GBADHM Cn1ncc(CN2CCCO[C@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571268609 945600167 /nfs/dbraw/zinc/60/01/67/945600167.db2.gz IKXKLHDSFXZNOY-CYBMUJFWSA-N -1 3 386.420 -0.656 20 0 GBADHM Cn1ncc(CN2CCCO[C@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571268609 945600162 /nfs/dbraw/zinc/60/01/62/945600162.db2.gz IKXKLHDSFXZNOY-CYBMUJFWSA-N -1 3 386.420 -0.656 20 0 GBADHM Cn1ncc(CN2CCCO[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571268610 945600490 /nfs/dbraw/zinc/60/04/90/945600490.db2.gz IKXKLHDSFXZNOY-ZDUSSCGKSA-N -1 3 386.420 -0.656 20 0 GBADHM Cn1ncc(CN2CCCO[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571268610 945600487 /nfs/dbraw/zinc/60/04/87/945600487.db2.gz IKXKLHDSFXZNOY-ZDUSSCGKSA-N -1 3 386.420 -0.656 20 0 GBADHM CN1C(=O)CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571268612 945599831 /nfs/dbraw/zinc/59/98/31/945599831.db2.gz USLUBTOISLSLCR-AAEUAGOBSA-N -1 3 386.416 -0.464 20 0 GBADHM CN1C(=O)CCC[C@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571268612 945599823 /nfs/dbraw/zinc/59/98/23/945599823.db2.gz USLUBTOISLSLCR-AAEUAGOBSA-N -1 3 386.416 -0.464 20 0 GBADHM CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571268613 945600033 /nfs/dbraw/zinc/60/00/33/945600033.db2.gz USLUBTOISLSLCR-DGCLKSJQSA-N -1 3 386.416 -0.464 20 0 GBADHM CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571268613 945600025 /nfs/dbraw/zinc/60/00/25/945600025.db2.gz USLUBTOISLSLCR-DGCLKSJQSA-N -1 3 386.416 -0.464 20 0 GBADHM CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571268614 945599869 /nfs/dbraw/zinc/59/98/69/945599869.db2.gz USLUBTOISLSLCR-WCQYABFASA-N -1 3 386.416 -0.464 20 0 GBADHM CN1C(=O)CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571268614 945599863 /nfs/dbraw/zinc/59/98/63/945599863.db2.gz USLUBTOISLSLCR-WCQYABFASA-N -1 3 386.416 -0.464 20 0 GBADHM CN1C(=O)CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571268615 945600512 /nfs/dbraw/zinc/60/05/12/945600512.db2.gz USLUBTOISLSLCR-YPMHNXCESA-N -1 3 386.416 -0.464 20 0 GBADHM CN1C(=O)CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571268615 945600507 /nfs/dbraw/zinc/60/05/07/945600507.db2.gz USLUBTOISLSLCR-YPMHNXCESA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571268616 945599790 /nfs/dbraw/zinc/59/97/90/945599790.db2.gz UTVVTNBDZXKUMM-MXWKQRLJSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CC(=O)N(C)C2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571268616 945599786 /nfs/dbraw/zinc/59/97/86/945599786.db2.gz UTVVTNBDZXKUMM-MXWKQRLJSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571268617 945600678 /nfs/dbraw/zinc/60/06/78/945600678.db2.gz UTVVTNBDZXKUMM-VWYCJHECSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CC(=O)N(C)C2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571268617 945600669 /nfs/dbraw/zinc/60/06/69/945600669.db2.gz UTVVTNBDZXKUMM-VWYCJHECSA-N -1 3 386.416 -0.608 20 0 GBADHM CCN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CC1=O ZINC001571268641 945602445 /nfs/dbraw/zinc/60/24/45/945602445.db2.gz VNXRRHHPVFDJHR-GHMZBOCLSA-N -1 3 386.416 -0.606 20 0 GBADHM CCN1C[C@H](C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CC1=O ZINC001571268641 945602442 /nfs/dbraw/zinc/60/24/42/945602442.db2.gz VNXRRHHPVFDJHR-GHMZBOCLSA-N -1 3 386.416 -0.606 20 0 GBADHM 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O=C(NC[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571269251 945615818 /nfs/dbraw/zinc/61/58/18/945615818.db2.gz TTYTYYILRNHIPB-MNOVXSKESA-N -1 3 386.416 -0.701 20 0 GBADHM O=C(NC[C@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571269251 945615813 /nfs/dbraw/zinc/61/58/13/945615813.db2.gz TTYTYYILRNHIPB-MNOVXSKESA-N -1 3 386.416 -0.701 20 0 GBADHM O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571269252 945615418 /nfs/dbraw/zinc/61/54/18/945615418.db2.gz TTYTYYILRNHIPB-QWRGUYRKSA-N -1 3 386.416 -0.701 20 0 GBADHM O=C(NC[C@@H]1CCN(C(=O)[C@H]2CCNC(=O)C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571269252 945615414 /nfs/dbraw/zinc/61/54/14/945615414.db2.gz TTYTYYILRNHIPB-QWRGUYRKSA-N -1 3 386.416 -0.701 20 0 GBADHM O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571269253 945616037 /nfs/dbraw/zinc/61/60/37/945616037.db2.gz TTYTYYILRNHIPB-WDEREUQCSA-N -1 3 386.416 -0.701 20 0 GBADHM O=C(NC[C@@H]1CCN(C(=O)[C@@H]2CCNC(=O)C2)C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571269253 945616032 /nfs/dbraw/zinc/61/60/32/945616032.db2.gz TTYTYYILRNHIPB-WDEREUQCSA-N -1 3 386.416 -0.701 20 0 GBADHM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571269270 945615454 /nfs/dbraw/zinc/61/54/54/945615454.db2.gz UFLDJENKKOPCPL-WCQGTBRESA-N -1 3 386.416 -0.512 20 0 GBADHM O=C(N[C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC(=O)N2)C1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571269270 945615449 /nfs/dbraw/zinc/61/54/49/945615449.db2.gz UFLDJENKKOPCPL-WCQGTBRESA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@]1(C(=O)N2CCO[C@H](CNc3ncccc3-c3nn[n-]n3)C2)CCC(=O)N1 ZINC001571269274 945615921 /nfs/dbraw/zinc/61/59/21/945615921.db2.gz UIINZDJXVWZVKY-DIFFPNOSSA-N -1 3 386.416 -0.430 20 0 GBADHM C[C@@]1(C(=O)N2CCO[C@H](CNc3ncccc3-c3nnn[n-]3)C2)CCC(=O)N1 ZINC001571269274 945615916 /nfs/dbraw/zinc/61/59/16/945615916.db2.gz UIINZDJXVWZVKY-DIFFPNOSSA-N -1 3 386.416 -0.430 20 0 GBADHM C[C@@]1(C(=O)N2CCO[C@@H](CNc3ncccc3-c3nn[n-]n3)C2)CCC(=O)N1 ZINC001571269275 945615611 /nfs/dbraw/zinc/61/56/11/945615611.db2.gz UIINZDJXVWZVKY-GTNSWQLSSA-N -1 3 386.416 -0.430 20 0 GBADHM C[C@@]1(C(=O)N2CCO[C@@H](CNc3ncccc3-c3nnn[n-]3)C2)CCC(=O)N1 ZINC001571269275 945615606 /nfs/dbraw/zinc/61/56/06/945615606.db2.gz UIINZDJXVWZVKY-GTNSWQLSSA-N -1 3 386.416 -0.430 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nc3)C2)O1 ZINC001571269298 945617895 /nfs/dbraw/zinc/61/78/95/945617895.db2.gz UYHHQINQTFEHJG-KWCYVHTRSA-N -1 3 386.416 -0.303 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nc3)C2)O1 ZINC001571269298 945617891 /nfs/dbraw/zinc/61/78/91/945617891.db2.gz UYHHQINQTFEHJG-KWCYVHTRSA-N -1 3 386.416 -0.303 20 0 GBADHM O=C(C[C@@H]1CCC(=O)NC1)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571269332 945617844 /nfs/dbraw/zinc/61/78/44/945617844.db2.gz VRMKRPMQUSLEKQ-JQWIXIFHSA-N -1 3 386.416 -0.558 20 0 GBADHM O=C(C[C@@H]1CCC(=O)NC1)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571269332 945617841 /nfs/dbraw/zinc/61/78/41/945617841.db2.gz VRMKRPMQUSLEKQ-JQWIXIFHSA-N -1 3 386.416 -0.558 20 0 GBADHM O=C(C[C@H]1CCC(=O)NC1)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571269333 945617716 /nfs/dbraw/zinc/61/77/16/945617716.db2.gz VRMKRPMQUSLEKQ-PWSUYJOCSA-N -1 3 386.416 -0.558 20 0 GBADHM O=C(C[C@H]1CCC(=O)NC1)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571269333 945617712 /nfs/dbraw/zinc/61/77/12/945617712.db2.gz VRMKRPMQUSLEKQ-PWSUYJOCSA-N -1 3 386.416 -0.558 20 0 GBADHM O=C(NC1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571269353 945618056 /nfs/dbraw/zinc/61/80/56/945618056.db2.gz WEQWGQIJMWKKFO-SRHKJQAYSA-N -1 3 386.416 -0.369 20 0 GBADHM O=C(NC1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571269353 945618048 /nfs/dbraw/zinc/61/80/48/945618048.db2.gz WEQWGQIJMWKKFO-SRHKJQAYSA-N -1 3 386.416 -0.369 20 0 GBADHM O=C(NC1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571269354 945616847 /nfs/dbraw/zinc/61/68/47/945616847.db2.gz WEQWGQIJMWKKFO-ZPPKWKGLSA-N -1 3 386.416 -0.369 20 0 GBADHM O=C(NC1CCC(NC(=O)[C@@H]2CCC(=O)N2)CC1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571269354 945616838 /nfs/dbraw/zinc/61/68/38/945616838.db2.gz WEQWGQIJMWKKFO-ZPPKWKGLSA-N -1 3 386.416 -0.369 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)n1 ZINC001571269366 945619206 /nfs/dbraw/zinc/61/92/06/945619206.db2.gz WSCJOHBUUZXWMO-RTXFEEFZSA-N -1 3 386.416 -0.669 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)n1 ZINC001571269366 945619202 /nfs/dbraw/zinc/61/92/02/945619202.db2.gz WSCJOHBUUZXWMO-RTXFEEFZSA-N -1 3 386.416 -0.669 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)n1 ZINC001571269367 945618826 /nfs/dbraw/zinc/61/88/26/945618826.db2.gz WSCJOHBUUZXWMO-UHTWSYAYSA-N -1 3 386.416 -0.669 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)CCO2)n1 ZINC001571269367 945618818 /nfs/dbraw/zinc/61/88/18/945618818.db2.gz WSCJOHBUUZXWMO-UHTWSYAYSA-N -1 3 386.416 -0.669 20 0 GBADHM CCn1nncc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001571269368 945618931 /nfs/dbraw/zinc/61/89/31/945618931.db2.gz WTBWDZVSFZSNHP-GXTWGEPZSA-N -1 3 386.420 -0.829 20 0 GBADHM CCn1nncc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001571269368 945618926 /nfs/dbraw/zinc/61/89/26/945618926.db2.gz WTBWDZVSFZSNHP-GXTWGEPZSA-N -1 3 386.420 -0.829 20 0 GBADHM CCn1nncc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001571269369 945619586 /nfs/dbraw/zinc/61/95/86/945619586.db2.gz WTBWDZVSFZSNHP-JSGCOSHPSA-N -1 3 386.420 -0.829 20 0 GBADHM CCn1nncc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001571269369 945619581 /nfs/dbraw/zinc/61/95/81/945619581.db2.gz WTBWDZVSFZSNHP-JSGCOSHPSA-N -1 3 386.420 -0.829 20 0 GBADHM CCn1nncc1CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001571269370 945618902 /nfs/dbraw/zinc/61/89/02/945618902.db2.gz WTBWDZVSFZSNHP-OCCSQVGLSA-N -1 3 386.420 -0.829 20 0 GBADHM CCn1nncc1CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001571269370 945618899 /nfs/dbraw/zinc/61/88/99/945618899.db2.gz WTBWDZVSFZSNHP-OCCSQVGLSA-N -1 3 386.420 -0.829 20 0 GBADHM CCn1nncc1CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001571269371 945619825 /nfs/dbraw/zinc/61/98/25/945619825.db2.gz WTBWDZVSFZSNHP-TZMCWYRMSA-N -1 3 386.420 -0.829 20 0 GBADHM CCn1nncc1CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001571269371 945619821 /nfs/dbraw/zinc/61/98/21/945619821.db2.gz WTBWDZVSFZSNHP-TZMCWYRMSA-N -1 3 386.420 -0.829 20 0 GBADHM CCn1nc(C)c(CN2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)n1 ZINC001571269376 945619853 /nfs/dbraw/zinc/61/98/53/945619853.db2.gz WYDMJGXVDQUGHL-KGLIPLIRSA-N -1 3 386.420 -0.910 20 0 GBADHM CCn1nc(C)c(CN2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)n1 ZINC001571269376 945619850 /nfs/dbraw/zinc/61/98/50/945619850.db2.gz WYDMJGXVDQUGHL-KGLIPLIRSA-N -1 3 386.420 -0.910 20 0 GBADHM O=C([C@H]1CCC(=O)N1)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001571269379 945620026 /nfs/dbraw/zinc/62/00/26/945620026.db2.gz WYLUXIWTTIBTAA-CYBMUJFWSA-N -1 3 386.416 -0.694 20 0 GBADHM O=C([C@H]1CCC(=O)N1)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001571269379 945620019 /nfs/dbraw/zinc/62/00/19/945620019.db2.gz WYLUXIWTTIBTAA-CYBMUJFWSA-N -1 3 386.416 -0.694 20 0 GBADHM O=C(CN1CCCC1=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571269396 945619301 /nfs/dbraw/zinc/61/93/01/945619301.db2.gz XKBYBJYTFVQPSX-GFCCVEGCSA-N -1 3 386.416 -0.462 20 0 GBADHM O=C(CN1CCCC1=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571269396 945619292 /nfs/dbraw/zinc/61/92/92/945619292.db2.gz XKBYBJYTFVQPSX-GFCCVEGCSA-N -1 3 386.416 -0.462 20 0 GBADHM O=C(CN1CCCC1=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571269397 945619599 /nfs/dbraw/zinc/61/95/99/945619599.db2.gz XKBYBJYTFVQPSX-LBPRGKRZSA-N -1 3 386.416 -0.462 20 0 GBADHM O=C(CN1CCCC1=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571269397 945619594 /nfs/dbraw/zinc/61/95/94/945619594.db2.gz XKBYBJYTFVQPSX-LBPRGKRZSA-N -1 3 386.416 -0.462 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001571269410 945619653 /nfs/dbraw/zinc/61/96/53/945619653.db2.gz XRPQOECFFUVCRW-LLVKDONJSA-N -1 3 386.416 -0.605 20 0 GBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCN(C(=O)[C@@H]2CCNC(=O)C2)CC1 ZINC001571269410 945619648 /nfs/dbraw/zinc/61/96/48/945619648.db2.gz XRPQOECFFUVCRW-LLVKDONJSA-N -1 3 386.416 -0.605 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001571269411 945619702 /nfs/dbraw/zinc/61/97/02/945619702.db2.gz XRPQOECFFUVCRW-NSHDSACASA-N -1 3 386.416 -0.605 20 0 GBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CCCN(C(=O)[C@H]2CCNC(=O)C2)CC1 ZINC001571269411 945619698 /nfs/dbraw/zinc/61/96/98/945619698.db2.gz XRPQOECFFUVCRW-NSHDSACASA-N -1 3 386.416 -0.605 20 0 GBADHM O=C(CN1CCOCC1=O)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571269419 945619338 /nfs/dbraw/zinc/61/93/38/945619338.db2.gz XZQBDIGQHQESDT-GFCCVEGCSA-N -1 3 386.416 -0.477 20 0 GBADHM O=C(CN1CCOCC1=O)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571269419 945619336 /nfs/dbraw/zinc/61/93/36/945619336.db2.gz XZQBDIGQHQESDT-GFCCVEGCSA-N -1 3 386.416 -0.477 20 0 GBADHM O=C(CN1CCOCC1=O)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571269420 945619777 /nfs/dbraw/zinc/61/97/77/945619777.db2.gz XZQBDIGQHQESDT-LBPRGKRZSA-N -1 3 386.416 -0.477 20 0 GBADHM O=C(CN1CCOCC1=O)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571269420 945619770 /nfs/dbraw/zinc/61/97/70/945619770.db2.gz XZQBDIGQHQESDT-LBPRGKRZSA-N -1 3 386.416 -0.477 20 0 GBADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571269421 945618950 /nfs/dbraw/zinc/61/89/50/945618950.db2.gz YAFXRLRGWHJIFN-NEPJUHHUSA-N -1 3 386.416 -0.573 20 0 GBADHM NC(=O)[C@@H]1CC[C@@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571269421 945618943 /nfs/dbraw/zinc/61/89/43/945618943.db2.gz YAFXRLRGWHJIFN-NEPJUHHUSA-N -1 3 386.416 -0.573 20 0 GBADHM NC(=O)[C@H]1CC[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571269422 945618800 /nfs/dbraw/zinc/61/88/00/945618800.db2.gz YAFXRLRGWHJIFN-NWDGAFQWSA-N -1 3 386.416 -0.573 20 0 GBADHM NC(=O)[C@H]1CC[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571269422 945618796 /nfs/dbraw/zinc/61/87/96/945618796.db2.gz YAFXRLRGWHJIFN-NWDGAFQWSA-N -1 3 386.416 -0.573 20 0 GBADHM NC(=O)[C@H]1CC[C@@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571269423 945619718 /nfs/dbraw/zinc/61/97/18/945619718.db2.gz YAFXRLRGWHJIFN-RYUDHWBXSA-N -1 3 386.416 -0.573 20 0 GBADHM NC(=O)[C@H]1CC[C@@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571269423 945619713 /nfs/dbraw/zinc/61/97/13/945619713.db2.gz YAFXRLRGWHJIFN-RYUDHWBXSA-N -1 3 386.416 -0.573 20 0 GBADHM NC(=O)[C@@H]1CC[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001571269424 945618875 /nfs/dbraw/zinc/61/88/75/945618875.db2.gz YAFXRLRGWHJIFN-VXGBXAGGSA-N -1 3 386.416 -0.573 20 0 GBADHM NC(=O)[C@@H]1CC[C@H]1C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001571269424 945618866 /nfs/dbraw/zinc/61/88/66/945618866.db2.gz YAFXRLRGWHJIFN-VXGBXAGGSA-N -1 3 386.416 -0.573 20 0 GBADHM O=C(NC1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571269425 945619321 /nfs/dbraw/zinc/61/93/21/945619321.db2.gz YAZDWPHCVPJTQW-SQLBVSGCSA-N -1 3 386.416 -0.654 20 0 GBADHM O=C(NC1CC(CNC(=O)[C@@H]2CCNC(=O)C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571269425 945619314 /nfs/dbraw/zinc/61/93/14/945619314.db2.gz YAZDWPHCVPJTQW-SQLBVSGCSA-N -1 3 386.416 -0.654 20 0 GBADHM O=C(NC1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571269426 945619039 /nfs/dbraw/zinc/61/90/39/945619039.db2.gz YAZDWPHCVPJTQW-YZRBJQDESA-N -1 3 386.416 -0.654 20 0 GBADHM O=C(NC1CC(CNC(=O)[C@H]2CCNC(=O)C2)C1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571269426 945619033 /nfs/dbraw/zinc/61/90/33/945619033.db2.gz YAZDWPHCVPJTQW-YZRBJQDESA-N -1 3 386.416 -0.654 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)cn3)C2)O1 ZINC001571269428 945619635 /nfs/dbraw/zinc/61/96/35/945619635.db2.gz YCOCAKOSJLUWIQ-XYJRDEOASA-N -1 3 386.416 -0.399 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H](CNc3ccc(-c4nnn[n-]4)cn3)C2)O1 ZINC001571269428 945619631 /nfs/dbraw/zinc/61/96/31/945619631.db2.gz YCOCAKOSJLUWIQ-XYJRDEOASA-N -1 3 386.416 -0.399 20 0 GBADHM Cn1cc(CN2CCCO[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571269439 945619843 /nfs/dbraw/zinc/61/98/43/945619843.db2.gz YLUBGIJWIZNFEO-CYBMUJFWSA-N -1 3 386.420 -0.656 20 0 GBADHM Cn1cc(CN2CCCO[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571269439 945619840 /nfs/dbraw/zinc/61/98/40/945619840.db2.gz YLUBGIJWIZNFEO-CYBMUJFWSA-N -1 3 386.420 -0.656 20 0 GBADHM Cn1cc(CN2CCCO[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001571269440 945620642 /nfs/dbraw/zinc/62/06/42/945620642.db2.gz YLUBGIJWIZNFEO-ZDUSSCGKSA-N -1 3 386.420 -0.656 20 0 GBADHM Cn1cc(CN2CCCO[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001571269440 945620635 /nfs/dbraw/zinc/62/06/35/945620635.db2.gz YLUBGIJWIZNFEO-ZDUSSCGKSA-N -1 3 386.420 -0.656 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)O1 ZINC001571269454 945621878 /nfs/dbraw/zinc/62/18/78/945621878.db2.gz YTEDVEALKROPSD-LEWSCRJBSA-N -1 3 386.416 -0.620 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nc3)C2)O1 ZINC001571269454 945621873 /nfs/dbraw/zinc/62/18/73/945621873.db2.gz YTEDVEALKROPSD-LEWSCRJBSA-N -1 3 386.416 -0.620 20 0 GBADHM Cn1nnc(C(=O)N2CC[C@H]3CN(Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)n1 ZINC001571269643 945622823 /nfs/dbraw/zinc/62/28/23/945622823.db2.gz BJMDDWLWSIKDRC-GXSJLCMTSA-N -1 3 386.445 -0.202 20 0 GBADHM Cc1nc(N2C[C@@H](NC(=O)Cc3cncs3)[C@@H](O)C2)ccc1-c1nn[n-]n1 ZINC001571269844 945624495 /nfs/dbraw/zinc/62/44/95/945624495.db2.gz DWDUCTKZGBLQOH-OLZOCXBDSA-N -1 3 386.441 -0.065 20 0 GBADHM Cc1nc(N2C[C@@H](NC(=O)Cc3cncs3)[C@@H](O)C2)ccc1-c1nnn[n-]1 ZINC001571269844 945624492 /nfs/dbraw/zinc/62/44/92/945624492.db2.gz DWDUCTKZGBLQOH-OLZOCXBDSA-N -1 3 386.441 -0.065 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2C[C@@H](O)[C@H](NC(=O)Cc3cscn3)C2)n1 ZINC001571269880 945627096 /nfs/dbraw/zinc/62/70/96/945627096.db2.gz GHKBIQPFBVNRRB-CHWSQXEVSA-N -1 3 386.441 -0.065 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2C[C@@H](O)[C@H](NC(=O)Cc3cscn3)C2)n1 ZINC001571269880 945627089 /nfs/dbraw/zinc/62/70/89/945627089.db2.gz GHKBIQPFBVNRRB-CHWSQXEVSA-N -1 3 386.441 -0.065 20 0 GBADHM Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001571269917 945627736 /nfs/dbraw/zinc/62/77/36/945627736.db2.gz HTSWPNQGQSMREW-IEBDPFPHSA-N -1 3 386.445 -0.013 20 0 GBADHM Cn1nnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001571269917 945627735 /nfs/dbraw/zinc/62/77/35/945627735.db2.gz HTSWPNQGQSMREW-IEBDPFPHSA-N -1 3 386.445 -0.013 20 0 GBADHM Cc1nsc(N2C[C@H]3CN(C(=O)Cn4cncn4)C[C@H]3C2)c1-c1nnn[n-]1 ZINC001571270072 945631886 /nfs/dbraw/zinc/63/18/86/945631886.db2.gz MIQBYKMASIDBFF-PHIMTYICSA-N -1 3 386.445 -0.182 20 0 GBADHM Cc1nc(CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)cs1 ZINC001571270365 945634613 /nfs/dbraw/zinc/63/46/13/945634613.db2.gz RKFMTPBPBDIEHM-KGLIPLIRSA-N -1 3 386.441 -0.065 20 0 GBADHM Cc1nc(CC(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)cs1 ZINC001571270365 945634608 /nfs/dbraw/zinc/63/46/08/945634608.db2.gz RKFMTPBPBDIEHM-KGLIPLIRSA-N -1 3 386.441 -0.065 20 0 GBADHM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)c4ncn(C)n4)[C@@H]3C2)c1-c1nnn[n-]1 ZINC001571270393 945636864 /nfs/dbraw/zinc/63/68/64/945636864.db2.gz SDQGFLIMTOPMQT-OWUUHHOZSA-N -1 3 386.445 -0.128 20 0 GBADHM CS(C)(=O)=NS(=O)(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001571272639 945668153 /nfs/dbraw/zinc/66/81/53/945668153.db2.gz GTNOMXNQPJEOKF-UHFFFAOYSA-N -1 3 386.463 -0.644 20 0 GBADHM CS(C)(=O)=NS(=O)(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001571272639 945668151 /nfs/dbraw/zinc/66/81/51/945668151.db2.gz GTNOMXNQPJEOKF-UHFFFAOYSA-N -1 3 386.463 -0.644 20 0 GBADHM Cc1nc(N(C)[C@H]2CCN(C(=O)CN3CCOCC3)C2)ccc1-c1nn[n-]n1 ZINC001571272656 945667570 /nfs/dbraw/zinc/66/75/70/945667570.db2.gz GYTLSUFFFYHZOD-AWEZNQCLSA-N -1 3 386.460 -0.061 20 0 GBADHM Cc1nc(N(C)[C@H]2CCN(C(=O)CN3CCOCC3)C2)ccc1-c1nnn[n-]1 ZINC001571272656 945667565 /nfs/dbraw/zinc/66/75/65/945667565.db2.gz GYTLSUFFFYHZOD-AWEZNQCLSA-N -1 3 386.460 -0.061 20 0 GBADHM Cc1nc(N(C)[C@@H]2CCN(C(=O)CN3CCOCC3)C2)ccc1-c1nn[n-]n1 ZINC001571272661 945667992 /nfs/dbraw/zinc/66/79/92/945667992.db2.gz GYTLSUFFFYHZOD-CQSZACIVSA-N -1 3 386.460 -0.061 20 0 GBADHM Cc1nc(N(C)[C@@H]2CCN(C(=O)CN3CCOCC3)C2)ccc1-c1nnn[n-]1 ZINC001571272661 945667985 /nfs/dbraw/zinc/66/79/85/945667985.db2.gz GYTLSUFFFYHZOD-CQSZACIVSA-N -1 3 386.460 -0.061 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N(C)[C@H]2CCN(C(=O)CN3CCOCC3)C2)n1 ZINC001571272813 945671086 /nfs/dbraw/zinc/67/10/86/945671086.db2.gz IUCYEEBFDXCNAC-AWEZNQCLSA-N -1 3 386.460 -0.061 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N(C)[C@H]2CCN(C(=O)CN3CCOCC3)C2)n1 ZINC001571272813 945671078 /nfs/dbraw/zinc/67/10/78/945671078.db2.gz IUCYEEBFDXCNAC-AWEZNQCLSA-N -1 3 386.460 -0.061 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N(C)[C@@H]2CCN(C(=O)CN3CCOCC3)C2)n1 ZINC001571272814 945670853 /nfs/dbraw/zinc/67/08/53/945670853.db2.gz IUCYEEBFDXCNAC-CQSZACIVSA-N -1 3 386.460 -0.061 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N(C)[C@@H]2CCN(C(=O)CN3CCOCC3)C2)n1 ZINC001571272814 945670847 /nfs/dbraw/zinc/67/08/47/945670847.db2.gz IUCYEEBFDXCNAC-CQSZACIVSA-N -1 3 386.460 -0.061 20 0 GBADHM CN1CCO[C@H](C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571272993 945675255 /nfs/dbraw/zinc/67/52/55/945675255.db2.gz MJTOYXYWDJPXOW-HNNXBMFYSA-N -1 3 386.460 -0.075 20 0 GBADHM CN1CCO[C@H](C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571272993 945675247 /nfs/dbraw/zinc/67/52/47/945675247.db2.gz MJTOYXYWDJPXOW-HNNXBMFYSA-N -1 3 386.460 -0.075 20 0 GBADHM CN1CCO[C@@H](C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571272994 945676051 /nfs/dbraw/zinc/67/60/51/945676051.db2.gz MJTOYXYWDJPXOW-OAHLLOKOSA-N -1 3 386.460 -0.075 20 0 GBADHM CN1CCO[C@@H](C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571272994 945676046 /nfs/dbraw/zinc/67/60/46/945676046.db2.gz MJTOYXYWDJPXOW-OAHLLOKOSA-N -1 3 386.460 -0.075 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 ZINC001571273152 945679416 /nfs/dbraw/zinc/67/94/16/945679416.db2.gz QQRUYOGGAORQOG-UHFFFAOYSA-N -1 3 386.460 -0.059 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCN(C(=O)CCN3CCOCC3)CC2)n1 ZINC001571273152 945679411 /nfs/dbraw/zinc/67/94/11/945679411.db2.gz QQRUYOGGAORQOG-UHFFFAOYSA-N -1 3 386.460 -0.059 20 0 GBADHM Cn1c(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)ccc1-c1nn[n-]n1 ZINC001571273287 945684318 /nfs/dbraw/zinc/68/43/18/945684318.db2.gz URXMDLSHVJUWJZ-UHFFFAOYSA-N -1 3 386.460 -0.169 20 0 GBADHM Cn1c(C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)ccc1-c1nnn[n-]1 ZINC001571273287 945684311 /nfs/dbraw/zinc/68/43/11/945684311.db2.gz URXMDLSHVJUWJZ-UHFFFAOYSA-N -1 3 386.460 -0.169 20 0 GBADHM CN(C)C(=O)CN1CCCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001571273329 945685865 /nfs/dbraw/zinc/68/58/65/945685865.db2.gz VOFLWYMOZVVVNI-UHFFFAOYSA-N -1 3 386.460 -0.099 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@H](NC(=O)CN3CCOCC3)C2)n1 ZINC001571273403 945687860 /nfs/dbraw/zinc/68/78/60/945687860.db2.gz XAFKQVXJPOAUMC-AWEZNQCLSA-N -1 3 386.460 -0.013 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@H](NC(=O)CN3CCOCC3)C2)n1 ZINC001571273403 945687857 /nfs/dbraw/zinc/68/78/57/945687857.db2.gz XAFKQVXJPOAUMC-AWEZNQCLSA-N -1 3 386.460 -0.013 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)CN3CCOCC3)C2)n1 ZINC001571273404 945688926 /nfs/dbraw/zinc/68/89/26/945688926.db2.gz XAFKQVXJPOAUMC-CQSZACIVSA-N -1 3 386.460 -0.013 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)CN3CCOCC3)C2)n1 ZINC001571273404 945688923 /nfs/dbraw/zinc/68/89/23/945688923.db2.gz XAFKQVXJPOAUMC-CQSZACIVSA-N -1 3 386.460 -0.013 20 0 GBADHM Cc1nc(N2CCC[C@H](NC(=O)CN3CCOCC3)C2)ccc1-c1nn[n-]n1 ZINC001571273500 945690690 /nfs/dbraw/zinc/69/06/90/945690690.db2.gz YOTPULHJONWQIT-AWEZNQCLSA-N -1 3 386.460 -0.013 20 0 GBADHM Cc1nc(N2CCC[C@H](NC(=O)CN3CCOCC3)C2)ccc1-c1nnn[n-]1 ZINC001571273500 945690686 /nfs/dbraw/zinc/69/06/86/945690686.db2.gz YOTPULHJONWQIT-AWEZNQCLSA-N -1 3 386.460 -0.013 20 0 GBADHM Cc1nc(N2CCC[C@@H](NC(=O)CN3CCOCC3)C2)ccc1-c1nn[n-]n1 ZINC001571273501 945690783 /nfs/dbraw/zinc/69/07/83/945690783.db2.gz YOTPULHJONWQIT-CQSZACIVSA-N -1 3 386.460 -0.013 20 0 GBADHM Cc1nc(N2CCC[C@@H](NC(=O)CN3CCOCC3)C2)ccc1-c1nnn[n-]1 ZINC001571273501 945690777 /nfs/dbraw/zinc/69/07/77/945690777.db2.gz YOTPULHJONWQIT-CQSZACIVSA-N -1 3 386.460 -0.013 20 0 GBADHM O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571273998 945692862 /nfs/dbraw/zinc/69/28/62/945692862.db2.gz AHBJCGOEIYKAFS-QWRGUYRKSA-N -1 3 386.807 -0.004 20 0 GBADHM O=C(Cn1cncn1)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571273998 945692859 /nfs/dbraw/zinc/69/28/59/945692859.db2.gz AHBJCGOEIYKAFS-QWRGUYRKSA-N -1 3 386.807 -0.004 20 0 GBADHM Cn1nnc(C(=O)NC2(C)CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC001571274066 945693327 /nfs/dbraw/zinc/69/33/27/945693327.db2.gz APIVEWASVFAMMX-UHFFFAOYSA-N -1 3 387.383 -0.287 20 0 GBADHM Cn1nnc(C(=O)NC2(C)CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)n1 ZINC001571274066 945693323 /nfs/dbraw/zinc/69/33/23/945693323.db2.gz APIVEWASVFAMMX-UHFFFAOYSA-N -1 3 387.383 -0.287 20 0 GBADHM O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571274138 945694582 /nfs/dbraw/zinc/69/45/82/945694582.db2.gz CBYMLMPEQVELCR-COPLHBTASA-N -1 3 387.375 -0.101 20 0 GBADHM O=C([C@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571274138 945694577 /nfs/dbraw/zinc/69/45/77/945694577.db2.gz CBYMLMPEQVELCR-COPLHBTASA-N -1 3 387.375 -0.101 20 0 GBADHM O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571274139 945694336 /nfs/dbraw/zinc/69/43/36/945694336.db2.gz CBYMLMPEQVELCR-MJVIPROJSA-N -1 3 387.375 -0.101 20 0 GBADHM O=C([C@@H]1COC(=O)N1)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571274139 945694331 /nfs/dbraw/zinc/69/43/31/945694331.db2.gz CBYMLMPEQVELCR-MJVIPROJSA-N -1 3 387.375 -0.101 20 0 GBADHM Cc1cnn(C)c1C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001571274142 945694507 /nfs/dbraw/zinc/69/45/07/945694507.db2.gz CFKRGXFYYUZWJR-VXGBXAGGSA-N -1 3 387.379 -0.578 20 0 GBADHM Cc1cnn(C)c1C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001571274142 945694503 /nfs/dbraw/zinc/69/45/03/945694503.db2.gz CFKRGXFYYUZWJR-VXGBXAGGSA-N -1 3 387.379 -0.578 20 0 GBADHM C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001571274278 945694472 /nfs/dbraw/zinc/69/44/72/945694472.db2.gz DGUOXQXZDLTHOL-BXKDBHETSA-N -1 3 387.383 -0.264 20 0 GBADHM C[C@@H]1CN(C(=O)CCn2cnnn2)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001571274278 945694469 /nfs/dbraw/zinc/69/44/69/945694469.db2.gz DGUOXQXZDLTHOL-BXKDBHETSA-N -1 3 387.383 -0.264 20 0 GBADHM NS(=O)(=O)N1CCC(NC(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571274287 945694379 /nfs/dbraw/zinc/69/43/79/945694379.db2.gz DWEUSUDIRCNOQG-UHFFFAOYSA-N -1 3 386.825 -0.687 20 0 GBADHM NS(=O)(=O)N1CCC(NC(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571274287 945694376 /nfs/dbraw/zinc/69/43/76/945694376.db2.gz DWEUSUDIRCNOQG-UHFFFAOYSA-N -1 3 386.825 -0.687 20 0 GBADHM O=C(Cc1ccon1)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001571274308 945694856 /nfs/dbraw/zinc/69/48/56/945694856.db2.gz FRHPOAWXYORBJB-HUUCEWRRSA-N -1 3 387.375 -0.102 20 0 GBADHM O=C(Cc1ccon1)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001571274308 945694851 /nfs/dbraw/zinc/69/48/51/945694851.db2.gz FRHPOAWXYORBJB-HUUCEWRRSA-N -1 3 387.375 -0.102 20 0 GBADHM Cc1c(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@@H]2O)nnn1C ZINC001571274314 945695075 /nfs/dbraw/zinc/69/50/75/945695075.db2.gz FYUVVORSWNOKQD-PWSUYJOCSA-N -1 3 387.379 -0.578 20 0 GBADHM Cc1c(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@@H]2O)nnn1C ZINC001571274314 945695070 /nfs/dbraw/zinc/69/50/70/945695070.db2.gz FYUVVORSWNOKQD-PWSUYJOCSA-N -1 3 387.379 -0.578 20 0 GBADHM CN(C[C@H]1CCN(C(=O)c2nnn(C)n2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571274327 945697196 /nfs/dbraw/zinc/69/71/96/945697196.db2.gz GASZXSHDAVGSGJ-SECBINFHSA-N -1 3 387.383 -0.477 20 0 GBADHM CN(C[C@H]1CCN(C(=O)c2nnn(C)n2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571274327 945697191 /nfs/dbraw/zinc/69/71/91/945697191.db2.gz GASZXSHDAVGSGJ-SECBINFHSA-N -1 3 387.383 -0.477 20 0 GBADHM CN(C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1)c1ncc(-c2nn[n-]n2)cc1F ZINC001571274329 945696905 /nfs/dbraw/zinc/69/69/05/945696905.db2.gz GASZXSHDAVGSGJ-VIFPVBQESA-N -1 3 387.383 -0.477 20 0 GBADHM CN(C[C@@H]1CCN(C(=O)c2nnn(C)n2)C1)c1ncc(-c2nnn[n-]2)cc1F ZINC001571274329 945696901 /nfs/dbraw/zinc/69/69/01/945696901.db2.gz GASZXSHDAVGSGJ-VIFPVBQESA-N -1 3 387.383 -0.477 20 0 GBADHM O=C(NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1)c1cnon1 ZINC001571274351 945697410 /nfs/dbraw/zinc/69/74/10/945697410.db2.gz GFESNMKEXPTTSO-SECBINFHSA-N -1 3 387.360 -0.761 20 0 GBADHM O=C(NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1)c1cnon1 ZINC001571274351 945697406 /nfs/dbraw/zinc/69/74/06/945697406.db2.gz GFESNMKEXPTTSO-SECBINFHSA-N -1 3 387.360 -0.761 20 0 GBADHM O=C(NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCO1)c1cnon1 ZINC001571274355 945696451 /nfs/dbraw/zinc/69/64/51/945696451.db2.gz GFESNMKEXPTTSO-VIFPVBQESA-N -1 3 387.360 -0.761 20 0 GBADHM O=C(NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCO1)c1cnon1 ZINC001571274355 945696444 /nfs/dbraw/zinc/69/64/44/945696444.db2.gz GFESNMKEXPTTSO-VIFPVBQESA-N -1 3 387.360 -0.761 20 0 GBADHM C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)CN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571274357 945696791 /nfs/dbraw/zinc/69/67/91/945696791.db2.gz GFFNHEGITHBBED-GXSJLCMTSA-N -1 3 387.383 -0.439 20 0 GBADHM C[C@H]1CC[C@@H](NC(=O)Cn2cnnn2)CN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571274357 945696788 /nfs/dbraw/zinc/69/67/88/945696788.db2.gz GFFNHEGITHBBED-GXSJLCMTSA-N -1 3 387.383 -0.439 20 0 GBADHM C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)CN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571274365 945696729 /nfs/dbraw/zinc/69/67/29/945696729.db2.gz GFFNHEGITHBBED-KOLCDFICSA-N -1 3 387.383 -0.439 20 0 GBADHM C[C@@H]1CC[C@H](NC(=O)Cn2cnnn2)CN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571274365 945696726 /nfs/dbraw/zinc/69/67/26/945696726.db2.gz GFFNHEGITHBBED-KOLCDFICSA-N -1 3 387.383 -0.439 20 0 GBADHM C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)CN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571274367 945697645 /nfs/dbraw/zinc/69/76/45/945697645.db2.gz GFFNHEGITHBBED-MWLCHTKSSA-N -1 3 387.383 -0.439 20 0 GBADHM C[C@@H]1CC[C@@H](NC(=O)Cn2cnnn2)CN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571274367 945697644 /nfs/dbraw/zinc/69/76/44/945697644.db2.gz GFFNHEGITHBBED-MWLCHTKSSA-N -1 3 387.383 -0.439 20 0 GBADHM C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)CN1c1ncc(-c2nn[n-]n2)cc1F ZINC001571274370 945697292 /nfs/dbraw/zinc/69/72/92/945697292.db2.gz GFFNHEGITHBBED-ONGXEEELSA-N -1 3 387.383 -0.439 20 0 GBADHM C[C@H]1CC[C@H](NC(=O)Cn2cnnn2)CN1c1ncc(-c2nnn[n-]2)cc1F ZINC001571274370 945697285 /nfs/dbraw/zinc/69/72/85/945697285.db2.gz GFFNHEGITHBBED-ONGXEEELSA-N -1 3 387.383 -0.439 20 0 GBADHM Cn1cnc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C[C@H]2O)n1 ZINC001571274409 945697627 /nfs/dbraw/zinc/69/76/27/945697627.db2.gz GTZWVGBEMHXXOM-CHWSQXEVSA-N -1 3 387.379 -0.891 20 0 GBADHM Cn1cnc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C[C@H]2O)n1 ZINC001571274409 945697624 /nfs/dbraw/zinc/69/76/24/945697624.db2.gz GTZWVGBEMHXXOM-CHWSQXEVSA-N -1 3 387.379 -0.891 20 0 GBADHM Cn1cnc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nn[n-]n4)cc3F)C[C@@H]2O)n1 ZINC001571274411 945696425 /nfs/dbraw/zinc/69/64/25/945696425.db2.gz GTZWVGBEMHXXOM-OLZOCXBDSA-N -1 3 387.379 -0.891 20 0 GBADHM Cn1cnc(C(=O)N[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)cc3F)C[C@@H]2O)n1 ZINC001571274411 945696420 /nfs/dbraw/zinc/69/64/20/945696420.db2.gz GTZWVGBEMHXXOM-OLZOCXBDSA-N -1 3 387.379 -0.891 20 0 GBADHM O=C(Nc1cc(-c2nn[n-]n2)c2ccccc2n1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001571274585 945696335 /nfs/dbraw/zinc/69/63/35/945696335.db2.gz HYZKCSIUVBKOIN-NSHDSACASA-N -1 3 387.381 -0.733 20 0 GBADHM O=C(Nc1cc(-c2nnn[n-]2)c2ccccc2n1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001571274585 945696328 /nfs/dbraw/zinc/69/63/28/945696328.db2.gz HYZKCSIUVBKOIN-NSHDSACASA-N -1 3 387.381 -0.733 20 0 GBADHM CC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCN(C(=O)Cn2ncnn2)CC1 ZINC001571274600 945699218 /nfs/dbraw/zinc/69/92/18/945699218.db2.gz IPEKKIPXPGXLMD-UHFFFAOYSA-N -1 3 387.383 -0.120 20 0 GBADHM CC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCN(C(=O)Cn2ncnn2)CC1 ZINC001571274600 945699214 /nfs/dbraw/zinc/69/92/14/945699214.db2.gz IPEKKIPXPGXLMD-UHFFFAOYSA-N -1 3 387.383 -0.120 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2CN(Cc3cc(-c4nn[n-]n4)ccc3F)C[C@H]2O)n1 ZINC001571274625 945699310 /nfs/dbraw/zinc/69/93/10/945699310.db2.gz JGPATEQNSMQYEA-ZIAGYGMSSA-N -1 3 387.379 -0.891 20 0 GBADHM Cc1cc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)[nH]n1 ZINC001571274637 945699013 /nfs/dbraw/zinc/69/90/13/945699013.db2.gz JJIBLLVOIXFFRN-AAEUAGOBSA-N -1 3 387.379 -0.198 20 0 GBADHM Cc1cc(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)[nH]n1 ZINC001571274637 945699010 /nfs/dbraw/zinc/69/90/10/945699010.db2.gz JJIBLLVOIXFFRN-AAEUAGOBSA-N -1 3 387.379 -0.198 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2O)[nH]n1 ZINC001571274639 945698360 /nfs/dbraw/zinc/69/83/60/945698360.db2.gz JJIBLLVOIXFFRN-DGCLKSJQSA-N -1 3 387.379 -0.198 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2O)[nH]n1 ZINC001571274639 945698355 /nfs/dbraw/zinc/69/83/55/945698355.db2.gz JJIBLLVOIXFFRN-DGCLKSJQSA-N -1 3 387.379 -0.198 20 0 GBADHM Cc1cc(C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2O)[nH]n1 ZINC001571274642 945698990 /nfs/dbraw/zinc/69/89/90/945698990.db2.gz JJIBLLVOIXFFRN-WCQYABFASA-N -1 3 387.379 -0.198 20 0 GBADHM Cc1cc(C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2O)[nH]n1 ZINC001571274642 945698987 /nfs/dbraw/zinc/69/89/87/945698987.db2.gz JJIBLLVOIXFFRN-WCQYABFASA-N -1 3 387.379 -0.198 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)[nH]n1 ZINC001571274644 945699229 /nfs/dbraw/zinc/69/92/29/945699229.db2.gz JJIBLLVOIXFFRN-YPMHNXCESA-N -1 3 387.379 -0.198 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)[nH]n1 ZINC001571274644 945699226 /nfs/dbraw/zinc/69/92/26/945699226.db2.gz JJIBLLVOIXFFRN-YPMHNXCESA-N -1 3 387.379 -0.198 20 0 GBADHM CO[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1NC(=O)c1ccn(C)n1 ZINC001571274663 945699349 /nfs/dbraw/zinc/69/93/49/945699349.db2.gz JSINFCZIIMDSSZ-CHWSQXEVSA-N -1 3 387.379 -0.232 20 0 GBADHM CO[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1NC(=O)c1ccn(C)n1 ZINC001571274663 945699342 /nfs/dbraw/zinc/69/93/42/945699342.db2.gz JSINFCZIIMDSSZ-CHWSQXEVSA-N -1 3 387.379 -0.232 20 0 GBADHM COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001571274765 945699630 /nfs/dbraw/zinc/69/96/30/945699630.db2.gz KOMWMMGWEMHCGP-GHMZBOCLSA-N -1 3 387.356 -0.588 20 0 GBADHM COc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001571274765 945699621 /nfs/dbraw/zinc/69/96/21/945699621.db2.gz KOMWMMGWEMHCGP-GHMZBOCLSA-N -1 3 387.356 -0.588 20 0 GBADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CNC(=O)N1 ZINC001571274782 945700371 /nfs/dbraw/zinc/70/03/71/945700371.db2.gz KZZOMUFTCFTZPC-HKWIRBFKSA-N -1 3 387.379 -0.692 20 0 GBADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CNC(=O)N1 ZINC001571274782 945700364 /nfs/dbraw/zinc/70/03/64/945700364.db2.gz KZZOMUFTCFTZPC-HKWIRBFKSA-N -1 3 387.379 -0.692 20 0 GBADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CNC(=O)N1 ZINC001571274784 945701387 /nfs/dbraw/zinc/70/13/87/945701387.db2.gz KZZOMUFTCFTZPC-YJQGPUDQSA-N -1 3 387.379 -0.692 20 0 GBADHM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CNC(=O)N1 ZINC001571274784 945701382 /nfs/dbraw/zinc/70/13/82/945701382.db2.gz KZZOMUFTCFTZPC-YJQGPUDQSA-N -1 3 387.379 -0.692 20 0 GBADHM O=C(Cn1ncnn1)NC1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001571275046 945702760 /nfs/dbraw/zinc/70/27/60/945702760.db2.gz NPWAYCUSKLSPGR-UHFFFAOYSA-N -1 3 387.383 -0.073 20 0 GBADHM O=C(Cn1ncnn1)NC1CCC(Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001571275046 945702754 /nfs/dbraw/zinc/70/27/54/945702754.db2.gz NPWAYCUSKLSPGR-UHFFFAOYSA-N -1 3 387.383 -0.073 20 0 GBADHM O=C(Cn1cnnn1)N1CCC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571275075 945703225 /nfs/dbraw/zinc/70/32/25/945703225.db2.gz ODHDQQDVTWLPGR-JTQLQIEISA-N -1 3 387.383 -0.262 20 0 GBADHM O=C(Cn1cnnn1)N1CCC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571275075 945703221 /nfs/dbraw/zinc/70/32/21/945703221.db2.gz ODHDQQDVTWLPGR-JTQLQIEISA-N -1 3 387.383 -0.262 20 0 GBADHM O=C(Cn1cnnn1)N1CCC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571275076 945703755 /nfs/dbraw/zinc/70/37/55/945703755.db2.gz ODHDQQDVTWLPGR-SNVBAGLBSA-N -1 3 387.383 -0.262 20 0 GBADHM O=C(Cn1cnnn1)N1CCC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571275076 945703748 /nfs/dbraw/zinc/70/37/48/945703748.db2.gz ODHDQQDVTWLPGR-SNVBAGLBSA-N -1 3 387.383 -0.262 20 0 GBADHM Cn1nnc(C(=O)N[C@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC001571275078 945702959 /nfs/dbraw/zinc/70/29/59/945702959.db2.gz OHWNJMSSEPQHOH-JTQLQIEISA-N -1 3 387.383 -0.287 20 0 GBADHM Cn1nnc(C(=O)N[C@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)n1 ZINC001571275078 945702954 /nfs/dbraw/zinc/70/29/54/945702954.db2.gz OHWNJMSSEPQHOH-JTQLQIEISA-N -1 3 387.383 -0.287 20 0 GBADHM Cn1nnc(C(=O)N[C@@H]2CCCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)n1 ZINC001571275079 945702845 /nfs/dbraw/zinc/70/28/45/945702845.db2.gz OHWNJMSSEPQHOH-SNVBAGLBSA-N -1 3 387.383 -0.287 20 0 GBADHM Cn1nnc(C(=O)N[C@@H]2CCCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)n1 ZINC001571275079 945702842 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CC(C)c1nc(CN2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)no1 ZINC001571276191 945727851 /nfs/dbraw/zinc/72/78/51/945727851.db2.gz FBJQECLHOQRDNF-NEPJUHHUSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nc(CN2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)no1 ZINC001571276191 945727841 /nfs/dbraw/zinc/72/78/41/945727841.db2.gz FBJQECLHOQRDNF-NEPJUHHUSA-N -1 3 387.404 -0.324 20 0 GBADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)[C@@H]1COC(=O)N1 ZINC001571276218 945727058 /nfs/dbraw/zinc/72/70/58/945727058.db2.gz FPEWYNXFLKRDKT-KBPBESRZSA-N -1 3 387.400 -0.708 20 0 GBADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1)[C@@H]1COC(=O)N1 ZINC001571276218 945727055 /nfs/dbraw/zinc/72/70/55/945727055.db2.gz FPEWYNXFLKRDKT-KBPBESRZSA-N -1 3 387.400 -0.708 20 0 GBADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)[C@@H]1COC(=O)N1 ZINC001571276219 945726888 /nfs/dbraw/zinc/72/68/88/945726888.db2.gz FPEWYNXFLKRDKT-KGLIPLIRSA-N -1 3 387.400 -0.708 20 0 GBADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1)[C@@H]1COC(=O)N1 ZINC001571276219 945726883 /nfs/dbraw/zinc/72/68/83/945726883.db2.gz FPEWYNXFLKRDKT-KGLIPLIRSA-N -1 3 387.400 -0.708 20 0 GBADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)[C@H]1COC(=O)N1 ZINC001571276220 945728013 /nfs/dbraw/zinc/72/80/13/945728013.db2.gz FPEWYNXFLKRDKT-UONOGXRCSA-N -1 3 387.400 -0.708 20 0 GBADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1)[C@H]1COC(=O)N1 ZINC001571276220 945728006 /nfs/dbraw/zinc/72/80/06/945728006.db2.gz FPEWYNXFLKRDKT-UONOGXRCSA-N -1 3 387.400 -0.708 20 0 GBADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1)[C@H]1COC(=O)N1 ZINC001571276221 945728607 /nfs/dbraw/zinc/72/86/07/945728607.db2.gz FPEWYNXFLKRDKT-ZIAGYGMSSA-N -1 3 387.400 -0.708 20 0 GBADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1)[C@H]1COC(=O)N1 ZINC001571276221 945728598 /nfs/dbraw/zinc/72/85/98/945728598.db2.gz FPEWYNXFLKRDKT-ZIAGYGMSSA-N -1 3 387.400 -0.708 20 0 GBADHM 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O=C(NC[C@@H]1CN(CCN2CCCC2=O)CCO1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571287398 945971890 /nfs/dbraw/zinc/97/18/90/945971890.db2.gz CXZCQWRVNIHHHT-CYBMUJFWSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(NC[C@@H]1CN(CCN2CCCC2=O)CCO1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571287398 945971879 /nfs/dbraw/zinc/97/18/79/945971879.db2.gz CXZCQWRVNIHHHT-CYBMUJFWSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(NC[C@H]1CN(CCN2CCCC2=O)CCO1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571287399 945973281 /nfs/dbraw/zinc/97/32/81/945973281.db2.gz CXZCQWRVNIHHHT-ZDUSSCGKSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(NC[C@H]1CN(CCN2CCCC2=O)CCO1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571287399 945973277 /nfs/dbraw/zinc/97/32/77/945973277.db2.gz CXZCQWRVNIHHHT-ZDUSSCGKSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(CN1CCOCC1)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001571288052 945983132 /nfs/dbraw/zinc/98/31/32/945983132.db2.gz LTIHZTBMNKODLT-UHFFFAOYSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(CN1CCOCC1)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001571288052 945983121 /nfs/dbraw/zinc/98/31/21/945983121.db2.gz LTIHZTBMNKODLT-UHFFFAOYSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(CN1CCOCC1)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571288472 945989123 /nfs/dbraw/zinc/98/91/23/945989123.db2.gz PLAGDPYCKBLHPP-GFCCVEGCSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(CN1CCOCC1)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571288472 945989110 /nfs/dbraw/zinc/98/91/10/945989110.db2.gz PLAGDPYCKBLHPP-GFCCVEGCSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(CN1CCOCC1)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571288473 945987507 /nfs/dbraw/zinc/98/75/07/945987507.db2.gz PLAGDPYCKBLHPP-LBPRGKRZSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(CN1CCOCC1)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571288473 945987498 /nfs/dbraw/zinc/98/74/98/945987498.db2.gz PLAGDPYCKBLHPP-LBPRGKRZSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(NC[C@@H]1CN(CCN2CCCC2=O)CCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571288722 945990354 /nfs/dbraw/zinc/99/03/54/945990354.db2.gz RXBTTWLEIHSQNF-GFCCVEGCSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(NC[C@@H]1CN(CCN2CCCC2=O)CCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571288722 945990343 /nfs/dbraw/zinc/99/03/43/945990343.db2.gz RXBTTWLEIHSQNF-GFCCVEGCSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(NC[C@H]1CN(CCN2CCCC2=O)CCO1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571288723 945991417 /nfs/dbraw/zinc/99/14/17/945991417.db2.gz RXBTTWLEIHSQNF-LBPRGKRZSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(NC[C@H]1CN(CCN2CCCC2=O)CCO1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571288723 945991410 /nfs/dbraw/zinc/99/14/10/945991410.db2.gz RXBTTWLEIHSQNF-LBPRGKRZSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(CN1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)N1CCOCC1 ZINC001571288972 945995168 /nfs/dbraw/zinc/99/51/68/945995168.db2.gz VOFXGVQRESXYTJ-CYBMUJFWSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(CN1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)N1CCOCC1 ZINC001571288972 945995161 /nfs/dbraw/zinc/99/51/61/945995161.db2.gz VOFXGVQRESXYTJ-CYBMUJFWSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(CN1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)N1CCOCC1 ZINC001571289291 946000711 /nfs/dbraw/zinc/00/07/11/946000711.db2.gz YZURXRQBSVZHJN-UHFFFAOYSA-N -1 3 388.432 -0.752 20 0 GBADHM O=C(CN1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)N1CCOCC1 ZINC001571289291 946000697 /nfs/dbraw/zinc/00/06/97/946000697.db2.gz YZURXRQBSVZHJN-UHFFFAOYSA-N -1 3 388.432 -0.752 20 0 GBADHM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC(=O)N(C)C2)c1-c1nnn[n-]1 ZINC001571289522 946009584 /nfs/dbraw/zinc/00/95/84/946009584.db2.gz GSGRPJMCWZSCGH-DCAQKATOSA-N -1 3 388.457 -0.101 20 0 GBADHM Cc1nsc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC(=O)N(C)C2)c1-c1nnn[n-]1 ZINC001571289523 946009124 /nfs/dbraw/zinc/00/91/24/946009124.db2.gz GSGRPJMCWZSCGH-VWYCJHECSA-N -1 3 388.457 -0.101 20 0 GBADHM Cc1nccn1CC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001571289631 946012942 /nfs/dbraw/zinc/01/29/42/946012942.db2.gz JCJHYPWDGUBZFF-CHWSQXEVSA-N -1 3 388.457 -0.205 20 0 GBADHM CC(C)(CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)CS(N)(=O)=O 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Cc1nsc(N2C[C@@H]3CCN(C(=O)[C@H]4CCC(=O)N4)[C@@H]3C2)c1-c1nnn[n-]1 ZINC001571290154 946033092 /nfs/dbraw/zinc/03/30/92/946033092.db2.gz WHUFWUHTSHJHOV-HBNTYKKESA-N -1 3 388.457 -0.053 20 0 GBADHM CN1C[C@H](C(=O)N2CC[C@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)NC1=O ZINC001571291118 946068588 /nfs/dbraw/zinc/06/85/88/946068588.db2.gz CCJQZPDHPWHPQQ-BXKDBHETSA-N -1 3 389.395 -0.315 20 0 GBADHM CN1C[C@H](C(=O)N2CC[C@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)NC1=O ZINC001571291118 946068577 /nfs/dbraw/zinc/06/85/77/946068577.db2.gz CCJQZPDHPWHPQQ-BXKDBHETSA-N -1 3 389.395 -0.315 20 0 GBADHM CN1C[C@@H](C(=O)N2CC[C@@H](CNc3ncc(-c4nn[n-]n4)cc3F)C2)NC1=O ZINC001571291119 946068548 /nfs/dbraw/zinc/06/85/48/946068548.db2.gz CCJQZPDHPWHPQQ-CABZTGNLSA-N -1 3 389.395 -0.315 20 0 GBADHM CN1C[C@@H](C(=O)N2CC[C@@H](CNc3ncc(-c4nnn[n-]4)cc3F)C2)NC1=O ZINC001571291119 946068537 /nfs/dbraw/zinc/06/85/37/946068537.db2.gz CCJQZPDHPWHPQQ-CABZTGNLSA-N -1 3 389.395 -0.315 20 0 GBADHM 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ZINC001571291139 946067573 /nfs/dbraw/zinc/06/75/73/946067573.db2.gz CXJJZGIMTGDQHC-GZMMTYOYSA-N -1 3 389.401 -0.948 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2csnn2)C[C@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571291139 946067560 /nfs/dbraw/zinc/06/75/60/946067560.db2.gz CXJJZGIMTGDQHC-GZMMTYOYSA-N -1 3 389.401 -0.948 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2csnn2)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571291140 946069166 /nfs/dbraw/zinc/06/91/66/946069166.db2.gz CXJJZGIMTGDQHC-KCJUWKMLSA-N -1 3 389.401 -0.948 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2csnn2)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571291140 946069155 /nfs/dbraw/zinc/06/91/55/946069155.db2.gz CXJJZGIMTGDQHC-KCJUWKMLSA-N -1 3 389.401 -0.948 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2csnn2)C[C@@H]1O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571291141 946067640 /nfs/dbraw/zinc/06/76/40/946067640.db2.gz CXJJZGIMTGDQHC-KWQFWETISA-N -1 3 389.401 -0.948 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2csnn2)C[C@@H]1O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571291141 946067626 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FFVLPTKORRVHMA-NXEZZACHSA-N -1 3 389.401 -0.684 20 0 GBADHM O=C(CN1CCCNC1=O)N[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571291173 946069226 /nfs/dbraw/zinc/06/92/26/946069226.db2.gz FLIXETCNRXPFAM-PHIMTYICSA-N -1 3 389.395 -0.125 20 0 GBADHM O=C(CN1CCCNC1=O)N[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571291173 946069214 /nfs/dbraw/zinc/06/92/14/946069214.db2.gz FLIXETCNRXPFAM-PHIMTYICSA-N -1 3 389.395 -0.125 20 0 GBADHM CN(C[C@H]1CCN1C(=O)CO[C@@H]1CCOC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571291176 946072318 /nfs/dbraw/zinc/07/23/18/946072318.db2.gz FNBFEZQRIOHEQJ-CHWSQXEVSA-N -1 3 389.416 -0.327 20 0 GBADHM CN(C[C@H]1CCN1C(=O)CO[C@@H]1CCOC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571291176 946072310 /nfs/dbraw/zinc/07/23/10/946072310.db2.gz FNBFEZQRIOHEQJ-CHWSQXEVSA-N -1 3 389.416 -0.327 20 0 GBADHM CN(C[C@H]1CCN1C(=O)CO[C@H]1CCOC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571291177 946071081 /nfs/dbraw/zinc/07/10/81/946071081.db2.gz FNBFEZQRIOHEQJ-OLZOCXBDSA-N -1 3 389.416 -0.327 20 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O=C(CO)NCCC(=O)NC1CCC(Oc2ncccc2-c2nnn[n-]2)CC1 ZINC001571291192 946071913 /nfs/dbraw/zinc/07/19/13/946071913.db2.gz FVVFGIBHRDODDO-UHFFFAOYSA-N -1 3 389.416 -0.434 20 0 GBADHM C[C@@H]1OCCO[C@@H]1C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571291207 946072760 /nfs/dbraw/zinc/07/27/60/946072760.db2.gz GGLUYYNZMRDYBJ-WCDMZKEKSA-N -1 3 389.416 -0.282 20 0 GBADHM C[C@@H]1OCCO[C@@H]1C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571291207 946072753 /nfs/dbraw/zinc/07/27/53/946072753.db2.gz GGLUYYNZMRDYBJ-WCDMZKEKSA-N -1 3 389.416 -0.282 20 0 GBADHM O=C(NC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1COCCO1 ZINC001571291219 946072957 /nfs/dbraw/zinc/07/29/57/946072957.db2.gz GOSWUTLVJMBXTI-BXUZGUMPSA-N -1 3 389.416 -0.421 20 0 GBADHM O=C(NC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1COCCO1 ZINC001571291219 946072943 /nfs/dbraw/zinc/07/29/43/946072943.db2.gz GOSWUTLVJMBXTI-BXUZGUMPSA-N -1 3 389.416 -0.421 20 0 GBADHM 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O=C(NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1COCCO1 ZINC001571291222 946073047 /nfs/dbraw/zinc/07/30/47/946073047.db2.gz GOSWUTLVJMBXTI-SMDDNHRTSA-N -1 3 389.416 -0.421 20 0 GBADHM COc1ncc(NC(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1-c1nnn[n-]1 ZINC001571291229 946073201 /nfs/dbraw/zinc/07/32/01/946073201.db2.gz GSALHEFDHFJSEL-UHFFFAOYSA-N -1 3 389.420 -0.316 20 0 GBADHM O=C(NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571291234 946072470 /nfs/dbraw/zinc/07/24/70/946072470.db2.gz GYLZZEGJRDLCHG-CIQGVGRVSA-N -1 3 389.391 -0.385 20 0 GBADHM O=C(NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571291234 946072459 /nfs/dbraw/zinc/07/24/59/946072459.db2.gz GYLZZEGJRDLCHG-CIQGVGRVSA-N -1 3 389.391 -0.385 20 0 GBADHM O=C(NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571291235 946071468 /nfs/dbraw/zinc/07/14/68/946071468.db2.gz GYLZZEGJRDLCHG-NMKXLXIOSA-N -1 3 389.391 -0.385 20 0 GBADHM O=C(NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571291235 946071456 /nfs/dbraw/zinc/07/14/56/946071456.db2.gz GYLZZEGJRDLCHG-NMKXLXIOSA-N -1 3 389.391 -0.385 20 0 GBADHM COc1cc(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2O)on1 ZINC001571291253 946071804 /nfs/dbraw/zinc/07/18/04/946071804.db2.gz HMUPFYSZFSQPFS-MWLCHTKSSA-N -1 3 389.347 -0.018 20 0 GBADHM COc1cc(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2O)on1 ZINC001571291253 946071791 /nfs/dbraw/zinc/07/17/91/946071791.db2.gz HMUPFYSZFSQPFS-MWLCHTKSSA-N -1 3 389.347 -0.018 20 0 GBADHM O=C(c1c[nH]c(-c2nn[n-]n2)c1)N1CC[C@H]2CN(C(=O)[C@]3(F)CCOC3)C[C@H]21 ZINC001571291305 946075659 /nfs/dbraw/zinc/07/56/59/946075659.db2.gz IEMXYBKFJUAOHP-GDKCJGSASA-N -1 3 389.391 -0.004 20 0 GBADHM O=C(c1c[nH]c(-c2nnn[n-]2)c1)N1CC[C@H]2CN(C(=O)[C@]3(F)CCOC3)C[C@H]21 ZINC001571291305 946075646 /nfs/dbraw/zinc/07/56/46/946075646.db2.gz IEMXYBKFJUAOHP-GDKCJGSASA-N -1 3 389.391 -0.004 20 0 GBADHM 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389.416 -0.687 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571291602 946078670 /nfs/dbraw/zinc/07/86/70/946078670.db2.gz MMDKUWSDXGBSDJ-SMDDNHRTSA-N -1 3 389.416 -0.687 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)C2CCOCC2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571291602 946078652 /nfs/dbraw/zinc/07/86/52/946078652.db2.gz MMDKUWSDXGBSDJ-SMDDNHRTSA-N -1 3 389.416 -0.687 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NC(=O)c1cnsn1 ZINC001571291612 946076848 /nfs/dbraw/zinc/07/68/48/946076848.db2.gz MWTPRZDDUAXAHW-GHMZBOCLSA-N -1 3 389.401 -0.684 20 0 GBADHM CO[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)c1cnsn1 ZINC001571291612 946076834 /nfs/dbraw/zinc/07/68/34/946076834.db2.gz MWTPRZDDUAXAHW-GHMZBOCLSA-N -1 3 389.401 -0.684 20 0 GBADHM O=C(N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)[C@H]1CNC(=O)N1 ZINC001571291616 946079794 /nfs/dbraw/zinc/07/97/94/946079794.db2.gz MZXFWIYGIGCWLJ-CMPLNLGQSA-N -1 3 389.395 -0.443 20 0 GBADHM 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O=C(N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)[C@H]1CNC(=O)N1 ZINC001571291619 946081240 /nfs/dbraw/zinc/08/12/40/946081240.db2.gz MZXFWIYGIGCWLJ-ZYHUDNBSSA-N -1 3 389.395 -0.443 20 0 GBADHM O=C(N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)[C@H]1CNC(=O)N1 ZINC001571291619 946081228 /nfs/dbraw/zinc/08/12/28/946081228.db2.gz MZXFWIYGIGCWLJ-ZYHUDNBSSA-N -1 3 389.395 -0.443 20 0 GBADHM O=C(C[C@@H]1CCNC1=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001571291622 946079681 /nfs/dbraw/zinc/07/96/81/946079681.db2.gz NATSRFNNYZJNSP-NDMJEZRESA-N -1 3 389.391 -0.802 20 0 GBADHM O=C(C[C@@H]1CCNC1=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001571291622 946079666 /nfs/dbraw/zinc/07/96/66/946079666.db2.gz NATSRFNNYZJNSP-NDMJEZRESA-N -1 3 389.391 -0.802 20 0 GBADHM O=C(C[C@H]1CCNC1=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001571291623 946079606 /nfs/dbraw/zinc/07/96/06/946079606.db2.gz NATSRFNNYZJNSP-XWIASGKRSA-N -1 3 389.391 -0.802 20 0 GBADHM O=C(C[C@H]1CCNC1=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001571291623 946079594 /nfs/dbraw/zinc/07/95/94/946079594.db2.gz NATSRFNNYZJNSP-XWIASGKRSA-N -1 3 389.391 -0.802 20 0 GBADHM COc1nc(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nn[n-]n3)C[C@H]2O)co1 ZINC001571291633 946080301 /nfs/dbraw/zinc/08/03/01/946080301.db2.gz NJJDWFZPVDUJNK-BXKDBHETSA-N -1 3 389.347 -0.018 20 0 GBADHM COc1nc(C(=O)N[C@@H]2CN(c3cccc(F)c3-c3nnn[n-]3)C[C@H]2O)co1 ZINC001571291633 946080287 /nfs/dbraw/zinc/08/02/87/946080287.db2.gz NJJDWFZPVDUJNK-BXKDBHETSA-N -1 3 389.347 -0.018 20 0 GBADHM COC(=O)c1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCc1cnccn1 ZINC001571291636 946080261 /nfs/dbraw/zinc/08/02/61/946080261.db2.gz NMBLVGFWFSKMQQ-UHFFFAOYSA-N -1 3 389.397 -0.036 20 0 GBADHM COC(=O)c1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCc1cnccn1 ZINC001571291636 946080248 /nfs/dbraw/zinc/08/02/48/946080248.db2.gz NMBLVGFWFSKMQQ-UHFFFAOYSA-N -1 3 389.397 -0.036 20 0 GBADHM CCOC(=O)C[C@@H](O)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571291640 946081807 /nfs/dbraw/zinc/08/18/07/946081807.db2.gz NOAIODUVAYZSSV-CYBMUJFWSA-N -1 3 389.416 -0.339 20 0 GBADHM CCOC(=O)C[C@@H](O)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571291640 946081797 /nfs/dbraw/zinc/08/17/97/946081797.db2.gz NOAIODUVAYZSSV-CYBMUJFWSA-N -1 3 389.416 -0.339 20 0 GBADHM CCOC(=O)C[C@H](O)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571291641 946080604 /nfs/dbraw/zinc/08/06/04/946080604.db2.gz NOAIODUVAYZSSV-ZDUSSCGKSA-N -1 3 389.416 -0.339 20 0 GBADHM CCOC(=O)C[C@H](O)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571291641 946080592 /nfs/dbraw/zinc/08/05/92/946080592.db2.gz NOAIODUVAYZSSV-ZDUSSCGKSA-N -1 3 389.416 -0.339 20 0 GBADHM O=C(CC1OCCCO1)NC1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571291642 946081282 /nfs/dbraw/zinc/08/12/82/946081282.db2.gz NQELHQBCKWLWLY-UHFFFAOYSA-N -1 3 389.416 -0.028 20 0 GBADHM O=C(CC1OCCCO1)NC1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571291642 946081267 /nfs/dbraw/zinc/08/12/67/946081267.db2.gz NQELHQBCKWLWLY-UHFFFAOYSA-N -1 3 389.416 -0.028 20 0 GBADHM O=C(N[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001571291767 946080434 /nfs/dbraw/zinc/08/04/34/946080434.db2.gz OIJCNQQMYJBTLR-NRPADANISA-N -1 3 389.351 -0.942 20 0 GBADHM O=C(N[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)[C@@H]1CC(=O)NC(=O)N1 ZINC001571291767 946080424 /nfs/dbraw/zinc/08/04/24/946080424.db2.gz OIJCNQQMYJBTLR-NRPADANISA-N -1 3 389.351 -0.942 20 0 GBADHM O=C(N[C@@H]1[C@H]2CN(C(=O)C3(F)CCOCC3)C[C@H]21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571291775 946081626 /nfs/dbraw/zinc/08/16/26/946081626.db2.gz OKTWJPLPAXYXPR-PJXYFTJBSA-N -1 3 389.391 -0.100 20 0 GBADHM O=C(N[C@@H]1[C@H]2CN(C(=O)C3(F)CCOCC3)C[C@H]21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571291775 946081614 /nfs/dbraw/zinc/08/16/14/946081614.db2.gz OKTWJPLPAXYXPR-PJXYFTJBSA-N -1 3 389.391 -0.100 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C1CCC(O)CC1 ZINC001571291785 946080225 /nfs/dbraw/zinc/08/02/25/946080225.db2.gz OWKAJTLSCDRQTP-NZPNUOCISA-N -1 3 389.416 -0.953 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C1CCC(O)CC1 ZINC001571291785 946080215 /nfs/dbraw/zinc/08/02/15/946080215.db2.gz OWKAJTLSCDRQTP-NZPNUOCISA-N -1 3 389.416 -0.953 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)O1 ZINC001571291802 946083700 /nfs/dbraw/zinc/08/37/00/946083700.db2.gz PPMSXPHYWWSZKZ-UONOGXRCSA-N -1 3 389.391 -0.661 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC2CN(Cc3ccc(-c4nnn[n-]4)c(F)c3)C2)O1 ZINC001571291802 946083690 /nfs/dbraw/zinc/08/36/90/946083690.db2.gz PPMSXPHYWWSZKZ-UONOGXRCSA-N -1 3 389.391 -0.661 20 0 GBADHM CO[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1NC(=O)c1csnn1 ZINC001571291807 946083089 /nfs/dbraw/zinc/08/30/89/946083089.db2.gz PWXSJPOQEMWPCC-MWLCHTKSSA-N -1 3 389.401 -0.684 20 0 GBADHM CO[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1NC(=O)c1csnn1 ZINC001571291807 946083078 /nfs/dbraw/zinc/08/30/78/946083078.db2.gz PWXSJPOQEMWPCC-MWLCHTKSSA-N -1 3 389.401 -0.684 20 0 GBADHM Cc1nonc1C(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001571291809 946084327 /nfs/dbraw/zinc/08/43/27/946084327.db2.gz PZMGVJBSQRHXBB-JTQLQIEISA-N -1 3 389.351 -0.273 20 0 GBADHM Cc1nonc1C(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001571291809 946084314 /nfs/dbraw/zinc/08/43/14/946084314.db2.gz PZMGVJBSQRHXBB-JTQLQIEISA-N -1 3 389.351 -0.273 20 0 GBADHM Cc1nonc1C(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001571291810 946082784 /nfs/dbraw/zinc/08/27/84/946082784.db2.gz PZMGVJBSQRHXBB-SNVBAGLBSA-N -1 3 389.351 -0.273 20 0 GBADHM Cc1nonc1C(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001571291810 946082772 /nfs/dbraw/zinc/08/27/72/946082772.db2.gz PZMGVJBSQRHXBB-SNVBAGLBSA-N -1 3 389.351 -0.273 20 0 GBADHM C[C@](O)(CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C1CC1 ZINC001571291838 946084297 /nfs/dbraw/zinc/08/42/97/946084297.db2.gz QXDLVGNTUSNVTP-IGCXYCKISA-N -1 3 389.416 -0.953 20 0 GBADHM C[C@](O)(CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C1CC1 ZINC001571291838 946084282 /nfs/dbraw/zinc/08/42/82/946084282.db2.gz QXDLVGNTUSNVTP-IGCXYCKISA-N -1 3 389.416 -0.953 20 0 GBADHM C[C@@](O)(CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C1CC1 ZINC001571291839 946084258 /nfs/dbraw/zinc/08/42/58/946084258.db2.gz QXDLVGNTUSNVTP-IIYDPXPESA-N -1 3 389.416 -0.953 20 0 GBADHM C[C@@](O)(CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C1CC1 ZINC001571291839 946084247 /nfs/dbraw/zinc/08/42/47/946084247.db2.gz QXDLVGNTUSNVTP-IIYDPXPESA-N -1 3 389.416 -0.953 20 0 GBADHM C[C@@](O)(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001571291840 946084835 /nfs/dbraw/zinc/08/48/35/946084835.db2.gz QXDLVGNTUSNVTP-PBFPGSCMSA-N -1 3 389.416 -0.953 20 0 GBADHM C[C@@](O)(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001571291840 946084825 /nfs/dbraw/zinc/08/48/25/946084825.db2.gz QXDLVGNTUSNVTP-PBFPGSCMSA-N -1 3 389.416 -0.953 20 0 GBADHM C[C@](O)(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C1CC1 ZINC001571291841 946084872 /nfs/dbraw/zinc/08/48/72/946084872.db2.gz QXDLVGNTUSNVTP-XNJGSVPQSA-N -1 3 389.416 -0.953 20 0 GBADHM C[C@](O)(CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C1CC1 ZINC001571291841 946084862 /nfs/dbraw/zinc/08/48/62/946084862.db2.gz QXDLVGNTUSNVTP-XNJGSVPQSA-N -1 3 389.416 -0.953 20 0 GBADHM CO[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571291843 946084021 /nfs/dbraw/zinc/08/40/21/946084021.db2.gz QYFRULPUORMNCY-CHWSQXEVSA-N -1 3 389.416 -0.545 20 0 GBADHM CO[C@@H]1CN(C(=O)CC2(O)CCC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571291843 946084008 /nfs/dbraw/zinc/08/40/08/946084008.db2.gz QYFRULPUORMNCY-CHWSQXEVSA-N -1 3 389.416 -0.545 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](CNC(=O)[C@H]3COCCO3)C2)n1 ZINC001571291849 946082978 /nfs/dbraw/zinc/08/29/78/946082978.db2.gz RAUDYVXURBBHPB-GXTWGEPZSA-N -1 3 389.416 -0.693 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](CNC(=O)[C@H]3COCCO3)C2)n1 ZINC001571291849 946082966 /nfs/dbraw/zinc/08/29/66/946082966.db2.gz RAUDYVXURBBHPB-GXTWGEPZSA-N -1 3 389.416 -0.693 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@@H](CNC(=O)[C@@H]3COCCO3)C2)n1 ZINC001571291850 946082457 /nfs/dbraw/zinc/08/24/57/946082457.db2.gz RAUDYVXURBBHPB-JSGCOSHPSA-N -1 3 389.416 -0.693 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@@H](CNC(=O)[C@@H]3COCCO3)C2)n1 ZINC001571291850 946082444 /nfs/dbraw/zinc/08/24/44/946082444.db2.gz RAUDYVXURBBHPB-JSGCOSHPSA-N -1 3 389.416 -0.693 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@H](CNC(=O)[C@@H]3COCCO3)C2)n1 ZINC001571291851 946083639 /nfs/dbraw/zinc/08/36/39/946083639.db2.gz RAUDYVXURBBHPB-OCCSQVGLSA-N -1 3 389.416 -0.693 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@H](CNC(=O)[C@@H]3COCCO3)C2)n1 ZINC001571291851 946083627 /nfs/dbraw/zinc/08/36/27/946083627.db2.gz RAUDYVXURBBHPB-OCCSQVGLSA-N -1 3 389.416 -0.693 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCO[C@H](CNC(=O)[C@H]3COCCO3)C2)n1 ZINC001571291852 946084500 /nfs/dbraw/zinc/08/45/00/946084500.db2.gz RAUDYVXURBBHPB-TZMCWYRMSA-N -1 3 389.416 -0.693 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCO[C@H](CNC(=O)[C@H]3COCCO3)C2)n1 ZINC001571291852 946084488 /nfs/dbraw/zinc/08/44/88/946084488.db2.gz RAUDYVXURBBHPB-TZMCWYRMSA-N -1 3 389.416 -0.693 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2csnn2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571291860 946084663 /nfs/dbraw/zinc/08/46/63/946084663.db2.gz RLFWZOLHNZESCO-CPCISQLKSA-N -1 3 389.401 -0.948 20 0 GBADHM O=C(N[C@H]1CCN(C(=O)c2csnn2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571291860 946084649 /nfs/dbraw/zinc/08/46/49/946084649.db2.gz RLFWZOLHNZESCO-CPCISQLKSA-N -1 3 389.401 -0.948 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2csnn2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571291861 946083304 /nfs/dbraw/zinc/08/33/04/946083304.db2.gz RLFWZOLHNZESCO-HQJQHLMTSA-N -1 3 389.401 -0.948 20 0 GBADHM O=C(N[C@@H]1CCN(C(=O)c2csnn2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571291861 946083293 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RSVYPPOYSSSGMA-GXTWGEPZSA-N -1 3 389.416 -0.611 20 0 GBADHM O=C(NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1)[C@@H]1COCCO1 ZINC001571291979 946087548 /nfs/dbraw/zinc/08/75/48/946087548.db2.gz RSVYPPOYSSSGMA-JSGCOSHPSA-N -1 3 389.416 -0.611 20 0 GBADHM O=C(NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1)[C@@H]1COCCO1 ZINC001571291979 946087535 /nfs/dbraw/zinc/08/75/35/946087535.db2.gz RSVYPPOYSSSGMA-JSGCOSHPSA-N -1 3 389.416 -0.611 20 0 GBADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1)[C@@H]1COCCO1 ZINC001571291980 946086232 /nfs/dbraw/zinc/08/62/32/946086232.db2.gz RSVYPPOYSSSGMA-OCCSQVGLSA-N -1 3 389.416 -0.611 20 0 GBADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1)[C@@H]1COCCO1 ZINC001571291980 946086223 /nfs/dbraw/zinc/08/62/23/946086223.db2.gz RSVYPPOYSSSGMA-OCCSQVGLSA-N -1 3 389.416 -0.611 20 0 GBADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1)[C@H]1COCCO1 ZINC001571291981 946087759 /nfs/dbraw/zinc/08/77/59/946087759.db2.gz RSVYPPOYSSSGMA-TZMCWYRMSA-N -1 3 389.416 -0.611 20 0 GBADHM O=C(NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1)[C@H]1COCCO1 ZINC001571291981 946087752 /nfs/dbraw/zinc/08/77/52/946087752.db2.gz RSVYPPOYSSSGMA-TZMCWYRMSA-N -1 3 389.416 -0.611 20 0 GBADHM O=C(CC[C@@H]1CCCO1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571291983 946087995 /nfs/dbraw/zinc/08/79/95/946087995.db2.gz RTINNYOQAGPXTL-IACUBPJLSA-N -1 3 389.416 -0.545 20 0 GBADHM O=C(CC[C@@H]1CCCO1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571291983 946087984 /nfs/dbraw/zinc/08/79/84/946087984.db2.gz RTINNYOQAGPXTL-IACUBPJLSA-N -1 3 389.416 -0.545 20 0 GBADHM O=C(CC[C@H]1CCCO1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571291984 946087729 /nfs/dbraw/zinc/08/77/29/946087729.db2.gz RTINNYOQAGPXTL-MRVWCRGKSA-N -1 3 389.416 -0.545 20 0 GBADHM O=C(CC[C@H]1CCCO1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571291984 946087717 /nfs/dbraw/zinc/08/77/17/946087717.db2.gz RTINNYOQAGPXTL-MRVWCRGKSA-N -1 3 389.416 -0.545 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nn[n-]n3)C2)O1 ZINC001571291997 946086336 /nfs/dbraw/zinc/08/63/36/946086336.db2.gz SIOUOSJXLJMXKW-JIMOISOXSA-N -1 3 389.391 -0.266 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3cccc(F)c3-c3nnn[n-]3)C2)O1 ZINC001571291997 946086323 /nfs/dbraw/zinc/08/63/23/946086323.db2.gz SIOUOSJXLJMXKW-JIMOISOXSA-N -1 3 389.391 -0.266 20 0 GBADHM CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001571291998 946087653 /nfs/dbraw/zinc/08/76/53/946087653.db2.gz SKMHQIVIMYYXTR-JXJLXUTGSA-N -1 3 389.416 -0.689 20 0 GBADHM CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001571291998 946087640 /nfs/dbraw/zinc/08/76/40/946087640.db2.gz SKMHQIVIMYYXTR-JXJLXUTGSA-N -1 3 389.416 -0.689 20 0 GBADHM CO[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571291999 946085742 /nfs/dbraw/zinc/08/57/42/946085742.db2.gz SLTQUGKUTPFMCZ-VXGBXAGGSA-N -1 3 389.372 -0.961 20 0 GBADHM CO[C@@H]1CN(C(=O)C2=COCCO2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571291999 946085729 /nfs/dbraw/zinc/08/57/29/946085729.db2.gz SLTQUGKUTPFMCZ-VXGBXAGGSA-N -1 3 389.372 -0.961 20 0 GBADHM CN(C[C@@H]1CCCN1C(=O)[C@H]1COCCO1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571292005 946087510 /nfs/dbraw/zinc/08/75/10/946087510.db2.gz SOVLYEAUUIGLMW-GXTWGEPZSA-N -1 3 389.416 -0.327 20 0 GBADHM CN(C[C@@H]1CCCN1C(=O)[C@H]1COCCO1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571292005 946087498 /nfs/dbraw/zinc/08/74/98/946087498.db2.gz SOVLYEAUUIGLMW-GXTWGEPZSA-N -1 3 389.416 -0.327 20 0 GBADHM CN(C[C@@H]1CCCN1C(=O)[C@@H]1COCCO1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571292006 946087228 /nfs/dbraw/zinc/08/72/28/946087228.db2.gz SOVLYEAUUIGLMW-JSGCOSHPSA-N -1 3 389.416 -0.327 20 0 GBADHM CN(C[C@@H]1CCCN1C(=O)[C@@H]1COCCO1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571292006 946087217 /nfs/dbraw/zinc/08/72/17/946087217.db2.gz SOVLYEAUUIGLMW-JSGCOSHPSA-N -1 3 389.416 -0.327 20 0 GBADHM CN(C[C@H]1CCCN1C(=O)[C@@H]1COCCO1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571292007 946086297 /nfs/dbraw/zinc/08/62/97/946086297.db2.gz SOVLYEAUUIGLMW-OCCSQVGLSA-N -1 3 389.416 -0.327 20 0 GBADHM CN(C[C@H]1CCCN1C(=O)[C@@H]1COCCO1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571292007 946086284 /nfs/dbraw/zinc/08/62/84/946086284.db2.gz SOVLYEAUUIGLMW-OCCSQVGLSA-N -1 3 389.416 -0.327 20 0 GBADHM CN(C[C@H]1CCCN1C(=O)[C@H]1COCCO1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571292008 946085614 /nfs/dbraw/zinc/08/56/14/946085614.db2.gz SOVLYEAUUIGLMW-TZMCWYRMSA-N -1 3 389.416 -0.327 20 0 GBADHM CN(C[C@H]1CCCN1C(=O)[C@H]1COCCO1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571292008 946085603 /nfs/dbraw/zinc/08/56/03/946085603.db2.gz SOVLYEAUUIGLMW-TZMCWYRMSA-N -1 3 389.416 -0.327 20 0 GBADHM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571292015 946087583 /nfs/dbraw/zinc/08/75/83/946087583.db2.gz SSJKZIFMUGPBQP-WRZDFSGXSA-N -1 3 389.416 -0.377 20 0 GBADHM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571292015 946087573 /nfs/dbraw/zinc/08/75/73/946087573.db2.gz SSJKZIFMUGPBQP-WRZDFSGXSA-N -1 3 389.416 -0.377 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)CCCOC1 ZINC001571292020 946086440 /nfs/dbraw/zinc/08/64/40/946086440.db2.gz STTQHRIYXOQTHI-IGCXYCKISA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)CCCOC1 ZINC001571292020 946086428 /nfs/dbraw/zinc/08/64/28/946086428.db2.gz STTQHRIYXOQTHI-IGCXYCKISA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2O)CCCOC1 ZINC001571292021 946086995 /nfs/dbraw/zinc/08/69/95/946086995.db2.gz STTQHRIYXOQTHI-IIYDPXPESA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2O)CCCOC1 ZINC001571292021 946086984 /nfs/dbraw/zinc/08/69/84/946086984.db2.gz STTQHRIYXOQTHI-IIYDPXPESA-N -1 3 389.416 -0.687 20 0 GBADHM 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CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)[C@H]1COCCO1 ZINC001571292194 946089815 /nfs/dbraw/zinc/08/98/15/946089815.db2.gz VFYCVPUXQHJASC-IACUBPJLSA-N -1 3 389.416 -0.281 20 0 GBADHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)[C@H]1COCCO1 ZINC001571292194 946089804 /nfs/dbraw/zinc/08/98/04/946089804.db2.gz VFYCVPUXQHJASC-IACUBPJLSA-N -1 3 389.416 -0.281 20 0 GBADHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)[C@@H]1COCCO1 ZINC001571292195 946089222 /nfs/dbraw/zinc/08/92/22/946089222.db2.gz VFYCVPUXQHJASC-YUTCNCBUSA-N -1 3 389.416 -0.281 20 0 GBADHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)[C@@H]1COCCO1 ZINC001571292195 946089209 /nfs/dbraw/zinc/08/92/09/946089209.db2.gz VFYCVPUXQHJASC-YUTCNCBUSA-N -1 3 389.416 -0.281 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)CCCOC1 ZINC001571292208 946090860 /nfs/dbraw/zinc/09/08/60/946090860.db2.gz VLYARWYRJIHJEW-IGCXYCKISA-N -1 3 389.416 -0.687 20 0 GBADHM 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O=C(CC[C@@H]1CCOC1)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001571292221 946090796 /nfs/dbraw/zinc/09/07/96/946090796.db2.gz VRPAMTIJWZARHF-HONMWMINSA-N -1 3 389.416 -0.687 20 0 GBADHM O=C(CC[C@@H]1CCOC1)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001571292221 946090787 /nfs/dbraw/zinc/09/07/87/946090787.db2.gz VRPAMTIJWZARHF-HONMWMINSA-N -1 3 389.416 -0.687 20 0 GBADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001571292227 946088755 /nfs/dbraw/zinc/08/87/55/946088755.db2.gz VWGYANOAHLCVHI-AWEZNQCLSA-N -1 3 389.416 -0.327 20 0 GBADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(C(=O)[C@@H]2COCCO2)CC1 ZINC001571292227 946088743 /nfs/dbraw/zinc/08/87/43/946088743.db2.gz VWGYANOAHLCVHI-AWEZNQCLSA-N -1 3 389.416 -0.327 20 0 GBADHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001571292228 946090684 /nfs/dbraw/zinc/09/06/84/946090684.db2.gz VWGYANOAHLCVHI-CQSZACIVSA-N -1 3 389.416 -0.327 20 0 GBADHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(C(=O)[C@H]2COCCO2)CC1 ZINC001571292228 946090674 /nfs/dbraw/zinc/09/06/74/946090674.db2.gz VWGYANOAHLCVHI-CQSZACIVSA-N -1 3 389.416 -0.327 20 0 GBADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001571292236 946094108 /nfs/dbraw/zinc/09/41/08/946094108.db2.gz WFPYLSYUYDJTII-MCIONIFRSA-N -1 3 389.416 -0.695 20 0 GBADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@H]1COCCO1 ZINC001571292236 946094096 /nfs/dbraw/zinc/09/40/96/946094096.db2.gz WFPYLSYUYDJTII-MCIONIFRSA-N -1 3 389.416 -0.695 20 0 GBADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001571292237 946091801 /nfs/dbraw/zinc/09/18/01/946091801.db2.gz WFPYLSYUYDJTII-MGPQQGTHSA-N -1 3 389.416 -0.695 20 0 GBADHM CO[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H]1COCCO1 ZINC001571292237 946091791 /nfs/dbraw/zinc/09/17/91/946091791.db2.gz WFPYLSYUYDJTII-MGPQQGTHSA-N -1 3 389.416 -0.695 20 0 GBADHM C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571292238 946093725 /nfs/dbraw/zinc/09/37/25/946093725.db2.gz WGLMHVCYBIXHGX-MPKXVKKWSA-N -1 3 389.416 -0.566 20 0 GBADHM C[C@@H]1CN(C(=O)[C@H]2COCCO2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571292238 946093710 /nfs/dbraw/zinc/09/37/10/946093710.db2.gz WGLMHVCYBIXHGX-MPKXVKKWSA-N -1 3 389.416 -0.566 20 0 GBADHM C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571292239 946093275 /nfs/dbraw/zinc/09/32/75/946093275.db2.gz WGLMHVCYBIXHGX-QKCSRTOESA-N -1 3 389.416 -0.566 20 0 GBADHM C[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571292239 946093261 /nfs/dbraw/zinc/09/32/61/946093261.db2.gz WGLMHVCYBIXHGX-QKCSRTOESA-N -1 3 389.416 -0.566 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(-c4nn[n-]n4)cc3F)CC2)O1 ZINC001571292249 946093062 /nfs/dbraw/zinc/09/30/62/946093062.db2.gz WMCZRRLYFCISMX-UONOGXRCSA-N -1 3 389.391 -0.313 20 0 GBADHM CO[C@@H]1CN(C(=O)c2cnns2)C[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001571292252 946091730 /nfs/dbraw/zinc/09/17/30/946091730.db2.gz WPLQAIKLLNPBOD-NXEZZACHSA-N -1 3 389.401 -0.684 20 0 GBADHM CO[C@@H]1CN(C(=O)c2cnns2)C[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001571292252 946091720 /nfs/dbraw/zinc/09/17/20/946091720.db2.gz WPLQAIKLLNPBOD-NXEZZACHSA-N -1 3 389.401 -0.684 20 0 GBADHM CO[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCOC1 ZINC001571292309 946093432 /nfs/dbraw/zinc/09/34/32/946093432.db2.gz XOZWVCDMGYVNAS-BXUZGUMPSA-N -1 3 389.416 -0.469 20 0 GBADHM CO[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCOC1 ZINC001571292309 946093423 /nfs/dbraw/zinc/09/34/23/946093423.db2.gz XOZWVCDMGYVNAS-BXUZGUMPSA-N -1 3 389.416 -0.469 20 0 GBADHM CO[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@H]1CCOC1 ZINC001571292316 946092799 /nfs/dbraw/zinc/09/27/99/946092799.db2.gz XOZWVCDMGYVNAS-FZMZJTMJSA-N -1 3 389.416 -0.469 20 0 GBADHM CO[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@H]1CCOC1 ZINC001571292316 946092787 /nfs/dbraw/zinc/09/27/87/946092787.db2.gz XOZWVCDMGYVNAS-FZMZJTMJSA-N -1 3 389.416 -0.469 20 0 GBADHM CO[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCOC1 ZINC001571292318 946092953 /nfs/dbraw/zinc/09/29/53/946092953.db2.gz XOZWVCDMGYVNAS-RISCZKNCSA-N -1 3 389.416 -0.469 20 0 GBADHM CO[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCOC1 ZINC001571292318 946092943 /nfs/dbraw/zinc/09/29/43/946092943.db2.gz XOZWVCDMGYVNAS-RISCZKNCSA-N -1 3 389.416 -0.469 20 0 GBADHM CO[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@H]1CCOC1 ZINC001571292321 946092291 /nfs/dbraw/zinc/09/22/91/946092291.db2.gz XOZWVCDMGYVNAS-SMDDNHRTSA-N -1 3 389.416 -0.469 20 0 GBADHM CO[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@H]1CCOC1 ZINC001571292321 946092278 /nfs/dbraw/zinc/09/22/78/946092278.db2.gz XOZWVCDMGYVNAS-SMDDNHRTSA-N -1 3 389.416 -0.469 20 0 GBADHM O=C(CN1CCCC1=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001571292347 946092213 /nfs/dbraw/zinc/09/22/13/946092213.db2.gz YDHBSRBSIMIGKE-DGCLKSJQSA-N -1 3 389.391 -0.706 20 0 GBADHM O=C(CN1CCCC1=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001571292347 946092199 /nfs/dbraw/zinc/09/21/99/946092199.db2.gz YDHBSRBSIMIGKE-DGCLKSJQSA-N -1 3 389.391 -0.706 20 0 GBADHM O=C(c1cnon1)N1CCC[C@](CO)(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571292351 946092562 /nfs/dbraw/zinc/09/25/62/946092562.db2.gz YGDRHIGAHCWUFZ-HNNXBMFYSA-N -1 3 389.351 -0.137 20 0 GBADHM O=C(c1cnon1)N1CCC[C@](CO)(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571292351 946092549 /nfs/dbraw/zinc/09/25/49/946092549.db2.gz YGDRHIGAHCWUFZ-HNNXBMFYSA-N -1 3 389.351 -0.137 20 0 GBADHM O=C(c1cnon1)N1CCC[C@@](CO)(Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001571292352 946092061 /nfs/dbraw/zinc/09/20/61/946092061.db2.gz YGDRHIGAHCWUFZ-OAHLLOKOSA-N -1 3 389.351 -0.137 20 0 GBADHM O=C(c1cnon1)N1CCC[C@@](CO)(Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001571292352 946092053 /nfs/dbraw/zinc/09/20/53/946092053.db2.gz YGDRHIGAHCWUFZ-OAHLLOKOSA-N -1 3 389.351 -0.137 20 0 GBADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001571292445 946095687 /nfs/dbraw/zinc/09/56/87/946095687.db2.gz ZMIHLUQBRMFRIJ-QWRGUYRKSA-N -1 3 389.416 -0.225 20 0 GBADHM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001571292445 946095675 /nfs/dbraw/zinc/09/56/75/946095675.db2.gz ZMIHLUQBRMFRIJ-QWRGUYRKSA-N -1 3 389.416 -0.225 20 0 GBADHM O=C(N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F)[C@H]1CNC(=O)N1 ZINC001571292460 946095496 /nfs/dbraw/zinc/09/54/96/946095496.db2.gz ZUAKMGWICNRARR-IJLUTSLNSA-N -1 3 389.395 -0.079 20 0 GBADHM O=C(N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1F)[C@H]1CNC(=O)N1 ZINC001571292460 946095486 /nfs/dbraw/zinc/09/54/86/946095486.db2.gz ZUAKMGWICNRARR-IJLUTSLNSA-N -1 3 389.395 -0.079 20 0 GBADHM O=C(N[C@@H]1CCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CNC(=O)N1 ZINC001571292461 946095871 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CDYBAIAGHNBKPL-VXGBXAGGSA-N -1 3 389.445 -0.314 20 0 GBADHM Cc1nsc(N2CCC(N(C)C(=O)Cn3cnnn3)CC2)c1-c1nnn[n-]1 ZINC001571293258 946100514 /nfs/dbraw/zinc/10/05/14/946100514.db2.gz CMRJGSOYDVPIMQ-UHFFFAOYSA-N -1 3 389.449 -0.254 20 0 GBADHM CCn1nncc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O ZINC001571293280 946100476 /nfs/dbraw/zinc/10/04/76/946100476.db2.gz DFHVDTLJAGYGRU-PWSUYJOCSA-N -1 3 389.445 -0.485 20 0 GBADHM CCn1nncc1C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001571293280 946100469 /nfs/dbraw/zinc/10/04/69/946100469.db2.gz DFHVDTLJAGYGRU-PWSUYJOCSA-N -1 3 389.445 -0.485 20 0 GBADHM CCCc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571293285 946101522 /nfs/dbraw/zinc/10/15/22/946101522.db2.gz DHONZWQDVMBHHN-GHMZBOCLSA-N -1 3 389.445 -0.022 20 0 GBADHM CCCc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571293285 946101517 /nfs/dbraw/zinc/10/15/17/946101517.db2.gz DHONZWQDVMBHHN-GHMZBOCLSA-N -1 3 389.445 -0.022 20 0 GBADHM 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GBADHM CCCc1nsc(N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)n1 ZINC001571293392 946103086 /nfs/dbraw/zinc/10/30/86/946103086.db2.gz GYWWXYZPRMAJTB-MNOVXSKESA-N -1 3 389.445 -0.022 20 0 GBADHM CCCc1nsc(N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)n1 ZINC001571293392 946103079 /nfs/dbraw/zinc/10/30/79/946103079.db2.gz GYWWXYZPRMAJTB-MNOVXSKESA-N -1 3 389.445 -0.022 20 0 GBADHM O=C(C1CS(=O)(=O)C1)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1 ZINC001571293416 946105794 /nfs/dbraw/zinc/10/57/94/946105794.db2.gz HTFCLGQJTRJCHH-TXEJJXNPSA-N -1 3 389.441 -0.514 20 0 GBADHM O=C(C1CS(=O)(=O)C1)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1 ZINC001571293416 946105786 /nfs/dbraw/zinc/10/57/86/946105786.db2.gz HTFCLGQJTRJCHH-TXEJJXNPSA-N -1 3 389.441 -0.514 20 0 GBADHM Cc1nnc([C@H](C)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)s1 ZINC001571293517 946108007 /nfs/dbraw/zinc/10/80/07/946108007.db2.gz KFNSORSADOXJGU-BPTDKIDVSA-N -1 3 389.445 -0.109 20 0 GBADHM 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O=C(CC1CS(=O)(=O)C1)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001571293632 946110898 /nfs/dbraw/zinc/11/08/98/946110898.db2.gz NKRIIKKXCSDCFT-STQMWFEESA-N -1 3 389.441 -0.514 20 0 GBADHM CN(C(=O)CN1CCOCC1)C1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001571293660 946113300 /nfs/dbraw/zinc/11/33/00/946113300.db2.gz OKYNFTXFCATFEM-UHFFFAOYSA-N -1 3 389.435 -0.019 20 0 GBADHM CN(C(=O)CN1CCOCC1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001571293660 946113294 /nfs/dbraw/zinc/11/32/94/946113294.db2.gz OKYNFTXFCATFEM-UHFFFAOYSA-N -1 3 389.435 -0.019 20 0 GBADHM CN(C(=O)CN1CCOCC1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001571293729 946114049 /nfs/dbraw/zinc/11/40/49/946114049.db2.gz QBBPMSUIUOQMIG-UHFFFAOYSA-N -1 3 389.435 -0.019 20 0 GBADHM CN(C(=O)CN1CCOCC1)C1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001571293729 946114041 /nfs/dbraw/zinc/11/40/41/946114041.db2.gz QBBPMSUIUOQMIG-UHFFFAOYSA-N -1 3 389.435 -0.019 20 0 GBADHM Cc1nsc(N2CC[C@H](NC(=O)c3cn(C)c(=O)n3C)C2)c1-c1nnn[n-]1 ZINC001571293757 946115432 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20 0 GBADHM CN(CCN(C)c1nnccc1-c1nn[n-]n1)c1ccc(S(N)(=O)=O)cc1 ZINC001571293775 946115620 /nfs/dbraw/zinc/11/56/20/946115620.db2.gz RFMCFSIGTGPIRJ-UHFFFAOYSA-N -1 3 389.445 -0.123 20 0 GBADHM CN(CCN(C)c1nnccc1-c1nnn[n-]1)c1ccc(S(N)(=O)=O)cc1 ZINC001571293775 946115614 /nfs/dbraw/zinc/11/56/14/946115614.db2.gz RFMCFSIGTGPIRJ-UHFFFAOYSA-N -1 3 389.445 -0.123 20 0 GBADHM Cc1cnn(C)c1C(=O)N[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1O ZINC001571293778 946115706 /nfs/dbraw/zinc/11/57/06/946115706.db2.gz RJJAPAQBVALHFM-NXEZZACHSA-N -1 3 389.445 -0.347 20 0 GBADHM Cc1nnsc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001571293853 946117445 /nfs/dbraw/zinc/11/74/45/946117445.db2.gz UCUBBNQKWGGBMB-CMPLNLGQSA-N -1 3 389.445 -0.280 20 0 GBADHM Cc1nnsc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001571293853 946117435 /nfs/dbraw/zinc/11/74/35/946117435.db2.gz UCUBBNQKWGGBMB-CMPLNLGQSA-N -1 3 389.445 -0.280 20 0 GBADHM Cc1nnsc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 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/nfs/dbraw/zinc/11/84/34/946118434.db2.gz UCUBBNQKWGGBMB-ZYHUDNBSSA-N -1 3 389.445 -0.280 20 0 GBADHM C[S@@](=N)(=O)N1CCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001571293876 946117387 /nfs/dbraw/zinc/11/73/87/946117387.db2.gz URGGYZCEYLJPCE-DEOSSOPVSA-N -1 3 389.438 -0.096 20 0 GBADHM C[S@@](=N)(=O)N1CCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001571293876 946117381 /nfs/dbraw/zinc/11/73/81/946117381.db2.gz URGGYZCEYLJPCE-DEOSSOPVSA-N -1 3 389.438 -0.096 20 0 GBADHM C[S@](=N)(=O)N1CCN(S(=O)(=O)c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001571293877 946118148 /nfs/dbraw/zinc/11/81/48/946118148.db2.gz URGGYZCEYLJPCE-XMMPIXPASA-N -1 3 389.438 -0.096 20 0 GBADHM C[S@](=N)(=O)N1CCN(S(=O)(=O)c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001571293877 946118138 /nfs/dbraw/zinc/11/81/38/946118138.db2.gz URGGYZCEYLJPCE-XMMPIXPASA-N -1 3 389.438 -0.096 20 0 GBADHM CCc1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)s1 ZINC001571293908 946120219 /nfs/dbraw/zinc/12/02/19/946120219.db2.gz VOBRHBFRCZOUBR-GHMZBOCLSA-N -1 3 389.445 -0.416 20 0 GBADHM CCc1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)s1 ZINC001571293908 946120210 /nfs/dbraw/zinc/12/02/10/946120210.db2.gz VOBRHBFRCZOUBR-GHMZBOCLSA-N -1 3 389.445 -0.416 20 0 GBADHM CCc1nnc(CN2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)s1 ZINC001571293909 946121557 /nfs/dbraw/zinc/12/15/57/946121557.db2.gz VOBRHBFRCZOUBR-MNOVXSKESA-N -1 3 389.445 -0.416 20 0 GBADHM CCc1nnc(CN2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)s1 ZINC001571293909 946121539 /nfs/dbraw/zinc/12/15/39/946121539.db2.gz VOBRHBFRCZOUBR-MNOVXSKESA-N -1 3 389.445 -0.416 20 0 GBADHM Cn1[nH]c(C2CCN(S(=O)(=O)c3ccccc3-c3nn[n-]n3)CC2)nc1=N ZINC001571293929 946120727 /nfs/dbraw/zinc/12/07/27/946120727.db2.gz WHYMDHZITZRWIM-UHFFFAOYSA-N -1 3 389.445 -0.024 20 0 GBADHM Cn1[nH]c(C2CCN(S(=O)(=O)c3ccccc3-c3nnn[n-]3)CC2)nc1=N ZINC001571293929 946120719 /nfs/dbraw/zinc/12/07/19/946120719.db2.gz WHYMDHZITZRWIM-UHFFFAOYSA-N -1 3 389.445 -0.024 20 0 GBADHM CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001571293956 946121143 /nfs/dbraw/zinc/12/11/43/946121143.db2.gz WZQNAKPMXZVVMV-UHFFFAOYSA-N -1 3 389.463 -0.742 20 0 GBADHM CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001571293956 946121135 /nfs/dbraw/zinc/12/11/35/946121135.db2.gz WZQNAKPMXZVVMV-UHFFFAOYSA-N -1 3 389.463 -0.742 20 0 GBADHM O=C(NCCN1CCS(=O)(=O)CC1)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001571294013 946122995 /nfs/dbraw/zinc/12/29/95/946122995.db2.gz YIHHVAZEJSJELJ-UHFFFAOYSA-N -1 3 389.441 -0.192 20 0 GBADHM O=C(NCCN1CCS(=O)(=O)CC1)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001571294013 946122992 /nfs/dbraw/zinc/12/29/92/946122992.db2.gz YIHHVAZEJSJELJ-UHFFFAOYSA-N -1 3 389.441 -0.192 20 0 GBADHM C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001571294016 946123895 /nfs/dbraw/zinc/12/38/95/946123895.db2.gz YKCNOJNAMIMPEU-PELKAZGASA-N -1 3 389.434 -0.142 20 0 GBADHM C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001571294016 946123888 /nfs/dbraw/zinc/12/38/88/946123888.db2.gz YKCNOJNAMIMPEU-PELKAZGASA-N -1 3 389.434 -0.142 20 0 GBADHM Cc1nsc(NC[C@]2(C)CCN(C(=O)Cn3cnnn3)C2)c1-c1nnn[n-]1 ZINC001571294078 946124886 /nfs/dbraw/zinc/12/48/86/946124886.db2.gz ZWGKCFQPPMYEFV-AWEZNQCLSA-N -1 3 389.449 -0.031 20 0 GBADHM Cc1nsc(NC[C@@]2(C)CCN(C(=O)Cn3cnnn3)C2)c1-c1nnn[n-]1 ZINC001571294079 946126219 /nfs/dbraw/zinc/12/62/19/946126219.db2.gz ZWGKCFQPPMYEFV-CQSZACIVSA-N -1 3 389.449 -0.031 20 0 GBADHM O=C(Cn1cnnn1)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571294206 946127205 /nfs/dbraw/zinc/12/72/05/946127205.db2.gz ATEJSTZRDZSOCL-JTQLQIEISA-N -1 3 389.811 -0.313 20 0 GBADHM O=C(Cn1cnnn1)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571294206 946127196 /nfs/dbraw/zinc/12/71/96/946127196.db2.gz ATEJSTZRDZSOCL-JTQLQIEISA-N -1 3 389.811 -0.313 20 0 GBADHM O=C(Cn1cnnn1)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001571294207 946128051 /nfs/dbraw/zinc/12/80/51/946128051.db2.gz ATEJSTZRDZSOCL-SNVBAGLBSA-N -1 3 389.811 -0.313 20 0 GBADHM O=C(Cn1cnnn1)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001571294207 946128046 /nfs/dbraw/zinc/12/80/46/946128046.db2.gz ATEJSTZRDZSOCL-SNVBAGLBSA-N -1 3 389.811 -0.313 20 0 GBADHM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001571294237 946130257 /nfs/dbraw/zinc/13/02/57/946130257.db2.gz BXASTTKNCSHAJK-VXGBXAGGSA-N -1 3 390.381 -0.591 20 0 GBADHM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001571294237 946130253 /nfs/dbraw/zinc/13/02/53/946130253.db2.gz BXASTTKNCSHAJK-VXGBXAGGSA-N -1 3 390.381 -0.591 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]2O)[nH]n1 ZINC001571294352 946131891 /nfs/dbraw/zinc/13/18/91/946131891.db2.gz GNPABHJKMKQQHB-VXGBXAGGSA-N -1 3 389.807 -0.074 20 0 GBADHM Cc1cc(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]2O)[nH]n1 ZINC001571294352 946131882 /nfs/dbraw/zinc/13/18/82/946131882.db2.gz GNPABHJKMKQQHB-VXGBXAGGSA-N -1 3 389.807 -0.074 20 0 GBADHM O=S(=O)(c1ccc(Br)c(-c2nn[n-]n2)c1)N1C[C@@H](O)[C@@H](O)C1 ZINC001571294401 946134467 /nfs/dbraw/zinc/13/44/67/946134467.db2.gz DTABGUUTYFLMRW-AOOOYVTPSA-N -1 3 390.219 -0.645 20 0 GBADHM O=S(=O)(c1ccc(Br)c(-c2nnn[n-]2)c1)N1C[C@@H](O)[C@@H](O)C1 ZINC001571294401 946134461 /nfs/dbraw/zinc/13/44/61/946134461.db2.gz DTABGUUTYFLMRW-AOOOYVTPSA-N -1 3 390.219 -0.645 20 0 GBADHM C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001571294404 946134347 /nfs/dbraw/zinc/13/43/47/946134347.db2.gz DYTBVDNSTMPIMT-LDYMZIIASA-N -1 3 389.811 -0.139 20 0 GBADHM C[C@@H]1CN(C(=O)Cn2cnnn2)C[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001571294404 946134343 /nfs/dbraw/zinc/13/43/43/946134343.db2.gz DYTBVDNSTMPIMT-LDYMZIIASA-N -1 3 389.811 -0.139 20 0 GBADHM O=C(NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCC(=O)N1 ZINC001571294409 946133642 /nfs/dbraw/zinc/13/36/42/946133642.db2.gz FAZYWXOQRKHRMP-JQWIXIFHSA-N -1 3 390.379 -0.999 20 0 GBADHM O=C(NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCC(=O)N1 ZINC001571294409 946133634 /nfs/dbraw/zinc/13/36/34/946133634.db2.gz FAZYWXOQRKHRMP-JQWIXIFHSA-N -1 3 390.379 -0.999 20 0 GBADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCC(=O)N1 ZINC001571294410 946133808 /nfs/dbraw/zinc/13/38/08/946133808.db2.gz FAZYWXOQRKHRMP-PWSUYJOCSA-N -1 3 390.379 -0.999 20 0 GBADHM O=C(NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCC(=O)N1 ZINC001571294410 946133802 /nfs/dbraw/zinc/13/38/02/946133802.db2.gz FAZYWXOQRKHRMP-PWSUYJOCSA-N -1 3 390.379 -0.999 20 0 GBADHM O=S(=O)(N[C@@H]1COC[C@@H]1O)c1cc(Br)ccc1-c1nn[n-]n1 ZINC001571294448 946133621 /nfs/dbraw/zinc/13/36/21/946133621.db2.gz GRNQDOCRGYNIOU-BDAKNGLRSA-N -1 3 390.219 -0.333 20 0 GBADHM O=S(=O)(N[C@@H]1COC[C@@H]1O)c1cc(Br)ccc1-c1nnn[n-]1 ZINC001571294448 946133614 /nfs/dbraw/zinc/13/36/14/946133614.db2.gz GRNQDOCRGYNIOU-BDAKNGLRSA-N -1 3 390.219 -0.333 20 0 GBADHM O=S(=O)(N[C@@H]1COC[C@H]1O)c1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001571294478 946137187 /nfs/dbraw/zinc/13/71/87/946137187.db2.gz IKSXTRWSTHISKB-NXEZZACHSA-N -1 3 390.219 -0.333 20 0 GBADHM O=S(=O)(N[C@@H]1COC[C@H]1O)c1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001571294478 946137180 /nfs/dbraw/zinc/13/71/80/946137180.db2.gz IKSXTRWSTHISKB-NXEZZACHSA-N -1 3 390.219 -0.333 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)O1 ZINC001571294627 946140309 /nfs/dbraw/zinc/14/03/09/946140309.db2.gz KHCJBSQPSDDWRA-ADEWGFFLSA-N -1 3 390.379 -0.554 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)O1 ZINC001571294627 946140301 /nfs/dbraw/zinc/14/03/01/946140301.db2.gz KHCJBSQPSDDWRA-ADEWGFFLSA-N -1 3 390.379 -0.554 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](Nc3ncc(-c4nn[n-]n4)cc3F)C2)O1 ZINC001571294630 946140454 /nfs/dbraw/zinc/14/04/54/946140454.db2.gz KHCJBSQPSDDWRA-ZMLRMANQSA-N -1 3 390.379 -0.554 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](Nc3ncc(-c4nnn[n-]4)cc3F)C2)O1 ZINC001571294630 946140449 /nfs/dbraw/zinc/14/04/49/946140449.db2.gz KHCJBSQPSDDWRA-ZMLRMANQSA-N -1 3 390.379 -0.554 20 0 GBADHM Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O ZINC001571294641 946141244 /nfs/dbraw/zinc/14/12/44/946141244.db2.gz JXXMJHQTBVBKHK-MNOVXSKESA-N -1 3 389.807 -0.074 20 0 GBADHM Cc1c[nH]nc1C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O ZINC001571294641 946141241 /nfs/dbraw/zinc/14/12/41/946141241.db2.gz JXXMJHQTBVBKHK-MNOVXSKESA-N -1 3 389.807 -0.074 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)O1 ZINC001571294674 946140579 /nfs/dbraw/zinc/14/05/79/946140579.db2.gz LQSGYNZLEHAXBG-ADEWGFFLSA-N -1 3 390.379 -0.871 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)O1 ZINC001571294674 946140570 /nfs/dbraw/zinc/14/05/70/946140570.db2.gz LQSGYNZLEHAXBG-ADEWGFFLSA-N -1 3 390.379 -0.871 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)O1 ZINC001571294675 946141468 /nfs/dbraw/zinc/14/14/68/946141468.db2.gz LQSGYNZLEHAXBG-ZMLRMANQSA-N -1 3 390.379 -0.871 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)O1 ZINC001571294675 946141461 /nfs/dbraw/zinc/14/14/61/946141461.db2.gz LQSGYNZLEHAXBG-ZMLRMANQSA-N -1 3 390.379 -0.871 20 0 GBADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571294765 946142491 /nfs/dbraw/zinc/14/24/91/946142491.db2.gz MBMOZCRKZASREZ-CMPLNLGQSA-N -1 3 390.379 -0.064 20 0 GBADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571294765 946142484 /nfs/dbraw/zinc/14/24/84/946142484.db2.gz MBMOZCRKZASREZ-CMPLNLGQSA-N -1 3 390.379 -0.064 20 0 GBADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571294768 946143442 /nfs/dbraw/zinc/14/34/42/946143442.db2.gz MBMOZCRKZASREZ-JQWIXIFHSA-N -1 3 390.379 -0.064 20 0 GBADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571294768 946143434 /nfs/dbraw/zinc/14/34/34/946143434.db2.gz MBMOZCRKZASREZ-JQWIXIFHSA-N -1 3 390.379 -0.064 20 0 GBADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571294770 946142739 /nfs/dbraw/zinc/14/27/39/946142739.db2.gz MBMOZCRKZASREZ-PWSUYJOCSA-N -1 3 390.379 -0.064 20 0 GBADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCCN(C(=O)[C@@H]2COC(=O)N2)C1 ZINC001571294770 946142731 /nfs/dbraw/zinc/14/27/31/946142731.db2.gz MBMOZCRKZASREZ-PWSUYJOCSA-N -1 3 390.379 -0.064 20 0 GBADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571294772 946143319 /nfs/dbraw/zinc/14/33/19/946143319.db2.gz MBMOZCRKZASREZ-ZYHUDNBSSA-N -1 3 390.379 -0.064 20 0 GBADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCCN(C(=O)[C@H]2COC(=O)N2)C1 ZINC001571294772 946143310 /nfs/dbraw/zinc/14/33/10/946143310.db2.gz MBMOZCRKZASREZ-ZYHUDNBSSA-N -1 3 390.379 -0.064 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2O)c1Cl ZINC001571294824 946146266 /nfs/dbraw/zinc/14/62/66/946146266.db2.gz NBTJANHYRURYRM-GHMZBOCLSA-N -1 3 389.807 -0.372 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2O)c1Cl ZINC001571294824 946146260 /nfs/dbraw/zinc/14/62/60/946146260.db2.gz NBTJANHYRURYRM-GHMZBOCLSA-N -1 3 389.807 -0.372 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)c1Cl ZINC001571294825 946144893 /nfs/dbraw/zinc/14/48/93/946144893.db2.gz NBTJANHYRURYRM-MNOVXSKESA-N -1 3 389.807 -0.372 20 0 GBADHM Cn1ncc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)c1Cl ZINC001571294825 946144889 /nfs/dbraw/zinc/14/48/89/946144889.db2.gz NBTJANHYRURYRM-MNOVXSKESA-N -1 3 389.807 -0.372 20 0 GBADHM CO[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001571294867 946148567 /nfs/dbraw/zinc/14/85/67/946148567.db2.gz ODGKXKITZWRQHX-CKYFFXLPSA-N -1 3 390.379 -0.993 20 0 GBADHM CO[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H]1CNC(=O)N1 ZINC001571294867 946148563 /nfs/dbraw/zinc/14/85/63/946148563.db2.gz ODGKXKITZWRQHX-CKYFFXLPSA-N -1 3 390.379 -0.993 20 0 GBADHM CO[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001571294868 946148343 /nfs/dbraw/zinc/14/83/43/946148343.db2.gz ODGKXKITZWRQHX-HOSYDEDBSA-N -1 3 390.379 -0.993 20 0 GBADHM CO[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1NC(=O)[C@@H]1CNC(=O)N1 ZINC001571294868 946148338 /nfs/dbraw/zinc/14/83/38/946148338.db2.gz ODGKXKITZWRQHX-HOSYDEDBSA-N -1 3 390.379 -0.993 20 0 GBADHM Cn1cc(Cl)c(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)n1 ZINC001571294870 946147316 /nfs/dbraw/zinc/14/73/16/946147316.db2.gz OKAYVCSPTMSPFI-GHMZBOCLSA-N -1 3 389.807 -0.372 20 0 GBADHM Cn1cc(Cl)c(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)n1 ZINC001571294870 946147310 /nfs/dbraw/zinc/14/73/10/946147310.db2.gz OKAYVCSPTMSPFI-GHMZBOCLSA-N -1 3 389.807 -0.372 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2O)c(Cl)n1 ZINC001571294887 946148043 /nfs/dbraw/zinc/14/80/43/946148043.db2.gz PFRGEKBEUREDFU-VXGBXAGGSA-N -1 3 389.807 -0.372 20 0 GBADHM Cn1cc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2O)c(Cl)n1 ZINC001571294887 946148037 /nfs/dbraw/zinc/14/80/37/946148037.db2.gz PFRGEKBEUREDFU-VXGBXAGGSA-N -1 3 389.807 -0.372 20 0 GBADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001571294894 946147990 /nfs/dbraw/zinc/14/79/90/946147990.db2.gz PKCNVNARPLVEBF-JTQLQIEISA-N -1 3 389.811 -0.361 20 0 GBADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001571294894 946147988 /nfs/dbraw/zinc/14/79/88/946147988.db2.gz PKCNVNARPLVEBF-JTQLQIEISA-N -1 3 389.811 -0.361 20 0 GBADHM CN(c1ncc(-c2nn[n-]n2)cc1Cl)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001571294895 946147541 /nfs/dbraw/zinc/14/75/41/946147541.db2.gz PKCNVNARPLVEBF-SNVBAGLBSA-N -1 3 389.811 -0.361 20 0 GBADHM CN(c1ncc(-c2nnn[n-]2)cc1Cl)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001571294895 946147535 /nfs/dbraw/zinc/14/75/35/946147535.db2.gz PKCNVNARPLVEBF-SNVBAGLBSA-N -1 3 389.811 -0.361 20 0 GBADHM Cn1nnc(C(=O)NC2CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)n1 ZINC001571294925 946147724 /nfs/dbraw/zinc/14/77/24/946147724.db2.gz PXWHZHWQEJMWGQ-UHFFFAOYSA-N -1 3 389.811 -0.163 20 0 GBADHM Cn1nnc(C(=O)NC2CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)n1 ZINC001571294925 946147718 /nfs/dbraw/zinc/14/77/18/946147718.db2.gz PXWHZHWQEJMWGQ-UHFFFAOYSA-N -1 3 389.811 -0.163 20 0 GBADHM O=C(Cn1cnnn1)NC1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001571295049 946152092 /nfs/dbraw/zinc/15/20/92/946152092.db2.gz SBEIXYHYXTWSSU-UHFFFAOYSA-N -1 3 389.811 -0.313 20 0 GBADHM O=C(Cn1cnnn1)NC1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001571295049 946152085 /nfs/dbraw/zinc/15/20/85/946152085.db2.gz SBEIXYHYXTWSSU-UHFFFAOYSA-N -1 3 389.811 -0.313 20 0 GBADHM Cc1nc(Cl)cc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001571295222 946157172 /nfs/dbraw/zinc/15/71/72/946157172.db2.gz QGPOJHZBMHIHMW-GHMZBOCLSA-N -1 3 389.807 -0.074 20 0 GBADHM Cc1nc(Cl)cc(N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001571295222 946157168 /nfs/dbraw/zinc/15/71/68/946157168.db2.gz QGPOJHZBMHIHMW-GHMZBOCLSA-N -1 3 389.807 -0.074 20 0 GBADHM O=C(Cc1c[nH]cn1)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O ZINC001571295337 946162194 /nfs/dbraw/zinc/16/21/94/946162194.db2.gz YDCRJHKKAXSGND-NEPJUHHUSA-N -1 3 389.807 -0.453 20 0 GBADHM Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001571295425 946163628 /nfs/dbraw/zinc/16/36/28/946163628.db2.gz SOYXYPBKBMRMSF-ZJUUUORDSA-N -1 3 389.807 -0.074 20 0 GBADHM Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001571295425 946163620 /nfs/dbraw/zinc/16/36/20/946163620.db2.gz SOYXYPBKBMRMSF-ZJUUUORDSA-N -1 3 389.807 -0.074 20 0 GBADHM Cc1nc(Cl)cc(N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)n1 ZINC001571295583 946170256 /nfs/dbraw/zinc/17/02/56/946170256.db2.gz YIMKAOLCMGNSFS-MNOVXSKESA-N -1 3 389.807 -0.074 20 0 GBADHM Cc1nc(Cl)cc(N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)n1 ZINC001571295583 946170250 /nfs/dbraw/zinc/17/02/50/946170250.db2.gz YIMKAOLCMGNSFS-MNOVXSKESA-N -1 3 389.807 -0.074 20 0 GBADHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N[C@@](C)(Cn1cccn1)C(N)=O ZINC001571295663 946172798 /nfs/dbraw/zinc/17/27/98/946172798.db2.gz BMJKWJYCWVNMPA-HNNXBMFYSA-N -1 3 390.429 -0.406 20 0 GBADHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N[C@@](C)(Cn1cccn1)C(N)=O ZINC001571295663 946172795 /nfs/dbraw/zinc/17/27/95/946172795.db2.gz BMJKWJYCWVNMPA-HNNXBMFYSA-N -1 3 390.429 -0.406 20 0 GBADHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N[C@](C)(Cn1cccn1)C(N)=O ZINC001571295664 946172569 /nfs/dbraw/zinc/17/25/69/946172569.db2.gz BMJKWJYCWVNMPA-OAHLLOKOSA-N -1 3 390.429 -0.406 20 0 GBADHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N[C@](C)(Cn1cccn1)C(N)=O ZINC001571295664 946172561 /nfs/dbraw/zinc/17/25/61/946172561.db2.gz BMJKWJYCWVNMPA-OAHLLOKOSA-N -1 3 390.429 -0.406 20 0 GBADHM CCn1cc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@H]2O)nn1 ZINC001571295688 946172898 /nfs/dbraw/zinc/17/28/98/946172898.db2.gz CFLJZSBIFLZSTB-PSASIEDQSA-N -1 3 390.433 -0.777 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1nccn1C ZINC001571295705 946171063 /nfs/dbraw/zinc/17/10/63/946171063.db2.gz CSBLCRPKPJENBP-JTQLQIEISA-N -1 3 390.429 -0.070 20 0 GBADHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)c1nccn1C ZINC001571295705 946171058 /nfs/dbraw/zinc/17/10/58/946171058.db2.gz CSBLCRPKPJENBP-JTQLQIEISA-N -1 3 390.429 -0.070 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)N(C)c1nccn1C ZINC001571295706 946171123 /nfs/dbraw/zinc/17/11/23/946171123.db2.gz CSBLCRPKPJENBP-SNVBAGLBSA-N -1 3 390.429 -0.070 20 0 GBADHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)N(C)c1nccn1C ZINC001571295706 946171119 /nfs/dbraw/zinc/17/11/19/946171119.db2.gz CSBLCRPKPJENBP-SNVBAGLBSA-N -1 3 390.429 -0.070 20 0 GBADHM Cc1c[nH]c(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC001571295730 946171705 /nfs/dbraw/zinc/17/17/05/946171705.db2.gz DJZTWHFIEABZOD-JTQLQIEISA-N -1 3 390.429 -0.119 20 0 GBADHM Cc1c[nH]c(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC001571295730 946171697 /nfs/dbraw/zinc/17/16/97/946171697.db2.gz DJZTWHFIEABZOD-JTQLQIEISA-N -1 3 390.429 -0.119 20 0 GBADHM Cc1c[nH]c(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC001571295731 946171459 /nfs/dbraw/zinc/17/14/59/946171459.db2.gz DJZTWHFIEABZOD-SNVBAGLBSA-N -1 3 390.429 -0.119 20 0 GBADHM Cc1c[nH]c(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC001571295731 946171453 /nfs/dbraw/zinc/17/14/53/946171453.db2.gz DJZTWHFIEABZOD-SNVBAGLBSA-N -1 3 390.429 -0.119 20 0 GBADHM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@H](C)n3cncn3)C2)c1-c1nnn[n-]1 ZINC001571295781 946173927 /nfs/dbraw/zinc/17/39/27/946173927.db2.gz FXZLEBITUBHCIN-IVZWLZJFSA-N -1 3 390.433 -0.850 20 0 GBADHM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@@H](C)n3cncn3)C2)c1-c1nnn[n-]1 ZINC001571295782 946173907 /nfs/dbraw/zinc/17/39/07/946173907.db2.gz FXZLEBITUBHCIN-OPRDCNLKSA-N -1 3 390.433 -0.850 20 0 GBADHM Cn1nccc1C1(O)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571295822 946176131 /nfs/dbraw/zinc/17/61/31/946176131.db2.gz GTXXXIWQQKSHPD-UHFFFAOYSA-N -1 3 390.429 -0.333 20 0 GBADHM Cn1nccc1C1(O)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571295822 946176125 /nfs/dbraw/zinc/17/61/25/946176125.db2.gz GTXXXIWQQKSHPD-UHFFFAOYSA-N -1 3 390.429 -0.333 20 0 GBADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001571295839 946177492 /nfs/dbraw/zinc/17/74/92/946177492.db2.gz HKORNJVCKBZJNT-GXTWGEPZSA-N -1 3 390.423 -0.232 20 0 GBADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001571295839 946177485 /nfs/dbraw/zinc/17/74/85/946177485.db2.gz HKORNJVCKBZJNT-GXTWGEPZSA-N -1 3 390.423 -0.232 20 0 GBADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001571295840 946177018 /nfs/dbraw/zinc/17/70/18/946177018.db2.gz HKORNJVCKBZJNT-JSGCOSHPSA-N -1 3 390.423 -0.232 20 0 GBADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001571295840 946177012 /nfs/dbraw/zinc/17/70/12/946177012.db2.gz HKORNJVCKBZJNT-JSGCOSHPSA-N -1 3 390.423 -0.232 20 0 GBADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001571295841 946176953 /nfs/dbraw/zinc/17/69/53/946176953.db2.gz HKORNJVCKBZJNT-OCCSQVGLSA-N -1 3 390.423 -0.232 20 0 GBADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001571295841 946176947 /nfs/dbraw/zinc/17/69/47/946176947.db2.gz HKORNJVCKBZJNT-OCCSQVGLSA-N -1 3 390.423 -0.232 20 0 GBADHM CN(c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001571295842 946176198 /nfs/dbraw/zinc/17/61/98/946176198.db2.gz HKORNJVCKBZJNT-TZMCWYRMSA-N -1 3 390.423 -0.232 20 0 GBADHM CN(c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC001571295842 946176193 /nfs/dbraw/zinc/17/61/93/946176193.db2.gz HKORNJVCKBZJNT-TZMCWYRMSA-N -1 3 390.423 -0.232 20 0 GBADHM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)[C@H]4COC(=O)N4)[C@@H]3C2)c1-c1nnn[n-]1 ZINC001571295847 946176296 /nfs/dbraw/zinc/17/62/96/946176296.db2.gz HLYBMYBTLPASFQ-DOLQZWNJSA-N -1 3 390.429 -0.462 20 0 GBADHM Cc1nsc(N2C[C@@H]3[C@@H](CNC(=O)[C@@H]4COC(=O)N4)[C@@H]3C2)c1-c1nnn[n-]1 ZINC001571295849 946177105 /nfs/dbraw/zinc/17/71/05/946177105.db2.gz HLYBMYBTLPASFQ-QEYWKRMJSA-N -1 3 390.429 -0.462 20 0 GBADHM Cn1nnc(C(=O)NC[C@@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)n1 ZINC001571295865 946177691 /nfs/dbraw/zinc/17/76/91/946177691.db2.gz HXTWUYDHHKRZEF-SECBINFHSA-N -1 3 390.433 -0.918 20 0 GBADHM Cn1nnc(C(=O)NC[C@H]2CN(Cc3ccc(-c4nnn[n-]4)s3)CCO2)n1 ZINC001571295866 946175898 /nfs/dbraw/zinc/17/58/98/946175898.db2.gz HXTWUYDHHKRZEF-VIFPVBQESA-N -1 3 390.433 -0.918 20 0 GBADHM CN1CCO[C@@H](C(=O)NC[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571295892 946177743 /nfs/dbraw/zinc/17/77/43/946177743.db2.gz IPJCUBIZWJNRFW-BXUZGUMPSA-N -1 3 390.423 -0.326 20 0 GBADHM CN1CCO[C@@H](C(=O)NC[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571295892 946177730 /nfs/dbraw/zinc/17/77/30/946177730.db2.gz IPJCUBIZWJNRFW-BXUZGUMPSA-N -1 3 390.423 -0.326 20 0 GBADHM CN1CCO[C@H](C(=O)NC[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571295893 946177212 /nfs/dbraw/zinc/17/72/12/946177212.db2.gz IPJCUBIZWJNRFW-FZMZJTMJSA-N -1 3 390.423 -0.326 20 0 GBADHM CN1CCO[C@H](C(=O)NC[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571295893 946177202 /nfs/dbraw/zinc/17/72/02/946177202.db2.gz IPJCUBIZWJNRFW-FZMZJTMJSA-N -1 3 390.423 -0.326 20 0 GBADHM CN1CCO[C@H](C(=O)NC[C@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571295894 946176753 /nfs/dbraw/zinc/17/67/53/946176753.db2.gz IPJCUBIZWJNRFW-RISCZKNCSA-N -1 3 390.423 -0.326 20 0 GBADHM CN1CCO[C@H](C(=O)NC[C@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571295894 946176737 /nfs/dbraw/zinc/17/67/37/946176737.db2.gz IPJCUBIZWJNRFW-RISCZKNCSA-N -1 3 390.423 -0.326 20 0 GBADHM CN1CCO[C@@H](C(=O)NC[C@@H]2CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001571295895 946177598 /nfs/dbraw/zinc/17/75/98/946177598.db2.gz IPJCUBIZWJNRFW-SMDDNHRTSA-N -1 3 390.423 -0.326 20 0 GBADHM CN1CCO[C@@H](C(=O)NC[C@@H]2CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001571295895 946177586 /nfs/dbraw/zinc/17/75/86/946177586.db2.gz IPJCUBIZWJNRFW-SMDDNHRTSA-N -1 3 390.423 -0.326 20 0 GBADHM C[C@H](NC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccnn1C ZINC001571295940 946179147 /nfs/dbraw/zinc/17/91/47/946179147.db2.gz JZIASOVUKSJENG-JTQLQIEISA-N -1 3 390.429 -0.244 20 0 GBADHM C[C@H](NC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccnn1C ZINC001571295940 946179141 /nfs/dbraw/zinc/17/91/41/946179141.db2.gz JZIASOVUKSJENG-JTQLQIEISA-N -1 3 390.429 -0.244 20 0 GBADHM C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccnn1C ZINC001571295941 946179909 /nfs/dbraw/zinc/17/99/09/946179909.db2.gz JZIASOVUKSJENG-SNVBAGLBSA-N -1 3 390.429 -0.244 20 0 GBADHM C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccnn1C ZINC001571295941 946179896 /nfs/dbraw/zinc/17/98/96/946179896.db2.gz JZIASOVUKSJENG-SNVBAGLBSA-N -1 3 390.429 -0.244 20 0 GBADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@]1(CO)COCCN1 ZINC001571296037 946183195 /nfs/dbraw/zinc/18/31/95/946183195.db2.gz MJQVRKBGCCLULY-CRAIPNDOSA-N -1 3 390.444 -0.263 20 0 GBADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@]1(CO)COCCN1 ZINC001571296037 946183188 /nfs/dbraw/zinc/18/31/88/946183188.db2.gz MJQVRKBGCCLULY-CRAIPNDOSA-N -1 3 390.444 -0.263 20 0 GBADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@@]1(CO)COCCN1 ZINC001571296038 946183242 /nfs/dbraw/zinc/18/32/42/946183242.db2.gz MJQVRKBGCCLULY-MAUKXSAKSA-N -1 3 390.444 -0.263 20 0 GBADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@@]1(CO)COCCN1 ZINC001571296038 946183232 /nfs/dbraw/zinc/18/32/32/946183232.db2.gz MJQVRKBGCCLULY-MAUKXSAKSA-N -1 3 390.444 -0.263 20 0 GBADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@]1(CO)COCCN1 ZINC001571296039 946181409 /nfs/dbraw/zinc/18/14/09/946181409.db2.gz MJQVRKBGCCLULY-QAPCUYQASA-N -1 3 390.444 -0.263 20 0 GBADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@]1(CO)COCCN1 ZINC001571296039 946181400 /nfs/dbraw/zinc/18/14/00/946181400.db2.gz MJQVRKBGCCLULY-QAPCUYQASA-N -1 3 390.444 -0.263 20 0 GBADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC[C@]1(CO)COCCN1 ZINC001571296040 946181707 /nfs/dbraw/zinc/18/17/07/946181707.db2.gz MJQVRKBGCCLULY-YJBOKZPZSA-N -1 3 390.444 -0.263 20 0 GBADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC[C@]1(CO)COCCN1 ZINC001571296040 946181703 /nfs/dbraw/zinc/18/17/03/946181703.db2.gz MJQVRKBGCCLULY-YJBOKZPZSA-N -1 3 390.444 -0.263 20 0 GBADHM CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)C1 ZINC001571296082 946184822 /nfs/dbraw/zinc/18/48/22/946184822.db2.gz NDRRPQUSXNSPSB-UHFFFAOYSA-N -1 3 390.429 -0.432 20 0 GBADHM CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)C1 ZINC001571296082 946184817 /nfs/dbraw/zinc/18/48/17/946184817.db2.gz NDRRPQUSXNSPSB-UHFFFAOYSA-N -1 3 390.429 -0.432 20 0 GBADHM CN(Cc1ccn(C)n1)C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001571296108 946184841 /nfs/dbraw/zinc/18/48/41/946184841.db2.gz OAOFCTZSXHOZAG-UHFFFAOYSA-N -1 3 390.429 -0.463 20 0 GBADHM CN(Cc1ccn(C)n1)C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001571296108 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ZAEWWCVDMDCNLX-LLVKDONJSA-N -1 3 390.433 -0.345 20 0 GBADHM Cn1cnnc1S(=O)(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001571296479 946196398 /nfs/dbraw/zinc/19/63/98/946196398.db2.gz ZAEWWCVDMDCNLX-NSHDSACASA-N -1 3 390.433 -0.345 20 0 GBADHM Cn1cnnc1S(=O)(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001571296479 946196394 /nfs/dbraw/zinc/19/63/94/946196394.db2.gz ZAEWWCVDMDCNLX-NSHDSACASA-N -1 3 390.433 -0.345 20 0 GBADHM Cc1nsc(N2CCN(C(=O)NCc3nc(N)n[nH]3)CC2)c1-c1nnn[n-]1 ZINC001571296483 946197232 /nfs/dbraw/zinc/19/72/32/946197232.db2.gz ZCSRZYKCNHOGPZ-UHFFFAOYSA-N -1 3 390.437 -0.636 20 0 GBADHM Cc1cc(CC(=O)N[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@H]2O)no1 ZINC001571296485 946197487 /nfs/dbraw/zinc/19/74/87/946197487.db2.gz ZFHVKYFQVHJMLH-GHMZBOCLSA-N -1 3 390.429 -0.164 20 0 GBADHM NS(=O)(=O)NC1CCN(C(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)CC1 ZINC001571296517 946196649 /nfs/dbraw/zinc/19/66/49/946196649.db2.gz ZVXZEBXHRUCMCJ-UHFFFAOYSA-N -1 3 390.429 -0.254 20 0 GBADHM NS(=O)(=O)NC1CCN(C(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)CC1 ZINC001571296517 946196641 /nfs/dbraw/zinc/19/66/41/946196641.db2.gz ZVXZEBXHRUCMCJ-UHFFFAOYSA-N -1 3 390.429 -0.254 20 0 GBADHM O=C(N[C@@H]1CCCN(Cc2cccc(-c3nn[n-]n3)c2)C1)C1CS(=O)(=O)C1 ZINC001571297880 946198449 /nfs/dbraw/zinc/19/84/49/946198449.db2.gz CAFHNUYHNQFXLO-OAHLLOKOSA-N -1 3 390.469 -0.008 20 0 GBADHM O=C(N[C@@H]1CCCN(Cc2cccc(-c3nnn[n-]3)c2)C1)C1CS(=O)(=O)C1 ZINC001571297880 946198439 /nfs/dbraw/zinc/19/84/39/946198439.db2.gz CAFHNUYHNQFXLO-OAHLLOKOSA-N -1 3 390.469 -0.008 20 0 GBADHM CN(C(=O)CC1CS(=O)(=O)C1)C1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001571297961 946201095 /nfs/dbraw/zinc/20/10/95/946201095.db2.gz FNNBISMSUWAVQV-UHFFFAOYSA-N -1 3 390.469 -0.056 20 0 GBADHM CN(C(=O)CC1CS(=O)(=O)C1)C1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001571297961 946201086 /nfs/dbraw/zinc/20/10/86/946201086.db2.gz FNNBISMSUWAVQV-UHFFFAOYSA-N -1 3 390.469 -0.056 20 0 GBADHM O=C(C[C@H]1CCS(=O)(=O)C1)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571298019 946203758 /nfs/dbraw/zinc/20/37/58/946203758.db2.gz HHUMJYRHHSXOEU-CYBMUJFWSA-N -1 3 390.469 -0.008 20 0 GBADHM O=C(C[C@H]1CCS(=O)(=O)C1)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571298019 946203748 /nfs/dbraw/zinc/20/37/48/946203748.db2.gz HHUMJYRHHSXOEU-CYBMUJFWSA-N -1 3 390.469 -0.008 20 0 GBADHM O=C(C[C@@H]1CCS(=O)(=O)C1)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571298020 946203694 /nfs/dbraw/zinc/20/36/94/946203694.db2.gz HHUMJYRHHSXOEU-ZDUSSCGKSA-N -1 3 390.469 -0.008 20 0 GBADHM O=C(C[C@@H]1CCS(=O)(=O)C1)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571298020 946203686 /nfs/dbraw/zinc/20/36/86/946203686.db2.gz HHUMJYRHHSXOEU-ZDUSSCGKSA-N -1 3 390.469 -0.008 20 0 GBADHM O=C(CC1CS(=O)(=O)C1)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001571298039 946203360 /nfs/dbraw/zinc/20/33/60/946203360.db2.gz HYHZKBQDUJFKND-HNNXBMFYSA-N -1 3 390.469 -0.008 20 0 GBADHM O=C(CC1CS(=O)(=O)C1)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001571298039 946203345 /nfs/dbraw/zinc/20/33/45/946203345.db2.gz HYHZKBQDUJFKND-HNNXBMFYSA-N -1 3 390.469 -0.008 20 0 GBADHM COCC(COC)N1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571298118 946205417 /nfs/dbraw/zinc/20/54/17/946205417.db2.gz ADBSTDZAGGZNMX-UHFFFAOYSA-N -1 3 390.448 -0.250 20 0 GBADHM COCC(COC)N1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571298118 946205403 /nfs/dbraw/zinc/20/54/03/946205403.db2.gz ADBSTDZAGGZNMX-UHFFFAOYSA-N -1 3 390.448 -0.250 20 0 GBADHM O=C(N[C@H]1CCCN(Cc2ccccc2-c2nn[n-]n2)C1)C1CS(=O)(=O)C1 ZINC001571298988 946236266 /nfs/dbraw/zinc/23/62/66/946236266.db2.gz SWPNQKFCSGHMRN-AWEZNQCLSA-N -1 3 390.469 -0.008 20 0 GBADHM O=C(N[C@H]1CCCN(Cc2ccccc2-c2nnn[n-]2)C1)C1CS(=O)(=O)C1 ZINC001571298988 946236255 /nfs/dbraw/zinc/23/62/55/946236255.db2.gz SWPNQKFCSGHMRN-AWEZNQCLSA-N -1 3 390.469 -0.008 20 0 GBADHM O=C(NC1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1)C1CS(=O)(=O)C1 ZINC001571299224 946244082 /nfs/dbraw/zinc/24/40/82/946244082.db2.gz UYVONUPVSHVBFR-UHFFFAOYSA-N -1 3 390.469 -0.008 20 0 GBADHM C[C@H](NC(=O)Cn1cnnn1)C(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001571299279 946245562 /nfs/dbraw/zinc/24/55/62/946245562.db2.gz KEYVEKYFLNUWLU-QMMMGPOBSA-N -1 3 390.795 -0.672 20 0 GBADHM C[C@H](NC(=O)Cn1cnnn1)C(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001571299279 946245554 /nfs/dbraw/zinc/24/55/54/946245554.db2.gz KEYVEKYFLNUWLU-QMMMGPOBSA-N -1 3 390.795 -0.672 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571299313 946246367 /nfs/dbraw/zinc/24/63/67/946246367.db2.gz KIRQQGORSKGDSL-GHMZBOCLSA-N -1 3 390.791 -0.208 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571299313 946246358 /nfs/dbraw/zinc/24/63/58/946246358.db2.gz KIRQQGORSKGDSL-GHMZBOCLSA-N -1 3 390.791 -0.208 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)c1cc(Cl)c[nH]1 ZINC001571299345 946247819 /nfs/dbraw/zinc/24/78/19/946247819.db2.gz LGUIASDWHYGESF-NEPJUHHUSA-N -1 3 390.791 -0.208 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)c1cc(Cl)c[nH]1 ZINC001571299345 946247808 /nfs/dbraw/zinc/24/78/08/946247808.db2.gz LGUIASDWHYGESF-NEPJUHHUSA-N -1 3 390.791 -0.208 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)c1cc(Cl)c[nH]1 ZINC001571299346 946248182 /nfs/dbraw/zinc/24/81/82/946248182.db2.gz LGUIASDWHYGESF-VXGBXAGGSA-N -1 3 390.791 -0.208 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O)c1cc(Cl)c[nH]1 ZINC001571299346 946248172 /nfs/dbraw/zinc/24/81/72/946248172.db2.gz LGUIASDWHYGESF-VXGBXAGGSA-N -1 3 390.791 -0.208 20 0 GBADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571299571 946252838 /nfs/dbraw/zinc/25/28/38/946252838.db2.gz XPNQSARIMGATCN-GGAZOKNXSA-N -1 3 390.469 -0.128 20 0 GBADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571299572 946254682 /nfs/dbraw/zinc/25/46/82/946254682.db2.gz XPNQSARIMGATCN-JYKNGBAOSA-N -1 3 390.469 -0.128 20 0 GBADHM O=C(N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571299573 946254943 /nfs/dbraw/zinc/25/49/43/946254943.db2.gz XPNQSARIMGATCN-OKWIKPQFSA-N -1 3 390.469 -0.128 20 0 GBADHM O=C(N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571299574 946253789 /nfs/dbraw/zinc/25/37/89/946253789.db2.gz XPNQSARIMGATCN-WHRXGGIHSA-N -1 3 390.469 -0.128 20 0 GBADHM O=C1NCCn2c(CNc3cc(-c4nn[n-]n4)c(Br)cn3)nnc21 ZINC001571299664 946259765 /nfs/dbraw/zinc/25/97/65/946259765.db2.gz OKQISHHYOREVGL-UHFFFAOYSA-N -1 3 391.193 -0.029 20 0 GBADHM O=C1NCCn2c(CNc3cc(-c4nnn[n-]4)c(Br)cn3)nnc21 ZINC001571299664 946259754 /nfs/dbraw/zinc/25/97/54/946259754.db2.gz OKQISHHYOREVGL-UHFFFAOYSA-N -1 3 391.193 -0.029 20 0 GBADHM CN1C[C@H](C(=O)N2CCCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)NC1=O ZINC001571299727 946258960 /nfs/dbraw/zinc/25/89/60/946258960.db2.gz ZQIBYQRAPCMJIC-GFCCVEGCSA-N -1 3 390.473 -0.014 20 0 GBADHM CN1C[C@@H](C(=O)N2CCCN(Cc3ccc(-c4nnn[n-]4)s3)CC2)NC1=O ZINC001571299729 946259491 /nfs/dbraw/zinc/25/94/91/946259491.db2.gz ZQIBYQRAPCMJIC-LBPRGKRZSA-N -1 3 390.473 -0.014 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CC[C@H](C)[C@@H](O)C3)CC2)o1 ZINC001571299969 946267777 /nfs/dbraw/zinc/26/77/77/946267777.db2.gz WXIMRJGHVMUCNL-AAEUAGOBSA-N -1 3 390.448 -0.486 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CC[C@@H](C)[C@H](O)C3)CC2)o1 ZINC001571299970 946266236 /nfs/dbraw/zinc/26/62/36/946266236.db2.gz WXIMRJGHVMUCNL-DGCLKSJQSA-N -1 3 390.448 -0.486 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CC[C@H](C)[C@H](O)C3)CC2)o1 ZINC001571299971 946267206 /nfs/dbraw/zinc/26/72/06/946267206.db2.gz WXIMRJGHVMUCNL-WCQYABFASA-N -1 3 390.448 -0.486 20 0 GBADHM Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)CN3CC[C@@H](C)[C@@H](O)C3)CC2)o1 ZINC001571299972 946267853 /nfs/dbraw/zinc/26/78/53/946267853.db2.gz WXIMRJGHVMUCNL-YPMHNXCESA-N -1 3 390.448 -0.486 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571300100 946271155 /nfs/dbraw/zinc/27/11/55/946271155.db2.gz UUGSFDCESAQBMI-NEPJUHHUSA-N -1 3 390.791 -0.208 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571300100 946271145 /nfs/dbraw/zinc/27/11/45/946271145.db2.gz UUGSFDCESAQBMI-NEPJUHHUSA-N -1 3 390.791 -0.208 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@@H]1O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571300138 946272050 /nfs/dbraw/zinc/27/20/50/946272050.db2.gz VSROXVDKZNHELV-MNOVXSKESA-N -1 3 390.791 -0.208 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ccc(Cl)[nH]2)C[C@@H]1O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571300138 946272040 /nfs/dbraw/zinc/27/20/40/946272040.db2.gz VSROXVDKZNHELV-MNOVXSKESA-N -1 3 390.791 -0.208 20 0 GBADHM O=C(c1cn(C(F)(F)CO)nn1)N1CC(Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001571301734 946280269 /nfs/dbraw/zinc/28/02/69/946280269.db2.gz BNOLQPWJQHMPEW-UHFFFAOYSA-N -1 3 391.342 -0.064 20 0 GBADHM O=C(c1cn(C(F)(F)CO)nn1)N1CC(Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001571301734 946280260 /nfs/dbraw/zinc/28/02/60/946280260.db2.gz BNOLQPWJQHMPEW-UHFFFAOYSA-N -1 3 391.342 -0.064 20 0 GBADHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N1CCS(=O)(=O)CCO1 ZINC001571301740 946283424 /nfs/dbraw/zinc/28/34/24/946283424.db2.gz BSYLNGFPMXWUGJ-UHFFFAOYSA-N -1 3 391.406 -0.335 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1ccn(C(F)F)n1 ZINC001571301931 946287878 /nfs/dbraw/zinc/28/78/78/946287878.db2.gz IEMMHPOQWYZDLY-GHMZBOCLSA-N -1 3 391.342 -0.167 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1ccn(C(F)F)n1 ZINC001571301931 946287867 /nfs/dbraw/zinc/28/78/67/946287867.db2.gz IEMMHPOQWYZDLY-GHMZBOCLSA-N -1 3 391.342 -0.167 20 0 GBADHM Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nnn1C ZINC001571302098 946293184 /nfs/dbraw/zinc/29/31/84/946293184.db2.gz OQXHJONCCIZVLF-MRVPVSSYSA-N -1 3 391.417 -0.391 20 0 GBADHM Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nnn1C ZINC001571302098 946293174 /nfs/dbraw/zinc/29/31/74/946293174.db2.gz OQXHJONCCIZVLF-MRVPVSSYSA-N -1 3 391.417 -0.391 20 0 GBADHM Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nnn1C ZINC001571302099 946291583 /nfs/dbraw/zinc/29/15/83/946291583.db2.gz OQXHJONCCIZVLF-QMMMGPOBSA-N -1 3 391.417 -0.391 20 0 GBADHM Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nnn1C ZINC001571302099 946291577 /nfs/dbraw/zinc/29/15/77/946291577.db2.gz OQXHJONCCIZVLF-QMMMGPOBSA-N -1 3 391.417 -0.391 20 0 GBADHM O=C(N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)c1cnn(C(F)F)c1 ZINC001571302112 946293344 /nfs/dbraw/zinc/29/33/44/946293344.db2.gz OYILFEYYZUSQSG-GHMZBOCLSA-N -1 3 391.342 -0.167 20 0 GBADHM O=C(N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)c1cnn(C(F)F)c1 ZINC001571302112 946293332 /nfs/dbraw/zinc/29/33/32/946293332.db2.gz OYILFEYYZUSQSG-GHMZBOCLSA-N -1 3 391.342 -0.167 20 0 GBADHM NC(=O)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nc2)n1 ZINC001571302117 946291608 /nfs/dbraw/zinc/29/16/08/946291608.db2.gz OZLLWWMQRIMERY-RYUDHWBXSA-N -1 3 391.395 -0.141 20 0 GBADHM NC(=O)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nc2)n1 ZINC001571302117 946291601 /nfs/dbraw/zinc/29/16/01/946291601.db2.gz OZLLWWMQRIMERY-RYUDHWBXSA-N -1 3 391.395 -0.141 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)c1cc(C(F)F)n[nH]1 ZINC001571302354 946301178 /nfs/dbraw/zinc/30/11/78/946301178.db2.gz VRCOBFJNEXCCMM-GHMZBOCLSA-N -1 3 391.342 -0.098 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)c1cc(C(F)F)n[nH]1 ZINC001571302354 946301175 /nfs/dbraw/zinc/30/11/75/946301175.db2.gz VRCOBFJNEXCCMM-GHMZBOCLSA-N -1 3 391.342 -0.098 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)c1cc(C(F)F)n[nH]1 ZINC001571302355 946299437 /nfs/dbraw/zinc/29/94/37/946299437.db2.gz VRCOBFJNEXCCMM-MNOVXSKESA-N -1 3 391.342 -0.098 20 0 GBADHM O=C(N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)c1cc(C(F)F)n[nH]1 ZINC001571302355 946299426 /nfs/dbraw/zinc/29/94/26/946299426.db2.gz VRCOBFJNEXCCMM-MNOVXSKESA-N -1 3 391.342 -0.098 20 0 GBADHM NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nn[n-]n4)C[C@H]32)cn1 ZINC001571302367 946300878 /nfs/dbraw/zinc/30/08/78/946300878.db2.gz VZEYAAFUXMNEPC-IMRBUKKESA-N -1 3 391.395 -0.380 20 0 GBADHM NC(=O)c1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ncccc4-c4nnn[n-]4)C[C@H]32)cn1 ZINC001571302367 946300866 /nfs/dbraw/zinc/30/08/66/946300866.db2.gz VZEYAAFUXMNEPC-IMRBUKKESA-N -1 3 391.395 -0.380 20 0 GBADHM NC(=O)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)n1 ZINC001571302454 946301792 /nfs/dbraw/zinc/30/17/92/946301792.db2.gz YCLZRHWUFMNWCT-HBYGRHMLSA-N -1 3 391.395 -0.380 20 0 GBADHM NC(=O)c1cccc(C(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)nc4)C[C@H]32)n1 ZINC001571302454 946301784 /nfs/dbraw/zinc/30/17/84/946301784.db2.gz YCLZRHWUFMNWCT-HBYGRHMLSA-N -1 3 391.395 -0.380 20 0 GBADHM O=S(=O)(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)[C@@H]1COC[C@H]1O ZINC001571302485 946304274 /nfs/dbraw/zinc/30/42/74/946304274.db2.gz YZDBEMZXRXNRNG-CHWSQXEVSA-N -1 3 391.413 -0.564 20 0 GBADHM COc1ccc(CNC(=O)NC[C@]2(CO)COCCN2C)cc1-c1nn[n-]n1 ZINC001571303384 946333523 /nfs/dbraw/zinc/33/35/23/946333523.db2.gz LQSLNNRZDGQDIH-KRWDZBQOSA-N -1 3 391.432 -0.632 20 0 GBADHM COc1ccc(CNC(=O)NC[C@]2(CO)COCCN2C)cc1-c1nnn[n-]1 ZINC001571303384 946333509 /nfs/dbraw/zinc/33/35/09/946333509.db2.gz LQSLNNRZDGQDIH-KRWDZBQOSA-N -1 3 391.432 -0.632 20 0 GBADHM COc1ccc(CNC(=O)NC[C@@]2(CO)COCCN2C)cc1-c1nn[n-]n1 ZINC001571303385 946334037 /nfs/dbraw/zinc/33/40/37/946334037.db2.gz LQSLNNRZDGQDIH-QGZVFWFLSA-N -1 3 391.432 -0.632 20 0 GBADHM COc1ccc(CNC(=O)NC[C@@]2(CO)COCCN2C)cc1-c1nnn[n-]1 ZINC001571303385 946334024 /nfs/dbraw/zinc/33/40/24/946334024.db2.gz LQSLNNRZDGQDIH-QGZVFWFLSA-N -1 3 391.432 -0.632 20 0 GBADHM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCC2(N3CCOCC3)CCOCC2)n1 ZINC001571304060 946356189 /nfs/dbraw/zinc/35/61/89/946356189.db2.gz WZCXUDQZQOTKDK-UHFFFAOYSA-N -1 3 391.436 -0.397 20 0 GBADHM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCC2(N3CCOCC3)CCOCC2)n1 ZINC001571304060 946356175 /nfs/dbraw/zinc/35/61/75/946356175.db2.gz WZCXUDQZQOTKDK-UHFFFAOYSA-N -1 3 391.436 -0.397 20 0 GBADHM O=C(N[C@@H]1CN(CCn2cc(Cl)cn2)C[C@@H]1O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001571305416 946359811 /nfs/dbraw/zinc/35/98/11/946359811.db2.gz AQZFZCHGTXLRMA-OLZOCXBDSA-N -1 3 391.823 -0.480 20 0 GBADHM O=C(N[C@@H]1CN(CCn2cc(Cl)cn2)C[C@@H]1O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001571305416 946359802 /nfs/dbraw/zinc/35/98/02/946359802.db2.gz AQZFZCHGTXLRMA-OLZOCXBDSA-N -1 3 391.823 -0.480 20 0 GBADHM Cc1nonc1C(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@@H]1O ZINC001571305533 946366450 /nfs/dbraw/zinc/36/64/50/946366450.db2.gz DJEFLMDRUHYZHB-ZJUUUORDSA-N -1 3 391.779 -0.414 20 0 GBADHM Cc1nonc1C(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@@H]1O ZINC001571305533 946366437 /nfs/dbraw/zinc/36/64/37/946366437.db2.gz DJEFLMDRUHYZHB-ZJUUUORDSA-N -1 3 391.779 -0.414 20 0 GBADHM O=C(NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@H]1CNC(=O)N1 ZINC001571305658 946370118 /nfs/dbraw/zinc/37/01/18/946370118.db2.gz IOUOCAADQQSXMM-GZMMTYOYSA-N -1 3 391.823 -0.461 20 0 GBADHM O=C(NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@H]1CNC(=O)N1 ZINC001571305658 946370110 /nfs/dbraw/zinc/37/01/10/946370110.db2.gz IOUOCAADQQSXMM-GZMMTYOYSA-N -1 3 391.823 -0.461 20 0 GBADHM O=C(NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@@H]1CNC(=O)N1 ZINC001571305659 946371072 /nfs/dbraw/zinc/37/10/72/946371072.db2.gz IOUOCAADQQSXMM-KCJUWKMLSA-N -1 3 391.823 -0.461 20 0 GBADHM O=C(NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@@H]1CNC(=O)N1 ZINC001571305659 946371056 /nfs/dbraw/zinc/37/10/56/946371056.db2.gz IOUOCAADQQSXMM-KCJUWKMLSA-N -1 3 391.823 -0.461 20 0 GBADHM O=C(NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@@H]1CNC(=O)N1 ZINC001571305660 946369132 /nfs/dbraw/zinc/36/91/32/946369132.db2.gz IOUOCAADQQSXMM-KWQFWETISA-N -1 3 391.823 -0.461 20 0 GBADHM O=C(NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@@H]1CNC(=O)N1 ZINC001571305660 946369118 /nfs/dbraw/zinc/36/91/18/946369118.db2.gz IOUOCAADQQSXMM-KWQFWETISA-N -1 3 391.823 -0.461 20 0 GBADHM O=C(NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1)[C@H]1CNC(=O)N1 ZINC001571305661 946369990 /nfs/dbraw/zinc/36/99/90/946369990.db2.gz IOUOCAADQQSXMM-LDYMZIIASA-N -1 3 391.823 -0.461 20 0 GBADHM O=C(NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1)[C@H]1CNC(=O)N1 ZINC001571305661 946369978 /nfs/dbraw/zinc/36/99/78/946369978.db2.gz IOUOCAADQQSXMM-LDYMZIIASA-N -1 3 391.823 -0.461 20 0 GBADHM C[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001571305714 946372008 /nfs/dbraw/zinc/37/20/08/946372008.db2.gz ASCRFZVLCPYIDZ-GHMZBOCLSA-N -1 3 391.457 -0.505 20 0 GBADHM C[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001571305714 946371999 /nfs/dbraw/zinc/37/19/99/946371999.db2.gz ASCRFZVLCPYIDZ-GHMZBOCLSA-N -1 3 391.457 -0.505 20 0 GBADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)C1CCS(=O)(=O)CC1 ZINC001571305731 946372564 /nfs/dbraw/zinc/37/25/64/946372564.db2.gz BERACAAHPIBVSZ-GFCCVEGCSA-N -1 3 391.457 -0.219 20 0 GBADHM O=C(N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)C1CCS(=O)(=O)CC1 ZINC001571305731 946372554 /nfs/dbraw/zinc/37/25/54/946372554.db2.gz BERACAAHPIBVSZ-GFCCVEGCSA-N -1 3 391.457 -0.219 20 0 GBADHM O=C(N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)C1CCS(=O)(=O)CC1 ZINC001571305732 946371978 /nfs/dbraw/zinc/37/19/78/946371978.db2.gz BERACAAHPIBVSZ-LBPRGKRZSA-N -1 3 391.457 -0.219 20 0 GBADHM O=C(N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)C1CCS(=O)(=O)CC1 ZINC001571305732 946371966 /nfs/dbraw/zinc/37/19/66/946371966.db2.gz BERACAAHPIBVSZ-LBPRGKRZSA-N -1 3 391.457 -0.219 20 0 GBADHM Cc1nsc(NC2CC(CNC(=O)[C@@H]3CN(C)C(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571305747 946373542 /nfs/dbraw/zinc/37/35/42/946373542.db2.gz BQMXLBNVRGPNTJ-RTBKNWGFSA-N -1 3 391.461 -0.038 20 0 GBADHM Cc1nsc(NC2CC(CNC(=O)[C@H]3CN(C)C(=O)N3)C2)c1-c1nnn[n-]1 ZINC001571305748 946373911 /nfs/dbraw/zinc/37/39/11/946373911.db2.gz BQMXLBNVRGPNTJ-UDNWOFFPSA-N -1 3 391.461 -0.038 20 0 GBADHM Cc1nsc(NCC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571305769 946375077 /nfs/dbraw/zinc/37/50/77/946375077.db2.gz CEUPIJQVKHEYJD-JTQLQIEISA-N -1 3 391.461 -0.036 20 0 GBADHM Cc1nsc(NCC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)c1-c1nnn[n-]1 ZINC001571305770 946376546 /nfs/dbraw/zinc/37/65/46/946376546.db2.gz CEUPIJQVKHEYJD-SNVBAGLBSA-N -1 3 391.461 -0.036 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CCC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001571305778 946376045 /nfs/dbraw/zinc/37/60/45/946376045.db2.gz CLCOCWYWTDYZQY-GFCCVEGCSA-N -1 3 391.457 -0.300 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CCC[C@@H](NC(=O)C3CS(=O)(=O)C3)C2)n1 ZINC001571305778 946376035 /nfs/dbraw/zinc/37/60/35/946376035.db2.gz CLCOCWYWTDYZQY-GFCCVEGCSA-N -1 3 391.457 -0.300 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)O1 ZINC001571305779 946374395 /nfs/dbraw/zinc/37/43/95/946374395.db2.gz CMXCBDOEPYECGD-ADEWGFFLSA-N -1 3 391.457 -0.348 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)O1 ZINC001571305779 946374386 /nfs/dbraw/zinc/37/43/86/946374386.db2.gz CMXCBDOEPYECGD-ADEWGFFLSA-N -1 3 391.457 -0.348 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nn[n-]n3)s2)O1 ZINC001571305780 946376504 /nfs/dbraw/zinc/37/65/04/946376504.db2.gz CMXCBDOEPYECGD-ZMLRMANQSA-N -1 3 391.457 -0.348 20 0 GBADHM NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN2Cc2ccc(-c3nnn[n-]3)s2)O1 ZINC001571305780 946376492 /nfs/dbraw/zinc/37/64/92/946376492.db2.gz CMXCBDOEPYECGD-ZMLRMANQSA-N -1 3 391.457 -0.348 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571305843 946377364 /nfs/dbraw/zinc/37/73/64/946377364.db2.gz LQHGGHXNMVWIGN-GGVZMXCHSA-N -1 3 391.823 -0.320 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CNC(=O)N2)CCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571305843 946377355 /nfs/dbraw/zinc/37/73/55/946377355.db2.gz LQHGGHXNMVWIGN-GGVZMXCHSA-N -1 3 391.823 -0.320 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC001571305844 946378116 /nfs/dbraw/zinc/37/81/16/946378116.db2.gz LQHGGHXNMVWIGN-PPKCKEKNSA-N -1 3 391.823 -0.320 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CNC(=O)N2)CCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC001571305844 946378106 /nfs/dbraw/zinc/37/81/06/946378106.db2.gz LQHGGHXNMVWIGN-PPKCKEKNSA-N -1 3 391.823 -0.320 20 0 GBADHM O=C(NC1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1)[C@H]1CNC(=O)N1 ZINC001571305850 946379143 /nfs/dbraw/zinc/37/91/43/946379143.db2.gz LVINYWZMCIKWPD-LLVKDONJSA-N -1 3 391.823 -0.319 20 0 GBADHM O=C(NC1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1)[C@H]1CNC(=O)N1 ZINC001571305850 946379133 /nfs/dbraw/zinc/37/91/33/946379133.db2.gz LVINYWZMCIKWPD-LLVKDONJSA-N -1 3 391.823 -0.319 20 0 GBADHM O=C(NC1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1)[C@@H]1CNC(=O)N1 ZINC001571305851 946380351 /nfs/dbraw/zinc/38/03/51/946380351.db2.gz LVINYWZMCIKWPD-NSHDSACASA-N -1 3 391.823 -0.319 20 0 GBADHM O=C(NC1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1)[C@@H]1CNC(=O)N1 ZINC001571305851 946380335 /nfs/dbraw/zinc/38/03/35/946380335.db2.gz LVINYWZMCIKWPD-NSHDSACASA-N -1 3 391.823 -0.319 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571305913 946383107 /nfs/dbraw/zinc/38/31/07/946383107.db2.gz DHANPNYHJMGDLA-KGYLQXTDSA-N -1 3 391.457 -0.078 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571305913 946383096 /nfs/dbraw/zinc/38/30/96/946383096.db2.gz DHANPNYHJMGDLA-KGYLQXTDSA-N -1 3 391.457 -0.078 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)CCN1c1ccc(-c2nn[n-]n2)cn1 ZINC001571305914 946381015 /nfs/dbraw/zinc/38/10/15/946381015.db2.gz DHANPNYHJMGDLA-WXHSDQCUSA-N -1 3 391.457 -0.078 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)CCN1c1ccc(-c2nnn[n-]2)cn1 ZINC001571305914 946381010 /nfs/dbraw/zinc/38/10/10/946381010.db2.gz DHANPNYHJMGDLA-WXHSDQCUSA-N -1 3 391.457 -0.078 20 0 GBADHM CS(=O)(=O)CC(=O)N1C[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1 ZINC001571305915 946382656 /nfs/dbraw/zinc/38/26/56/946382656.db2.gz DHLYPEXITBZRCV-NEPJUHHUSA-N -1 3 391.457 -0.409 20 0 GBADHM CS(=O)(=O)CC(=O)N1C[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1 ZINC001571305915 946382646 /nfs/dbraw/zinc/38/26/46/946382646.db2.gz DHLYPEXITBZRCV-NEPJUHHUSA-N -1 3 391.457 -0.409 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001571305930 946380992 /nfs/dbraw/zinc/38/09/92/946380992.db2.gz DTHKBKYGYKKYDR-MEDUHNTESA-N -1 3 391.457 -0.076 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001571305930 946380985 /nfs/dbraw/zinc/38/09/85/946380985.db2.gz DTHKBKYGYKKYDR-MEDUHNTESA-N -1 3 391.457 -0.076 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001571305931 946381040 /nfs/dbraw/zinc/38/10/40/946381040.db2.gz DTHKBKYGYKKYDR-ZBEGNZNMSA-N -1 3 391.457 -0.076 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001571305931 946381032 /nfs/dbraw/zinc/38/10/32/946381032.db2.gz DTHKBKYGYKKYDR-ZBEGNZNMSA-N -1 3 391.457 -0.076 20 0 GBADHM O=C(NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCS(=O)(=O)C1 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GBADHM CN(C(=O)C1CS(=O)(=O)C1)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001571307086 946416221 /nfs/dbraw/zinc/41/62/21/946416221.db2.gz WBBQQOSBZOAFNM-UHFFFAOYSA-N -1 3 391.457 -0.267 20 0 GBADHM CN(C(=O)C1CS(=O)(=O)C1)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001571307086 946416218 /nfs/dbraw/zinc/41/62/18/946416218.db2.gz WBBQQOSBZOAFNM-UHFFFAOYSA-N -1 3 391.457 -0.267 20 0 GBADHM O=C([C@H]1CCCS1(=O)=O)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571307107 946416268 /nfs/dbraw/zinc/41/62/68/946416268.db2.gz WVIVIGKIVNRDIZ-CYBMUJFWSA-N -1 3 391.457 -0.122 20 0 GBADHM O=C([C@H]1CCCS1(=O)=O)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571307107 946416265 /nfs/dbraw/zinc/41/62/65/946416265.db2.gz WVIVIGKIVNRDIZ-CYBMUJFWSA-N -1 3 391.457 -0.122 20 0 GBADHM O=C([C@@H]1CCCS1(=O)=O)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001571307108 946416331 /nfs/dbraw/zinc/41/63/31/946416331.db2.gz WVIVIGKIVNRDIZ-ZDUSSCGKSA-N -1 3 391.457 -0.122 20 0 GBADHM O=C([C@@H]1CCCS1(=O)=O)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001571307108 946416328 /nfs/dbraw/zinc/41/63/28/946416328.db2.gz WVIVIGKIVNRDIZ-ZDUSSCGKSA-N -1 3 391.457 -0.122 20 0 GBADHM O=C(NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)[C@H]1CCC(=O)N1 ZINC001571307111 946416297 /nfs/dbraw/zinc/41/62/97/946416297.db2.gz XBPIEIUHLQAIKC-CMPLNLGQSA-N -1 3 391.457 -0.476 20 0 GBADHM O=C(NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1)[C@H]1CCC(=O)N1 ZINC001571307112 946416452 /nfs/dbraw/zinc/41/64/52/946416452.db2.gz XBPIEIUHLQAIKC-ZYHUDNBSSA-N -1 3 391.457 -0.476 20 0 GBADHM CS(=O)(=O)CC(=O)N1CCC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571307113 946416260 /nfs/dbraw/zinc/41/62/60/946416260.db2.gz XBYRKBCGOWZCQN-WCQYABFASA-N -1 3 391.457 -0.267 20 0 GBADHM CS(=O)(=O)CC(=O)N1CCC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571307113 946416258 /nfs/dbraw/zinc/41/62/58/946416258.db2.gz XBYRKBCGOWZCQN-WCQYABFASA-N -1 3 391.457 -0.267 20 0 GBADHM Cc1nc(N2CC[C@@H](NC(=O)CC3CS(=O)(=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571307150 946419129 /nfs/dbraw/zinc/41/91/29/946419129.db2.gz YHGDIFMMMUGQFZ-GFCCVEGCSA-N -1 3 391.457 -0.300 20 0 GBADHM Cc1nc(N2CC[C@@H](NC(=O)CC3CS(=O)(=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571307150 946419121 /nfs/dbraw/zinc/41/91/21/946419121.db2.gz YHGDIFMMMUGQFZ-GFCCVEGCSA-N -1 3 391.457 -0.300 20 0 GBADHM Cc1nc(N2CC[C@H](NC(=O)CC3CS(=O)(=O)C3)C2)ccc1-c1nn[n-]n1 ZINC001571307151 946419301 /nfs/dbraw/zinc/41/93/01/946419301.db2.gz YHGDIFMMMUGQFZ-LBPRGKRZSA-N -1 3 391.457 -0.300 20 0 GBADHM Cc1nc(N2CC[C@H](NC(=O)CC3CS(=O)(=O)C3)C2)ccc1-c1nnn[n-]1 ZINC001571307151 946419295 /nfs/dbraw/zinc/41/92/95/946419295.db2.gz YHGDIFMMMUGQFZ-LBPRGKRZSA-N -1 3 391.457 -0.300 20 0 GBADHM C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571307160 946418219 /nfs/dbraw/zinc/41/82/19/946418219.db2.gz YRDPYJRICMBFQQ-KGYLQXTDSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571307160 946418216 /nfs/dbraw/zinc/41/82/16/946418216.db2.gz YRDPYJRICMBFQQ-KGYLQXTDSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001571307161 946419105 /nfs/dbraw/zinc/41/91/05/946419105.db2.gz YRDPYJRICMBFQQ-RAIGVLPGSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001571307161 946419097 /nfs/dbraw/zinc/41/90/97/946419097.db2.gz YRDPYJRICMBFQQ-RAIGVLPGSA-N -1 3 391.457 -0.045 20 0 GBADHM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571307197 946418152 /nfs/dbraw/zinc/41/81/52/946418152.db2.gz ZRIJFLDKLNKVSE-NEPJUHHUSA-N -1 3 391.457 -0.219 20 0 GBADHM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571307197 946418143 /nfs/dbraw/zinc/41/81/43/946418143.db2.gz ZRIJFLDKLNKVSE-NEPJUHHUSA-N -1 3 391.457 -0.219 20 0 GBADHM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571307198 946418758 /nfs/dbraw/zinc/41/87/58/946418758.db2.gz ZRIJFLDKLNKVSE-NWDGAFQWSA-N -1 3 391.457 -0.219 20 0 GBADHM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571307198 946418750 /nfs/dbraw/zinc/41/87/50/946418750.db2.gz ZRIJFLDKLNKVSE-NWDGAFQWSA-N -1 3 391.457 -0.219 20 0 GBADHM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571307199 946420952 /nfs/dbraw/zinc/42/09/52/946420952.db2.gz ZRIJFLDKLNKVSE-RYUDHWBXSA-N -1 3 391.457 -0.219 20 0 GBADHM O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571307199 946420948 /nfs/dbraw/zinc/42/09/48/946420948.db2.gz ZRIJFLDKLNKVSE-RYUDHWBXSA-N -1 3 391.457 -0.219 20 0 GBADHM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571307200 946420535 /nfs/dbraw/zinc/42/05/35/946420535.db2.gz ZRIJFLDKLNKVSE-VXGBXAGGSA-N -1 3 391.457 -0.219 20 0 GBADHM O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001571307200 946420527 /nfs/dbraw/zinc/42/05/27/946420527.db2.gz ZRIJFLDKLNKVSE-VXGBXAGGSA-N -1 3 391.457 -0.219 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)[C@@H]3CCCS3(=O)=O)C2)n1 ZINC001571307201 946420483 /nfs/dbraw/zinc/42/04/83/946420483.db2.gz ZRPMPBYHMXYXMP-AAEUAGOBSA-N -1 3 391.457 -0.158 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)[C@@H]3CCCS3(=O)=O)C2)n1 ZINC001571307201 946420477 /nfs/dbraw/zinc/42/04/77/946420477.db2.gz ZRPMPBYHMXYXMP-AAEUAGOBSA-N -1 3 391.457 -0.158 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)[C@H]3CCCS3(=O)=O)C2)n1 ZINC001571307202 946421035 /nfs/dbraw/zinc/42/10/35/946421035.db2.gz ZRPMPBYHMXYXMP-DGCLKSJQSA-N -1 3 391.457 -0.158 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)[C@H]3CCCS3(=O)=O)C2)n1 ZINC001571307202 946421030 /nfs/dbraw/zinc/42/10/30/946421030.db2.gz ZRPMPBYHMXYXMP-DGCLKSJQSA-N -1 3 391.457 -0.158 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@H](NC(=O)[C@H]3CCCS3(=O)=O)C2)n1 ZINC001571307203 946420039 /nfs/dbraw/zinc/42/00/39/946420039.db2.gz ZRPMPBYHMXYXMP-WCQYABFASA-N -1 3 391.457 -0.158 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@H](NC(=O)[C@H]3CCCS3(=O)=O)C2)n1 ZINC001571307203 946420034 /nfs/dbraw/zinc/42/00/34/946420034.db2.gz ZRPMPBYHMXYXMP-WCQYABFASA-N -1 3 391.457 -0.158 20 0 GBADHM Cc1ccc(-c2nn[n-]n2)c(N2CC[C@@H](NC(=O)[C@@H]3CCCS3(=O)=O)C2)n1 ZINC001571307204 946421174 /nfs/dbraw/zinc/42/11/74/946421174.db2.gz ZRPMPBYHMXYXMP-YPMHNXCESA-N -1 3 391.457 -0.158 20 0 GBADHM Cc1ccc(-c2nnn[n-]2)c(N2CC[C@@H](NC(=O)[C@@H]3CCCS3(=O)=O)C2)n1 ZINC001571307204 946421171 /nfs/dbraw/zinc/42/11/71/946421171.db2.gz ZRPMPBYHMXYXMP-YPMHNXCESA-N -1 3 391.457 -0.158 20 0 GBADHM O=C([C@@H]1CCS(=O)(=O)N1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571307211 946420895 /nfs/dbraw/zinc/42/08/95/946420895.db2.gz ZWHFLKCETVBTJL-AWEZNQCLSA-N -1 3 391.457 -0.797 20 0 GBADHM O=C([C@H]1CCS(=O)(=O)N1)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571307213 946420258 /nfs/dbraw/zinc/42/02/58/946420258.db2.gz ZWHFLKCETVBTJL-CQSZACIVSA-N -1 3 391.457 -0.797 20 0 GBADHM NC(=O)c1nccnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001571307891 946427677 /nfs/dbraw/zinc/42/76/77/946427677.db2.gz JADIPCHYAFLORQ-UWVGGRQHSA-N -1 3 392.383 -0.746 20 0 GBADHM NC(=O)c1nccnc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001571307891 946427669 /nfs/dbraw/zinc/42/76/69/946427669.db2.gz JADIPCHYAFLORQ-UWVGGRQHSA-N -1 3 392.383 -0.746 20 0 GBADHM COC(=O)[C@@H](NC(=O)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1)[C@@H](C)O ZINC001571308228 946431236 /nfs/dbraw/zinc/43/12/36/946431236.db2.gz NGVFIROIZDPIHI-PUYPPJJSSA-N -1 3 392.391 -0.129 20 0 GBADHM COC(=O)[C@@H](NC(=O)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2F)C1)[C@@H](C)O ZINC001571308230 946430747 /nfs/dbraw/zinc/43/07/47/946430747.db2.gz NGVFIROIZDPIHI-UDZFHETQSA-N -1 3 392.391 -0.129 20 0 GBADHM Cc1nc(CS(=O)(=O)N2CC[C@@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571308284 946431356 /nfs/dbraw/zinc/43/13/56/946431356.db2.gz NQVXVJDKUXDLSC-LLVKDONJSA-N -1 3 392.401 -0.064 20 0 GBADHM Cc1nc(CS(=O)(=O)N2CC[C@@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571308284 946431352 /nfs/dbraw/zinc/43/13/52/946431352.db2.gz NQVXVJDKUXDLSC-LLVKDONJSA-N -1 3 392.401 -0.064 20 0 GBADHM Cc1nc(CS(=O)(=O)N2CC[C@H](Oc3ccc(-c4nn[n-]n4)cn3)C2)no1 ZINC001571308287 946431711 /nfs/dbraw/zinc/43/17/11/946431711.db2.gz NQVXVJDKUXDLSC-NSHDSACASA-N -1 3 392.401 -0.064 20 0 GBADHM Cc1nc(CS(=O)(=O)N2CC[C@H](Oc3ccc(-c4nnn[n-]4)cn3)C2)no1 ZINC001571308287 946431703 /nfs/dbraw/zinc/43/17/03/946431703.db2.gz NQVXVJDKUXDLSC-NSHDSACASA-N -1 3 392.401 -0.064 20 0 GBADHM O=C(N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O)c1csc(=O)[nH]1 ZINC001571309040 946440301 /nfs/dbraw/zinc/44/03/01/946440301.db2.gz WHTQMWAKRPIKAQ-SCZZXKLOSA-N -1 3 392.376 -0.458 20 0 GBADHM CNC(=O)NC[C@@H]1COCCN1C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571309115 946440331 /nfs/dbraw/zinc/44/03/31/946440331.db2.gz WSTVYPHMQVAPFD-LLVKDONJSA-N -1 3 392.395 -0.155 20 0 GBADHM CNC(=O)NC[C@@H]1COCCN1C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571309115 946440326 /nfs/dbraw/zinc/44/03/26/946440326.db2.gz WSTVYPHMQVAPFD-LLVKDONJSA-N -1 3 392.395 -0.155 20 0 GBADHM CNC(=O)NC[C@H]1COCCN1C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001571309117 946439859 /nfs/dbraw/zinc/43/98/59/946439859.db2.gz WSTVYPHMQVAPFD-NSHDSACASA-N -1 3 392.395 -0.155 20 0 GBADHM CNC(=O)NC[C@H]1COCCN1C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001571309117 946439851 /nfs/dbraw/zinc/43/98/51/946439851.db2.gz WSTVYPHMQVAPFD-NSHDSACASA-N -1 3 392.395 -0.155 20 0 GBADHM Cc1ccn(CC(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)c(=O)c1 ZINC001571309787 946452365 /nfs/dbraw/zinc/45/23/65/946452365.db2.gz KVXCDWDDCNAPRW-UOIKSKOESA-N -1 3 392.423 -0.017 20 0 GBADHM Cc1ccn(CC(=O)N[C@@H]2[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)c(=O)c1 ZINC001571309787 946452355 /nfs/dbraw/zinc/45/23/55/946452355.db2.gz KVXCDWDDCNAPRW-UOIKSKOESA-N -1 3 392.423 -0.017 20 0 GBADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001571310275 946465384 /nfs/dbraw/zinc/46/53/84/946465384.db2.gz AHAMAPDGGFFYBU-GWCFXTLKSA-N -1 3 392.445 -0.962 20 0 GBADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001571310275 946465383 /nfs/dbraw/zinc/46/53/83/946465383.db2.gz AHAMAPDGGFFYBU-GWCFXTLKSA-N -1 3 392.445 -0.962 20 0 GBADHM O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001571310276 946467088 /nfs/dbraw/zinc/46/70/88/946467088.db2.gz AHAMAPDGGFFYBU-GXFFZTMASA-N -1 3 392.445 -0.962 20 0 GBADHM O=C(N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001571310276 946467078 /nfs/dbraw/zinc/46/70/78/946467078.db2.gz AHAMAPDGGFFYBU-GXFFZTMASA-N -1 3 392.445 -0.962 20 0 GBADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001571310277 946466303 /nfs/dbraw/zinc/46/63/03/946466303.db2.gz AHAMAPDGGFFYBU-MFKMUULPSA-N -1 3 392.445 -0.962 20 0 GBADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@@H]1CCS(=O)(=O)N1 ZINC001571310277 946466298 /nfs/dbraw/zinc/46/62/98/946466298.db2.gz AHAMAPDGGFFYBU-MFKMUULPSA-N -1 3 392.445 -0.962 20 0 GBADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001571310278 946465510 /nfs/dbraw/zinc/46/55/10/946465510.db2.gz AHAMAPDGGFFYBU-ZWNOBZJWSA-N -1 3 392.445 -0.962 20 0 GBADHM O=C(N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)[C@H]1CCS(=O)(=O)N1 ZINC001571310278 946465505 /nfs/dbraw/zinc/46/55/05/946465505.db2.gz AHAMAPDGGFFYBU-ZWNOBZJWSA-N -1 3 392.445 -0.962 20 0 GBADHM O=C1OCC[C@H]1N1CCC(NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC001571310320 946468933 /nfs/dbraw/zinc/46/89/33/946468933.db2.gz BKDIDHFXMQHGMK-CYBMUJFWSA-N -1 3 392.441 -0.075 20 0 GBADHM O=C1OCC[C@H]1N1CCC(NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC001571310320 946468927 /nfs/dbraw/zinc/46/89/27/946468927.db2.gz BKDIDHFXMQHGMK-CYBMUJFWSA-N -1 3 392.441 -0.075 20 0 GBADHM O=C1OCC[C@@H]1N1CCC(NS(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC001571310321 946467964 /nfs/dbraw/zinc/46/79/64/946467964.db2.gz BKDIDHFXMQHGMK-ZDUSSCGKSA-N -1 3 392.441 -0.075 20 0 GBADHM O=C1OCC[C@@H]1N1CCC(NS(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC001571310321 946467960 /nfs/dbraw/zinc/46/79/60/946467960.db2.gz BKDIDHFXMQHGMK-ZDUSSCGKSA-N -1 3 392.441 -0.075 20 0 GBADHM Cc1nsc(NC[C@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)c1-c1nnn[n-]1 ZINC001571310377 946471610 /nfs/dbraw/zinc/47/16/10/946471610.db2.gz DJASJRCJPRLULO-UWVGGRQHSA-N -1 3 392.445 -0.450 20 0 GBADHM Cc1nsc(NC[C@@H]2CN(C(=O)[C@@H]3CCC(=O)N3)CCO2)c1-c1nnn[n-]1 ZINC001571310378 946470389 /nfs/dbraw/zinc/47/03/89/946470389.db2.gz DJASJRCJPRLULO-ZJUUUORDSA-N -1 3 392.445 -0.450 20 0 GBADHM C[S@](=N)(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571310452 946473980 /nfs/dbraw/zinc/47/39/80/946473980.db2.gz GLFPFKKTYADKSM-HHHXNRCGSA-N -1 3 392.445 -0.668 20 0 GBADHM C[S@](=N)(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571310452 946473969 /nfs/dbraw/zinc/47/39/69/946473969.db2.gz GLFPFKKTYADKSM-HHHXNRCGSA-N -1 3 392.445 -0.668 20 0 GBADHM C[S@@](=N)(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001571310453 946474229 /nfs/dbraw/zinc/47/42/29/946474229.db2.gz GLFPFKKTYADKSM-MHZLTWQESA-N -1 3 392.445 -0.668 20 0 GBADHM C[S@@](=N)(=O)N1CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001571310453 946474219 /nfs/dbraw/zinc/47/42/19/946474219.db2.gz GLFPFKKTYADKSM-MHZLTWQESA-N -1 3 392.445 -0.668 20 0 GBADHM Cc1nsc(N2CC[C@H](NC(=O)CN3CCOCC3=O)C2)c1-c1nnn[n-]1 ZINC001571310457 946472925 /nfs/dbraw/zinc/47/29/25/946472925.db2.gz GLWHUKJYUKIHEE-JTQLQIEISA-N -1 3 392.445 -0.815 20 0 GBADHM CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CC(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571310507 946474286 /nfs/dbraw/zinc/47/42/86/946474286.db2.gz HWFYIOOEAOVTOC-CBINBANVSA-N -1 3 392.445 -0.645 20 0 GBADHM CN(C(=O)[C@@H]1CCS(=O)(=O)N1)C1CC(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571310507 946474279 /nfs/dbraw/zinc/47/42/79/946474279.db2.gz HWFYIOOEAOVTOC-CBINBANVSA-N -1 3 392.445 -0.645 20 0 GBADHM CN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CC(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571310508 946473756 /nfs/dbraw/zinc/47/37/56/946473756.db2.gz HWFYIOOEAOVTOC-RTYFJBAXSA-N -1 3 392.445 -0.645 20 0 GBADHM CN(C(=O)[C@H]1CCS(=O)(=O)N1)C1CC(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571310508 946473746 /nfs/dbraw/zinc/47/37/46/946473746.db2.gz HWFYIOOEAOVTOC-RTYFJBAXSA-N -1 3 392.445 -0.645 20 0 GBADHM Cc1ccc(S(=O)(=O)N[C@@H]2C(=O)NCC23CCOCC3)c(-c2nn[n-]n2)c1 ZINC001571310575 946476622 /nfs/dbraw/zinc/47/66/22/946476622.db2.gz JMBLTVQOWVGXNE-CYBMUJFWSA-N -1 3 392.441 -0.251 20 0 GBADHM Cc1ccc(S(=O)(=O)N[C@@H]2C(=O)NCC23CCOCC3)c(-c2nnn[n-]2)c1 ZINC001571310575 946476619 /nfs/dbraw/zinc/47/66/19/946476619.db2.gz JMBLTVQOWVGXNE-CYBMUJFWSA-N -1 3 392.441 -0.251 20 0 GBADHM Cc1ccc(S(=O)(=O)N[C@H]2C(=O)NCC23CCOCC3)c(-c2nn[n-]n2)c1 ZINC001571310576 946476380 /nfs/dbraw/zinc/47/63/80/946476380.db2.gz JMBLTVQOWVGXNE-ZDUSSCGKSA-N -1 3 392.441 -0.251 20 0 GBADHM Cc1ccc(S(=O)(=O)N[C@H]2C(=O)NCC23CCOCC3)c(-c2nnn[n-]2)c1 ZINC001571310576 946476374 /nfs/dbraw/zinc/47/63/74/946476374.db2.gz JMBLTVQOWVGXNE-ZDUSSCGKSA-N -1 3 392.441 -0.251 20 0 GBADHM Cc1nsc(N[C@H]2CCN(C(=O)CN3CCOCC3=O)C2)c1-c1nnn[n-]1 ZINC001571310589 946475052 /nfs/dbraw/zinc/47/50/52/946475052.db2.gz JYNGRYWXMNXTJR-JTQLQIEISA-N -1 3 392.445 -0.497 20 0 GBADHM Cc1nsc(N[C@@H]2CCN(C(=O)CN3CCOCC3=O)C2)c1-c1nnn[n-]1 ZINC001571310590 946476043 /nfs/dbraw/zinc/47/60/43/946476043.db2.gz JYNGRYWXMNXTJR-SNVBAGLBSA-N -1 3 392.445 -0.497 20 0 GBADHM O=C1N(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C[C@H]2CCCCN12 ZINC001571310629 946477629 /nfs/dbraw/zinc/47/76/29/946477629.db2.gz LCWMIJRZUDDPCI-GFCCVEGCSA-N -1 3 392.445 -0.170 20 0 GBADHM O=C1N(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C[C@H]2CCCCN12 ZINC001571310629 946477621 /nfs/dbraw/zinc/47/76/21/946477621.db2.gz LCWMIJRZUDDPCI-GFCCVEGCSA-N -1 3 392.445 -0.170 20 0 GBADHM O=C1N(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C[C@@H]2CCCCN12 ZINC001571310630 946476939 /nfs/dbraw/zinc/47/69/39/946476939.db2.gz LCWMIJRZUDDPCI-LBPRGKRZSA-N -1 3 392.445 -0.170 20 0 GBADHM O=C1N(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C[C@@H]2CCCCN12 ZINC001571310630 946476936 /nfs/dbraw/zinc/47/69/36/946476936.db2.gz LCWMIJRZUDDPCI-LBPRGKRZSA-N -1 3 392.445 -0.170 20 0 GBADHM Cc1nc(N[C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)ccc1-c1nn[n-]n1 ZINC001571310632 946477912 /nfs/dbraw/zinc/47/79/12/946477912.db2.gz LGJDXRXVHLRPAV-CMPLNLGQSA-N -1 3 392.445 -0.725 20 0 GBADHM Cc1nc(N[C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)N3)C2)ccc1-c1nnn[n-]1 ZINC001571310632 946477905 /nfs/dbraw/zinc/47/79/05/946477905.db2.gz LGJDXRXVHLRPAV-CMPLNLGQSA-N -1 3 392.445 -0.725 20 0 GBADHM Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)ccc1-c1nn[n-]n1 ZINC001571310633 946478250 /nfs/dbraw/zinc/47/82/50/946478250.db2.gz LGJDXRXVHLRPAV-JQWIXIFHSA-N -1 3 392.445 -0.725 20 0 GBADHM Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)N3)C2)ccc1-c1nnn[n-]1 ZINC001571310633 946478243 /nfs/dbraw/zinc/47/82/43/946478243.db2.gz LGJDXRXVHLRPAV-JQWIXIFHSA-N -1 3 392.445 -0.725 20 0 GBADHM O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571310858 946479086 /nfs/dbraw/zinc/47/90/86/946479086.db2.gz OJLHERIJSSIGFO-CMPLNLGQSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571310858 946479079 /nfs/dbraw/zinc/47/90/79/946479079.db2.gz OJLHERIJSSIGFO-CMPLNLGQSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571310859 946479430 /nfs/dbraw/zinc/47/94/30/946479430.db2.gz OJLHERIJSSIGFO-JQWIXIFHSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571310859 946479425 /nfs/dbraw/zinc/47/94/25/946479425.db2.gz OJLHERIJSSIGFO-JQWIXIFHSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571310860 946478884 /nfs/dbraw/zinc/47/88/84/946478884.db2.gz OJLHERIJSSIGFO-PWSUYJOCSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571310860 946478876 /nfs/dbraw/zinc/47/88/76/946478876.db2.gz OJLHERIJSSIGFO-PWSUYJOCSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001571310861 946479391 /nfs/dbraw/zinc/47/93/91/946479391.db2.gz OJLHERIJSSIGFO-ZYHUDNBSSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001571310861 946479382 /nfs/dbraw/zinc/47/93/82/946479382.db2.gz OJLHERIJSSIGFO-ZYHUDNBSSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571310966 946480780 /nfs/dbraw/zinc/48/07/80/946480780.db2.gz OOESXGLGWPTXAH-CMPLNLGQSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571310966 946480773 /nfs/dbraw/zinc/48/07/73/946480773.db2.gz OOESXGLGWPTXAH-CMPLNLGQSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571310967 946480621 /nfs/dbraw/zinc/48/06/21/946480621.db2.gz OOESXGLGWPTXAH-JQWIXIFHSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571310967 946480619 /nfs/dbraw/zinc/48/06/19/946480619.db2.gz OOESXGLGWPTXAH-JQWIXIFHSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571310968 946481702 /nfs/dbraw/zinc/48/17/02/946481702.db2.gz OOESXGLGWPTXAH-PWSUYJOCSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@@H]1CCS(=O)(=O)N1)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571310968 946481695 /nfs/dbraw/zinc/48/16/95/946481695.db2.gz OOESXGLGWPTXAH-PWSUYJOCSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001571310969 946481253 /nfs/dbraw/zinc/48/12/53/946481253.db2.gz OOESXGLGWPTXAH-ZYHUDNBSSA-N -1 3 392.445 -0.644 20 0 GBADHM O=C([C@H]1CCS(=O)(=O)N1)N1CCC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001571310969 946481244 /nfs/dbraw/zinc/48/12/44/946481244.db2.gz OOESXGLGWPTXAH-ZYHUDNBSSA-N -1 3 392.445 -0.644 20 0 GBADHM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001571311021 946481906 /nfs/dbraw/zinc/48/19/06/946481906.db2.gz PZNHHDIJJHFOSI-BFHYXJOUSA-N -1 3 392.441 -0.555 20 0 GBADHM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001571311021 946481901 /nfs/dbraw/zinc/48/19/01/946481901.db2.gz PZNHHDIJJHFOSI-BFHYXJOUSA-N -1 3 392.441 -0.555 20 0 GBADHM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001571311022 946481458 /nfs/dbraw/zinc/48/14/58/946481458.db2.gz PZNHHDIJJHFOSI-HZSPNIEDSA-N -1 3 392.441 -0.555 20 0 GBADHM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001571311022 946481451 /nfs/dbraw/zinc/48/14/51/946481451.db2.gz PZNHHDIJJHFOSI-HZSPNIEDSA-N -1 3 392.441 -0.555 20 0 GBADHM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001571311023 946481723 /nfs/dbraw/zinc/48/17/23/946481723.db2.gz PZNHHDIJJHFOSI-MELADBBJSA-N -1 3 392.441 -0.555 20 0 GBADHM CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001571311023 946481717 /nfs/dbraw/zinc/48/17/17/946481717.db2.gz PZNHHDIJJHFOSI-MELADBBJSA-N -1 3 392.441 -0.555 20 0 GBADHM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001571311024 946481274 /nfs/dbraw/zinc/48/12/74/946481274.db2.gz PZNHHDIJJHFOSI-MGPQQGTHSA-N -1 3 392.441 -0.555 20 0 GBADHM CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001571311024 946481268 /nfs/dbraw/zinc/48/12/68/946481268.db2.gz PZNHHDIJJHFOSI-MGPQQGTHSA-N -1 3 392.441 -0.555 20 0 GBADHM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001571311329 946485429 /nfs/dbraw/zinc/48/54/29/946485429.db2.gz WERWRMGHIHTQCW-HZSPNIEDSA-N -1 3 392.441 -0.890 20 0 GBADHM O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC001571311335 946485183 /nfs/dbraw/zinc/48/51/83/946485183.db2.gz WERWRMGHIHTQCW-MGPQQGTHSA-N -1 3 392.441 -0.890 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571311483 946490124 /nfs/dbraw/zinc/49/01/24/946490124.db2.gz YTIQSBLWIPGIJK-FRJFDASCSA-N -1 3 392.441 -0.030 20 0 GBADHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571311483 946490122 /nfs/dbraw/zinc/49/01/22/946490122.db2.gz YTIQSBLWIPGIJK-FRJFDASCSA-N -1 3 392.441 -0.030 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571311484 946489394 /nfs/dbraw/zinc/48/93/94/946489394.db2.gz YTIQSBLWIPGIJK-IMJCEVDSSA-N -1 3 392.441 -0.030 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001571311484 946489387 /nfs/dbraw/zinc/48/93/87/946489387.db2.gz YTIQSBLWIPGIJK-IMJCEVDSSA-N -1 3 392.441 -0.030 20 0 GBADHM CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001571311485 946489997 /nfs/dbraw/zinc/48/99/97/946489997.db2.gz YUDTYXRXJORRAM-CRWXNKLISA-N -1 3 392.441 -0.863 20 0 GBADHM CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001571311485 946489990 /nfs/dbraw/zinc/48/99/90/946489990.db2.gz YUDTYXRXJORRAM-CRWXNKLISA-N -1 3 392.441 -0.863 20 0 GBADHM CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@@H](C(N)=O)c3ccc(-c4nn[n-]n4)cc3)C[C@H]21 ZINC001571311486 946489823 /nfs/dbraw/zinc/48/98/23/946489823.db2.gz YUDTYXRXJORRAM-RFQIPJPRSA-N -1 3 392.441 -0.863 20 0 GBADHM CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@@H](C(N)=O)c3ccc(-c4nnn[n-]4)cc3)C[C@H]21 ZINC001571311486 946489816 /nfs/dbraw/zinc/48/98/16/946489816.db2.gz YUDTYXRXJORRAM-RFQIPJPRSA-N -1 3 392.441 -0.863 20 0 GBADHM CO[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001571311490 946489272 /nfs/dbraw/zinc/48/92/72/946489272.db2.gz ZATKUXZFDJIWJQ-UTINFBMNSA-N -1 3 392.445 -0.927 20 0 GBADHM O=C(CN1CCS(=O)(=O)[C@H]2COCC[C@@H]21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001571311513 946488767 /nfs/dbraw/zinc/48/87/67/946488767.db2.gz ZKGZTEVFMPFCBH-KBPBESRZSA-N -1 3 392.441 -0.307 20 0 GBADHM O=C(CN1CCS(=O)(=O)[C@H]2COCC[C@@H]21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001571311513 946488760 /nfs/dbraw/zinc/48/87/60/946488760.db2.gz ZKGZTEVFMPFCBH-KBPBESRZSA-N -1 3 392.441 -0.307 20 0 GBADHM O=C(CN1CCS(=O)(=O)[C@H]2COCC[C@H]21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001571311515 946489141 /nfs/dbraw/zinc/48/91/41/946489141.db2.gz ZKGZTEVFMPFCBH-KGLIPLIRSA-N -1 3 392.441 -0.307 20 0 GBADHM O=C(CN1CCS(=O)(=O)[C@H]2COCC[C@H]21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001571311515 946489135 /nfs/dbraw/zinc/48/91/35/946489135.db2.gz ZKGZTEVFMPFCBH-KGLIPLIRSA-N -1 3 392.441 -0.307 20 0 GBADHM O=C(CN1CCS(=O)(=O)[C@@H]2COCC[C@@H]21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001571311518 946489567 /nfs/dbraw/zinc/48/95/67/946489567.db2.gz ZKGZTEVFMPFCBH-UONOGXRCSA-N -1 3 392.441 -0.307 20 0 GBADHM O=C(CN1CCS(=O)(=O)[C@@H]2COCC[C@@H]21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001571311518 946489563 /nfs/dbraw/zinc/48/95/63/946489563.db2.gz ZKGZTEVFMPFCBH-UONOGXRCSA-N -1 3 392.441 -0.307 20 0 GBADHM O=C(CN1CCS(=O)(=O)[C@@H]2COCC[C@H]21)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001571311521 946489110 /nfs/dbraw/zinc/48/91/10/946489110.db2.gz ZKGZTEVFMPFCBH-ZIAGYGMSSA-N -1 3 392.441 -0.307 20 0 GBADHM O=C(CN1CCS(=O)(=O)[C@@H]2COCC[C@H]21)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001571311521 946489102 /nfs/dbraw/zinc/48/91/02/946489102.db2.gz ZKGZTEVFMPFCBH-ZIAGYGMSSA-N -1 3 392.441 -0.307 20 0 GBADHM O=C(Cn1cc(C2CC2)nn1)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001571313607 946527351 /nfs/dbraw/zinc/52/73/51/946527351.db2.gz UKXRBXVCFFFWME-VIKVFOODSA-N -1 3 392.427 -0.018 20 0 GBADHM O=C(Cn1cc(C2CC2)nn1)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001571313607 946527336 /nfs/dbraw/zinc/52/73/36/946527336.db2.gz UKXRBXVCFFFWME-VIKVFOODSA-N -1 3 392.427 -0.018 20 0 GBADHM CC(C)(C)NC(=O)CNC(=O)CN1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001571317271 946604094 /nfs/dbraw/zinc/60/40/94/946604094.db2.gz AHRBIXVSPFJPJN-UHFFFAOYSA-N -1 3 392.489 -0.101 20 0 GBADHM CC(C)(C)NC(=O)CNC(=O)CN1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001571317271 946604090 /nfs/dbraw/zinc/60/40/90/946604090.db2.gz AHRBIXVSPFJPJN-UHFFFAOYSA-N -1 3 392.489 -0.101 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)c1cc(Cl)no1 ZINC001571317463 946610997 /nfs/dbraw/zinc/61/09/97/946610997.db2.gz JEFUWVULVYIVIK-BDAKNGLRSA-N -1 3 392.763 -0.549 20 0 GBADHM O=C(N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)c1cc(Cl)no1 ZINC001571317463 946610987 /nfs/dbraw/zinc/61/09/87/946610987.db2.gz JEFUWVULVYIVIK-BDAKNGLRSA-N -1 3 392.763 -0.549 20 0 GBADHM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCN3C)C2)c1-c1nnn[n-]1 ZINC001571317479 946610390 /nfs/dbraw/zinc/61/03/90/946610390.db2.gz JIASPJZEMSOVDR-GRYCIOLGSA-N -1 3 392.489 -0.218 20 0 GBADHM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCN3C)C2)c1-c1nnn[n-]1 ZINC001571317480 946612084 /nfs/dbraw/zinc/61/20/84/946612084.db2.gz JIASPJZEMSOVDR-IJLUTSLNSA-N -1 3 392.489 -0.218 20 0 GBADHM NS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)C1 ZINC001571317494 946611581 /nfs/dbraw/zinc/61/15/81/946611581.db2.gz JZCYYFKGTDZMQB-MRVPVSSYSA-N -1 3 392.488 -0.632 20 0 GBADHM NS(=O)(=O)C[C@H]1CCN(S(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)C1 ZINC001571317495 946610616 /nfs/dbraw/zinc/61/06/16/946610616.db2.gz JZCYYFKGTDZMQB-QMMMGPOBSA-N -1 3 392.488 -0.632 20 0 GBADHM Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)CN3CCOCC3)C2)c1-c1nnn[n-]1 ZINC001571317545 946613019 /nfs/dbraw/zinc/61/30/19/946613019.db2.gz LYFIFVWFTYUAIH-ZYHUDNBSSA-N -1 3 392.489 -0.095 20 0 GBADHM CS(=O)(=O)NC1CN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2Cl)C1 ZINC001571317620 946616108 /nfs/dbraw/zinc/61/61/08/946616108.db2.gz OKRRACYUBVCGJY-UHFFFAOYSA-N -1 3 392.850 -0.558 20 0 GBADHM CS(=O)(=O)NC1CN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)C1 ZINC001571317620 946616099 /nfs/dbraw/zinc/61/60/99/946616099.db2.gz OKRRACYUBVCGJY-UHFFFAOYSA-N -1 3 392.850 -0.558 20 0 GBADHM CC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573363057 947707789 /nfs/dbraw/zinc/70/77/89/947707789.db2.gz AVMSBCFPFFTHNZ-UHFFFAOYSA-N -1 3 392.441 -0.027 20 0 GBADHM CC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573363057 947707779 /nfs/dbraw/zinc/70/77/79/947707779.db2.gz AVMSBCFPFFTHNZ-UHFFFAOYSA-N -1 3 392.441 -0.027 20 0 GBADHM CC(=O)C1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573363273 947710001 /nfs/dbraw/zinc/71/00/01/947710001.db2.gz BMALGFNWDSNYHS-SECBINFHSA-N -1 3 378.414 -0.229 20 0 GBADHM CC(=O)C1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573363273 947709991 /nfs/dbraw/zinc/70/99/91/947709991.db2.gz BMALGFNWDSNYHS-SECBINFHSA-N -1 3 378.414 -0.229 20 0 GBADHM CC(=O)C1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573363291 947710147 /nfs/dbraw/zinc/71/01/47/947710147.db2.gz BMALGFNWDSNYHS-VIFPVBQESA-N -1 3 378.414 -0.229 20 0 GBADHM CC(=O)C1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573363291 947710141 /nfs/dbraw/zinc/71/01/41/947710141.db2.gz BMALGFNWDSNYHS-VIFPVBQESA-N -1 3 378.414 -0.229 20 0 GBADHM CC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001573367078 947752159 /nfs/dbraw/zinc/75/21/59/947752159.db2.gz WSXLIONJXUMZDW-UHFFFAOYSA-N -1 3 392.441 -0.027 20 0 GBADHM CC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001573367078 947752152 /nfs/dbraw/zinc/75/21/52/947752152.db2.gz WSXLIONJXUMZDW-UHFFFAOYSA-N -1 3 392.441 -0.027 20 0 GBADHM CC(=O)CCCC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573367193 947754445 /nfs/dbraw/zinc/75/44/45/947754445.db2.gz AIYRQMQXOJWLOK-UHFFFAOYSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573367193 947754436 /nfs/dbraw/zinc/75/44/36/947754436.db2.gz AIYRQMQXOJWLOK-UHFFFAOYSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573367752 947762994 /nfs/dbraw/zinc/76/29/94/947762994.db2.gz HRZOHTZRGVULDM-GFCCVEGCSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573367752 947762988 /nfs/dbraw/zinc/76/29/88/947762988.db2.gz HRZOHTZRGVULDM-GFCCVEGCSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573367753 947763232 /nfs/dbraw/zinc/76/32/32/947763232.db2.gz HRZOHTZRGVULDM-LBPRGKRZSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573367753 947763225 /nfs/dbraw/zinc/76/32/25/947763225.db2.gz HRZOHTZRGVULDM-LBPRGKRZSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573368047 947766194 /nfs/dbraw/zinc/76/61/94/947766194.db2.gz LIXKLRUSTHRQCR-CYBMUJFWSA-N -1 3 391.432 -0.155 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573368047 947766189 /nfs/dbraw/zinc/76/61/89/947766189.db2.gz LIXKLRUSTHRQCR-CYBMUJFWSA-N -1 3 391.432 -0.155 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573368049 947767053 /nfs/dbraw/zinc/76/70/53/947767053.db2.gz LIXKLRUSTHRQCR-ZDUSSCGKSA-N -1 3 391.432 -0.155 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573368049 947767047 /nfs/dbraw/zinc/76/70/47/947767047.db2.gz LIXKLRUSTHRQCR-ZDUSSCGKSA-N -1 3 391.432 -0.155 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573368357 947767975 /nfs/dbraw/zinc/76/79/75/947767975.db2.gz NJQMTFIYOWTJRP-GFCCVEGCSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573368357 947767965 /nfs/dbraw/zinc/76/79/65/947767965.db2.gz NJQMTFIYOWTJRP-GFCCVEGCSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573368358 947768479 /nfs/dbraw/zinc/76/84/79/947768479.db2.gz NJQMTFIYOWTJRP-LBPRGKRZSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573368358 947768473 /nfs/dbraw/zinc/76/84/73/947768473.db2.gz NJQMTFIYOWTJRP-LBPRGKRZSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573368755 947768786 /nfs/dbraw/zinc/76/87/86/947768786.db2.gz OSSHENYDISHHPO-UHFFFAOYSA-N -1 3 375.389 -0.743 20 0 GBADHM CC(=O)CCCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573368755 947768779 /nfs/dbraw/zinc/76/87/79/947768779.db2.gz OSSHENYDISHHPO-UHFFFAOYSA-N -1 3 375.389 -0.743 20 0 GBADHM CC(=O)CCCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573369564 947773856 /nfs/dbraw/zinc/77/38/56/947773856.db2.gz URZFBALCVUJQSI-UHFFFAOYSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573369564 947773850 /nfs/dbraw/zinc/77/38/50/947773850.db2.gz URZFBALCVUJQSI-UHFFFAOYSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573369794 947776508 /nfs/dbraw/zinc/77/65/08/947776508.db2.gz WSDRXAWFSNJJSN-CYBMUJFWSA-N -1 3 391.432 -0.155 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573369794 947776504 /nfs/dbraw/zinc/77/65/04/947776504.db2.gz WSDRXAWFSNJJSN-CYBMUJFWSA-N -1 3 391.432 -0.155 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573369795 947776024 /nfs/dbraw/zinc/77/60/24/947776024.db2.gz WSDRXAWFSNJJSN-ZDUSSCGKSA-N -1 3 391.432 -0.155 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573369795 947776017 /nfs/dbraw/zinc/77/60/17/947776017.db2.gz WSDRXAWFSNJJSN-ZDUSSCGKSA-N -1 3 391.432 -0.155 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573369841 947778945 /nfs/dbraw/zinc/77/89/45/947778945.db2.gz XXBHBAFMPDDLRG-GFCCVEGCSA-N -1 3 391.432 -0.155 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573369841 947778938 /nfs/dbraw/zinc/77/89/38/947778938.db2.gz XXBHBAFMPDDLRG-GFCCVEGCSA-N -1 3 391.432 -0.155 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573369842 947778591 /nfs/dbraw/zinc/77/85/91/947778591.db2.gz XXBHBAFMPDDLRG-LBPRGKRZSA-N -1 3 391.432 -0.155 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573369842 947778585 /nfs/dbraw/zinc/77/85/85/947778585.db2.gz XXBHBAFMPDDLRG-LBPRGKRZSA-N -1 3 391.432 -0.155 20 0 GBADHM CC(=O)CCCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573369862 947778270 /nfs/dbraw/zinc/77/82/70/947778270.db2.gz YORZUKVKMJFIHM-UHFFFAOYSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573369862 947778260 /nfs/dbraw/zinc/77/82/60/947778260.db2.gz YORZUKVKMJFIHM-UHFFFAOYSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573369924 947780408 /nfs/dbraw/zinc/78/04/08/947780408.db2.gz ZPCPCJWZZIAOFV-UHFFFAOYSA-N -1 3 375.389 -0.743 20 0 GBADHM CC(=O)CCCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573369924 947780405 /nfs/dbraw/zinc/78/04/05/947780405.db2.gz ZPCPCJWZZIAOFV-UHFFFAOYSA-N -1 3 375.389 -0.743 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573369933 947780706 /nfs/dbraw/zinc/78/07/06/947780706.db2.gz ZRFHQZHLRWMWOH-LLVKDONJSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573369933 947780701 /nfs/dbraw/zinc/78/07/01/947780701.db2.gz ZRFHQZHLRWMWOH-LLVKDONJSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573369934 947779697 /nfs/dbraw/zinc/77/96/97/947779697.db2.gz ZRFHQZHLRWMWOH-NSHDSACASA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573369934 947779686 /nfs/dbraw/zinc/77/96/86/947779686.db2.gz ZRFHQZHLRWMWOH-NSHDSACASA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573372691 947782331 /nfs/dbraw/zinc/78/23/31/947782331.db2.gz CDWYDBGRDQTWNJ-KRWDZBQOSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573372691 947782324 /nfs/dbraw/zinc/78/23/24/947782324.db2.gz CDWYDBGRDQTWNJ-KRWDZBQOSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573372692 947782349 /nfs/dbraw/zinc/78/23/49/947782349.db2.gz CDWYDBGRDQTWNJ-QGZVFWFLSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573372692 947782346 /nfs/dbraw/zinc/78/23/46/947782346.db2.gz CDWYDBGRDQTWNJ-QGZVFWFLSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001573372847 947784323 /nfs/dbraw/zinc/78/43/23/947784323.db2.gz DTVPEEHPVFCWMC-GXTWGEPZSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001573372847 947784316 /nfs/dbraw/zinc/78/43/16/947784316.db2.gz DTVPEEHPVFCWMC-GXTWGEPZSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573372848 947784852 /nfs/dbraw/zinc/78/48/52/947784852.db2.gz DTVPEEHPVFCWMC-JSGCOSHPSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573372848 947784846 /nfs/dbraw/zinc/78/48/46/947784846.db2.gz DTVPEEHPVFCWMC-JSGCOSHPSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573372849 947785169 /nfs/dbraw/zinc/78/51/69/947785169.db2.gz DTVPEEHPVFCWMC-OCCSQVGLSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573372849 947785163 /nfs/dbraw/zinc/78/51/63/947785163.db2.gz DTVPEEHPVFCWMC-OCCSQVGLSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](O)C1 ZINC001573372850 947783590 /nfs/dbraw/zinc/78/35/90/947783590.db2.gz DTVPEEHPVFCWMC-TZMCWYRMSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](O)C1 ZINC001573372850 947783582 /nfs/dbraw/zinc/78/35/82/947783582.db2.gz DTVPEEHPVFCWMC-TZMCWYRMSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001573372912 947786915 /nfs/dbraw/zinc/78/69/15/947786915.db2.gz FXZFFVASISBPLO-GXTWGEPZSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001573372912 947786907 /nfs/dbraw/zinc/78/69/07/947786907.db2.gz FXZFFVASISBPLO-GXTWGEPZSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001573372913 947786550 /nfs/dbraw/zinc/78/65/50/947786550.db2.gz FXZFFVASISBPLO-JSGCOSHPSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001573372913 947786543 /nfs/dbraw/zinc/78/65/43/947786543.db2.gz FXZFFVASISBPLO-JSGCOSHPSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001573372914 947787041 /nfs/dbraw/zinc/78/70/41/947787041.db2.gz FXZFFVASISBPLO-OCCSQVGLSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001573372914 947787034 /nfs/dbraw/zinc/78/70/34/947787034.db2.gz FXZFFVASISBPLO-OCCSQVGLSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001573372915 947785767 /nfs/dbraw/zinc/78/57/67/947785767.db2.gz FXZFFVASISBPLO-TZMCWYRMSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001573372915 947785761 /nfs/dbraw/zinc/78/57/61/947785761.db2.gz FXZFFVASISBPLO-TZMCWYRMSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573373098 947789392 /nfs/dbraw/zinc/78/93/92/947789392.db2.gz AWYIEWHPSIMMGP-UHFFFAOYSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC1(CCO)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573373098 947789385 /nfs/dbraw/zinc/78/93/85/947789385.db2.gz AWYIEWHPSIMMGP-UHFFFAOYSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573373901 947801829 /nfs/dbraw/zinc/80/18/29/947801829.db2.gz GVMINDWELFOMAG-UHFFFAOYSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573373901 947801821 /nfs/dbraw/zinc/80/18/21/947801821.db2.gz GVMINDWELFOMAG-UHFFFAOYSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573374051 947804693 /nfs/dbraw/zinc/80/46/93/947804693.db2.gz MHNYZOHGXXCHGI-KRWDZBQOSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573374051 947804685 /nfs/dbraw/zinc/80/46/85/947804685.db2.gz MHNYZOHGXXCHGI-KRWDZBQOSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573374055 947803832 /nfs/dbraw/zinc/80/38/32/947803832.db2.gz MHNYZOHGXXCHGI-QGZVFWFLSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573374055 947803826 /nfs/dbraw/zinc/80/38/26/947803826.db2.gz MHNYZOHGXXCHGI-QGZVFWFLSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001573375690 947823163 /nfs/dbraw/zinc/82/31/63/947823163.db2.gz QBEVLVCCHMHREK-GXTWGEPZSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001573375690 947823155 /nfs/dbraw/zinc/82/31/55/947823155.db2.gz QBEVLVCCHMHREK-GXTWGEPZSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001573375692 947825971 /nfs/dbraw/zinc/82/59/71/947825971.db2.gz QBEVLVCCHMHREK-JSGCOSHPSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001573375692 947825965 /nfs/dbraw/zinc/82/59/65/947825965.db2.gz QBEVLVCCHMHREK-JSGCOSHPSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001573375694 947825416 /nfs/dbraw/zinc/82/54/16/947825416.db2.gz QBEVLVCCHMHREK-OCCSQVGLSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001573375694 947825406 /nfs/dbraw/zinc/82/54/06/947825406.db2.gz QBEVLVCCHMHREK-OCCSQVGLSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001573375696 947825111 /nfs/dbraw/zinc/82/51/11/947825111.db2.gz QBEVLVCCHMHREK-TZMCWYRMSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001573375696 947825100 /nfs/dbraw/zinc/82/51/00/947825100.db2.gz QBEVLVCCHMHREK-TZMCWYRMSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573376276 947835168 /nfs/dbraw/zinc/83/51/68/947835168.db2.gz XHSRMRXAOAJMOY-KRWDZBQOSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573376276 947835160 /nfs/dbraw/zinc/83/51/60/947835160.db2.gz XHSRMRXAOAJMOY-KRWDZBQOSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573376277 947833808 /nfs/dbraw/zinc/83/38/08/947833808.db2.gz XHSRMRXAOAJMOY-QGZVFWFLSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573376277 947833804 /nfs/dbraw/zinc/83/38/04/947833804.db2.gz XHSRMRXAOAJMOY-QGZVFWFLSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573376342 947836001 /nfs/dbraw/zinc/83/60/01/947836001.db2.gz VBVHEWGDFNQSOK-BXUZGUMPSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573376342 947835993 /nfs/dbraw/zinc/83/59/93/947835993.db2.gz VBVHEWGDFNQSOK-BXUZGUMPSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001573376345 947835967 /nfs/dbraw/zinc/83/59/67/947835967.db2.gz VBVHEWGDFNQSOK-FZMZJTMJSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001573376345 947835965 /nfs/dbraw/zinc/83/59/65/947835965.db2.gz VBVHEWGDFNQSOK-FZMZJTMJSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001573376349 947837069 /nfs/dbraw/zinc/83/70/69/947837069.db2.gz VBVHEWGDFNQSOK-RISCZKNCSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001573376349 947837061 /nfs/dbraw/zinc/83/70/61/947837061.db2.gz VBVHEWGDFNQSOK-RISCZKNCSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573376352 947836493 /nfs/dbraw/zinc/83/64/93/947836493.db2.gz VBVHEWGDFNQSOK-SMDDNHRTSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573376352 947836488 /nfs/dbraw/zinc/83/64/88/947836488.db2.gz VBVHEWGDFNQSOK-SMDDNHRTSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573376428 947836083 /nfs/dbraw/zinc/83/60/83/947836083.db2.gz VLJHZFDQJCXXDS-UHFFFAOYSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC1(CCO)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573376428 947836079 /nfs/dbraw/zinc/83/60/79/947836079.db2.gz VLJHZFDQJCXXDS-UHFFFAOYSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573376653 947840480 /nfs/dbraw/zinc/84/04/80/947840480.db2.gz AKUJCTSPLBQRGB-CHWSQXEVSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573376653 947840476 /nfs/dbraw/zinc/84/04/76/947840476.db2.gz AKUJCTSPLBQRGB-CHWSQXEVSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001573376656 947840654 /nfs/dbraw/zinc/84/06/54/947840654.db2.gz AKUJCTSPLBQRGB-OLZOCXBDSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001573376656 947840647 /nfs/dbraw/zinc/84/06/47/947840647.db2.gz AKUJCTSPLBQRGB-OLZOCXBDSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573376711 947840964 /nfs/dbraw/zinc/84/09/64/947840964.db2.gz DAGOYWQABSQGRR-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCOC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573376711 947840961 /nfs/dbraw/zinc/84/09/61/947840961.db2.gz DAGOYWQABSQGRR-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573376714 947840837 /nfs/dbraw/zinc/84/08/37/947840837.db2.gz DAGOYWQABSQGRR-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573376714 947840828 /nfs/dbraw/zinc/84/08/28/947840828.db2.gz DAGOYWQABSQGRR-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573376838 947841538 /nfs/dbraw/zinc/84/15/38/947841538.db2.gz ZBANNGBMTXEJSC-GXTWGEPZSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001573376838 947841533 /nfs/dbraw/zinc/84/15/33/947841533.db2.gz ZBANNGBMTXEJSC-GXTWGEPZSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573376839 947841349 /nfs/dbraw/zinc/84/13/49/947841349.db2.gz ZBANNGBMTXEJSC-JSGCOSHPSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001573376839 947841339 /nfs/dbraw/zinc/84/13/39/947841339.db2.gz ZBANNGBMTXEJSC-JSGCOSHPSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573376840 947842914 /nfs/dbraw/zinc/84/29/14/947842914.db2.gz ZBANNGBMTXEJSC-OCCSQVGLSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001573376840 947842910 /nfs/dbraw/zinc/84/29/10/947842910.db2.gz ZBANNGBMTXEJSC-OCCSQVGLSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573376841 947842784 /nfs/dbraw/zinc/84/27/84/947842784.db2.gz ZBANNGBMTXEJSC-TZMCWYRMSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001573376841 947842778 /nfs/dbraw/zinc/84/27/78/947842778.db2.gz ZBANNGBMTXEJSC-TZMCWYRMSA-N -1 3 389.416 -0.354 20 0 GBADHM CC(=O)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573376925 947843801 /nfs/dbraw/zinc/84/38/01/947843801.db2.gz FLOCWQQCLZRQGE-CHWSQXEVSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573376925 947843794 /nfs/dbraw/zinc/84/37/94/947843794.db2.gz FLOCWQQCLZRQGE-CHWSQXEVSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573376926 947844936 /nfs/dbraw/zinc/84/49/36/947844936.db2.gz FLOCWQQCLZRQGE-OLZOCXBDSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573376926 947844927 /nfs/dbraw/zinc/84/49/27/947844927.db2.gz FLOCWQQCLZRQGE-OLZOCXBDSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573376950 947846783 /nfs/dbraw/zinc/84/67/83/947846783.db2.gz GDUMARGTFMOHJC-GFCCVEGCSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573376950 947846779 /nfs/dbraw/zinc/84/67/79/947846779.db2.gz GDUMARGTFMOHJC-GFCCVEGCSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573376951 947845990 /nfs/dbraw/zinc/84/59/90/947845990.db2.gz GDUMARGTFMOHJC-LBPRGKRZSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573376951 947845984 /nfs/dbraw/zinc/84/59/84/947845984.db2.gz GDUMARGTFMOHJC-LBPRGKRZSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573377111 947846888 /nfs/dbraw/zinc/84/68/88/947846888.db2.gz IITPZLUZYUSTDY-CHWSQXEVSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573377111 947846883 /nfs/dbraw/zinc/84/68/83/947846883.db2.gz IITPZLUZYUSTDY-CHWSQXEVSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001573377112 947847065 /nfs/dbraw/zinc/84/70/65/947847065.db2.gz IITPZLUZYUSTDY-OLZOCXBDSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001573377112 947847063 /nfs/dbraw/zinc/84/70/63/947847063.db2.gz IITPZLUZYUSTDY-OLZOCXBDSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573377169 947848594 /nfs/dbraw/zinc/84/85/94/947848594.db2.gz JUUAVZMUWFORSD-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573377169 947848583 /nfs/dbraw/zinc/84/85/83/947848583.db2.gz JUUAVZMUWFORSD-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573377172 947847740 /nfs/dbraw/zinc/84/77/40/947847740.db2.gz JUUAVZMUWFORSD-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573377172 947847734 /nfs/dbraw/zinc/84/77/34/947847734.db2.gz JUUAVZMUWFORSD-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573377361 947848126 /nfs/dbraw/zinc/84/81/26/947848126.db2.gz KQKUJODEJLQVEF-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCOC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573377361 947848124 /nfs/dbraw/zinc/84/81/24/947848124.db2.gz KQKUJODEJLQVEF-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573377362 947847993 /nfs/dbraw/zinc/84/79/93/947847993.db2.gz KQKUJODEJLQVEF-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573377362 947847991 /nfs/dbraw/zinc/84/79/91/947847991.db2.gz KQKUJODEJLQVEF-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573377900 947853098 /nfs/dbraw/zinc/85/30/98/947853098.db2.gz SMKRWCRLBVXOBQ-GFCCVEGCSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCOC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573377900 947853093 /nfs/dbraw/zinc/85/30/93/947853093.db2.gz SMKRWCRLBVXOBQ-GFCCVEGCSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573377904 947851929 /nfs/dbraw/zinc/85/19/29/947851929.db2.gz SMKRWCRLBVXOBQ-LBPRGKRZSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCOC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573377904 947851923 /nfs/dbraw/zinc/85/19/23/947851923.db2.gz SMKRWCRLBVXOBQ-LBPRGKRZSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573378355 947857778 /nfs/dbraw/zinc/85/77/78/947857778.db2.gz ZYZNZBXYZMCJOZ-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573378355 947857769 /nfs/dbraw/zinc/85/77/69/947857769.db2.gz ZYZNZBXYZMCJOZ-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573378358 947856239 /nfs/dbraw/zinc/85/62/39/947856239.db2.gz ZYZNZBXYZMCJOZ-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573378358 947856227 /nfs/dbraw/zinc/85/62/27/947856227.db2.gz ZYZNZBXYZMCJOZ-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573380485 947858552 /nfs/dbraw/zinc/85/85/52/947858552.db2.gz CTQDTANQNIUHAK-KRWDZBQOSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573380485 947858548 /nfs/dbraw/zinc/85/85/48/947858548.db2.gz CTQDTANQNIUHAK-KRWDZBQOSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573380486 947858502 /nfs/dbraw/zinc/85/85/02/947858502.db2.gz CTQDTANQNIUHAK-QGZVFWFLSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573380486 947858497 /nfs/dbraw/zinc/85/84/97/947858497.db2.gz CTQDTANQNIUHAK-QGZVFWFLSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573380725 947862863 /nfs/dbraw/zinc/86/28/63/947862863.db2.gz GWIQWFWCYZGGBZ-GFCCVEGCSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573380725 947862859 /nfs/dbraw/zinc/86/28/59/947862859.db2.gz GWIQWFWCYZGGBZ-GFCCVEGCSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573380726 947863974 /nfs/dbraw/zinc/86/39/74/947863974.db2.gz GWIQWFWCYZGGBZ-LBPRGKRZSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573380726 947863970 /nfs/dbraw/zinc/86/39/70/947863970.db2.gz GWIQWFWCYZGGBZ-LBPRGKRZSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573380734 947863432 /nfs/dbraw/zinc/86/34/32/947863432.db2.gz HARIOBKKISBLRL-KRWDZBQOSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573380734 947863431 /nfs/dbraw/zinc/86/34/31/947863431.db2.gz HARIOBKKISBLRL-KRWDZBQOSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573380735 947863055 /nfs/dbraw/zinc/86/30/55/947863055.db2.gz HARIOBKKISBLRL-QGZVFWFLSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573380735 947863050 /nfs/dbraw/zinc/86/30/50/947863050.db2.gz HARIOBKKISBLRL-QGZVFWFLSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573381233 947870237 /nfs/dbraw/zinc/87/02/37/947870237.db2.gz RNGXDDXEOAEKMM-GFCCVEGCSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573381233 947870229 /nfs/dbraw/zinc/87/02/29/947870229.db2.gz RNGXDDXEOAEKMM-GFCCVEGCSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573381234 947870478 /nfs/dbraw/zinc/87/04/78/947870478.db2.gz RNGXDDXEOAEKMM-LBPRGKRZSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573381234 947870472 /nfs/dbraw/zinc/87/04/72/947870472.db2.gz RNGXDDXEOAEKMM-LBPRGKRZSA-N -1 3 377.405 -0.497 20 0 GBADHM CC(=O)CCCC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573381668 947877881 /nfs/dbraw/zinc/87/78/81/947877881.db2.gz XPZRKSNJLSNZTE-UHFFFAOYSA-N -1 3 375.389 -0.743 20 0 GBADHM CC(=O)CCCC(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573381668 947877874 /nfs/dbraw/zinc/87/78/74/947877874.db2.gz XPZRKSNJLSNZTE-UHFFFAOYSA-N -1 3 375.389 -0.743 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573381923 947879142 /nfs/dbraw/zinc/87/91/42/947879142.db2.gz ZRMKKQVEAXSNIH-KRWDZBQOSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573381923 947879137 /nfs/dbraw/zinc/87/91/37/947879137.db2.gz ZRMKKQVEAXSNIH-KRWDZBQOSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573381924 947879760 /nfs/dbraw/zinc/87/97/60/947879760.db2.gz ZRMKKQVEAXSNIH-QGZVFWFLSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573381924 947879755 /nfs/dbraw/zinc/87/97/55/947879755.db2.gz ZRMKKQVEAXSNIH-QGZVFWFLSA-N -1 3 389.416 -0.353 20 0 GBADHM CC(=O)CCCC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573381927 947878339 /nfs/dbraw/zinc/87/83/39/947878339.db2.gz ZUKVTDODHYNOBK-UHFFFAOYSA-N -1 3 375.389 -0.743 20 0 GBADHM CC(=O)CCCC(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573381927 947878329 /nfs/dbraw/zinc/87/83/29/947878329.db2.gz ZUKVTDODHYNOBK-UHFFFAOYSA-N -1 3 375.389 -0.743 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573382063 947881535 /nfs/dbraw/zinc/88/15/35/947881535.db2.gz DEJNCERHSZNLGR-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573382063 947881532 /nfs/dbraw/zinc/88/15/32/947881532.db2.gz DEJNCERHSZNLGR-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573382067 947881443 /nfs/dbraw/zinc/88/14/43/947881443.db2.gz DEJNCERHSZNLGR-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573382067 947881438 /nfs/dbraw/zinc/88/14/38/947881438.db2.gz DEJNCERHSZNLGR-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573382719 947886297 /nfs/dbraw/zinc/88/62/97/947886297.db2.gz JTWSOGPDRPOUKW-CHWSQXEVSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573382719 947886288 /nfs/dbraw/zinc/88/62/88/947886288.db2.gz JTWSOGPDRPOUKW-CHWSQXEVSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001573382721 947886504 /nfs/dbraw/zinc/88/65/04/947886504.db2.gz JTWSOGPDRPOUKW-OLZOCXBDSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001573382721 947886495 /nfs/dbraw/zinc/88/64/95/947886495.db2.gz JTWSOGPDRPOUKW-OLZOCXBDSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001573382788 947888340 /nfs/dbraw/zinc/88/83/40/947888340.db2.gz KVOFLRIXXZGXOU-CHWSQXEVSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001573382788 947888333 /nfs/dbraw/zinc/88/83/33/947888333.db2.gz KVOFLRIXXZGXOU-CHWSQXEVSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001573382793 947887814 /nfs/dbraw/zinc/88/78/14/947887814.db2.gz KVOFLRIXXZGXOU-OLZOCXBDSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001573382793 947887807 /nfs/dbraw/zinc/88/78/07/947887807.db2.gz KVOFLRIXXZGXOU-OLZOCXBDSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573382880 947887664 /nfs/dbraw/zinc/88/76/64/947887664.db2.gz MNHDBYLAMDNHCU-GFCCVEGCSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573382880 947887655 /nfs/dbraw/zinc/88/76/55/947887655.db2.gz MNHDBYLAMDNHCU-GFCCVEGCSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573382881 947888730 /nfs/dbraw/zinc/88/87/30/947888730.db2.gz MNHDBYLAMDNHCU-LBPRGKRZSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573382881 947888725 /nfs/dbraw/zinc/88/87/25/947888725.db2.gz MNHDBYLAMDNHCU-LBPRGKRZSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573383189 947889880 /nfs/dbraw/zinc/88/98/80/947889880.db2.gz PBRSZTNHDDDBKN-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573383189 947889874 /nfs/dbraw/zinc/88/98/74/947889874.db2.gz PBRSZTNHDDDBKN-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573383190 947891170 /nfs/dbraw/zinc/89/11/70/947891170.db2.gz PBRSZTNHDDDBKN-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573383190 947891161 /nfs/dbraw/zinc/89/11/61/947891161.db2.gz PBRSZTNHDDDBKN-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573383194 947889660 /nfs/dbraw/zinc/88/96/60/947889660.db2.gz PEYREMKOPDRZNP-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573383194 947889653 /nfs/dbraw/zinc/88/96/53/947889653.db2.gz PEYREMKOPDRZNP-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573383195 947891024 /nfs/dbraw/zinc/89/10/24/947891024.db2.gz PEYREMKOPDRZNP-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573383195 947891017 /nfs/dbraw/zinc/89/10/17/947891017.db2.gz PEYREMKOPDRZNP-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573383455 947892340 /nfs/dbraw/zinc/89/23/40/947892340.db2.gz REZHFHUEFQKRMJ-CHWSQXEVSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001573383455 947892331 /nfs/dbraw/zinc/89/23/31/947892331.db2.gz REZHFHUEFQKRMJ-CHWSQXEVSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573383456 947893173 /nfs/dbraw/zinc/89/31/73/947893173.db2.gz REZHFHUEFQKRMJ-OLZOCXBDSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001573383456 947893165 /nfs/dbraw/zinc/89/31/65/947893165.db2.gz REZHFHUEFQKRMJ-OLZOCXBDSA-N -1 3 375.389 -0.744 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573383521 947892214 /nfs/dbraw/zinc/89/22/14/947892214.db2.gz UXIKVADCQGDAMK-GFCCVEGCSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573383521 947892207 /nfs/dbraw/zinc/89/22/07/947892207.db2.gz UXIKVADCQGDAMK-GFCCVEGCSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573383522 947892047 /nfs/dbraw/zinc/89/20/47/947892047.db2.gz UXIKVADCQGDAMK-LBPRGKRZSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573383522 947892041 /nfs/dbraw/zinc/89/20/41/947892041.db2.gz UXIKVADCQGDAMK-LBPRGKRZSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CN(C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001573383836 947896304 /nfs/dbraw/zinc/89/63/04/947896304.db2.gz CEHXPGGCZXTKPV-UHFFFAOYSA-N -1 3 380.430 -0.029 20 0 GBADHM CC(=O)CN(C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001573383836 947896297 /nfs/dbraw/zinc/89/62/97/947896297.db2.gz CEHXPGGCZXTKPV-UHFFFAOYSA-N -1 3 380.430 -0.029 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573383840 947898172 /nfs/dbraw/zinc/89/81/72/947898172.db2.gz YASJTJGUCDHCCV-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573383840 947898166 /nfs/dbraw/zinc/89/81/66/947898166.db2.gz YASJTJGUCDHCCV-CYBMUJFWSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573383844 947896439 /nfs/dbraw/zinc/89/64/39/947896439.db2.gz YASJTJGUCDHCCV-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)CCCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573383844 947896433 /nfs/dbraw/zinc/89/64/33/947896433.db2.gz YASJTJGUCDHCCV-ZDUSSCGKSA-N -1 3 389.416 -0.089 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573387406 947910540 /nfs/dbraw/zinc/91/05/40/947910540.db2.gz AFGVQLLQLZERQE-AWEZNQCLSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573387406 947910524 /nfs/dbraw/zinc/91/05/24/947910524.db2.gz AFGVQLLQLZERQE-AWEZNQCLSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573387408 947911379 /nfs/dbraw/zinc/91/13/79/947911379.db2.gz AFGVQLLQLZERQE-CQSZACIVSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573387408 947911368 /nfs/dbraw/zinc/91/13/68/947911368.db2.gz AFGVQLLQLZERQE-CQSZACIVSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@@H]1C ZINC001573387434 947910362 /nfs/dbraw/zinc/91/03/62/947910362.db2.gz APWVQCIONZZTGI-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@@H]1C ZINC001573387434 947910351 /nfs/dbraw/zinc/91/03/51/947910351.db2.gz APWVQCIONZZTGI-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@@H]1C ZINC001573387435 947910384 /nfs/dbraw/zinc/91/03/84/947910384.db2.gz APWVQCIONZZTGI-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC[C@@H]1C ZINC001573387435 947910373 /nfs/dbraw/zinc/91/03/73/947910373.db2.gz APWVQCIONZZTGI-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC[C@H]1C ZINC001573387436 947911668 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BNAOZEBPOJWIOB-NSHDSACASA-N -1 3 379.396 -0.285 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573387524 947910252 /nfs/dbraw/zinc/91/02/52/947910252.db2.gz BNAOZEBPOJWIOB-NSHDSACASA-N -1 3 379.396 -0.285 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573387587 947911587 /nfs/dbraw/zinc/91/15/87/947911587.db2.gz CNJWSHIAKBWLCN-UHFFFAOYSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573387587 947911583 /nfs/dbraw/zinc/91/15/83/947911583.db2.gz CNJWSHIAKBWLCN-UHFFFAOYSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573387652 947912777 /nfs/dbraw/zinc/91/27/77/947912777.db2.gz CYOILGGLKPJRTC-GFCCVEGCSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573387652 947912769 /nfs/dbraw/zinc/91/27/69/947912769.db2.gz CYOILGGLKPJRTC-GFCCVEGCSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573387656 947913740 /nfs/dbraw/zinc/91/37/40/947913740.db2.gz CYOILGGLKPJRTC-LBPRGKRZSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573387656 947913734 /nfs/dbraw/zinc/91/37/34/947913734.db2.gz CYOILGGLKPJRTC-LBPRGKRZSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573387830 947912221 /nfs/dbraw/zinc/91/22/21/947912221.db2.gz DVQLTEPJGDASDE-UHFFFAOYSA-N -1 3 386.416 -0.652 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573387830 947912217 /nfs/dbraw/zinc/91/22/17/947912217.db2.gz DVQLTEPJGDASDE-UHFFFAOYSA-N -1 3 386.416 -0.652 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573387864 947913321 /nfs/dbraw/zinc/91/33/21/947913321.db2.gz FIGNNAQPIVSDEA-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573387864 947913312 /nfs/dbraw/zinc/91/33/12/947913312.db2.gz FIGNNAQPIVSDEA-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573387868 947912271 /nfs/dbraw/zinc/91/22/71/947912271.db2.gz FNHAPUYVKSBRIR-UHFFFAOYSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573387868 947912262 /nfs/dbraw/zinc/91/22/62/947912262.db2.gz FNHAPUYVKSBRIR-UHFFFAOYSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573387895 947913350 /nfs/dbraw/zinc/91/33/50/947913350.db2.gz FYOHRFNMVJMYIK-GFCCVEGCSA-N -1 3 376.421 -0.720 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573387895 947913340 /nfs/dbraw/zinc/91/33/40/947913340.db2.gz FYOHRFNMVJMYIK-GFCCVEGCSA-N -1 3 376.421 -0.720 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573387897 947912153 /nfs/dbraw/zinc/91/21/53/947912153.db2.gz FYOHRFNMVJMYIK-LBPRGKRZSA-N -1 3 376.421 -0.720 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573387897 947912147 /nfs/dbraw/zinc/91/21/47/947912147.db2.gz FYOHRFNMVJMYIK-LBPRGKRZSA-N -1 3 376.421 -0.720 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573387926 947915663 /nfs/dbraw/zinc/91/56/63/947915663.db2.gz GJIMKHJKYYGHGY-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573387926 947915657 /nfs/dbraw/zinc/91/56/57/947915657.db2.gz GJIMKHJKYYGHGY-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573387940 947915383 /nfs/dbraw/zinc/91/53/83/947915383.db2.gz GLJRZBJSAMEZEP-AWEZNQCLSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573387940 947915377 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/nfs/dbraw/zinc/91/53/01/947915301.db2.gz GRXVVBIHXQONPN-LBPRGKRZSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573387950 947915294 /nfs/dbraw/zinc/91/52/94/947915294.db2.gz GRXVVBIHXQONPN-LBPRGKRZSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573388063 947915085 /nfs/dbraw/zinc/91/50/85/947915085.db2.gz HIVARPBRKXBPJG-UHFFFAOYSA-N -1 3 386.416 -0.652 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573388063 947915078 /nfs/dbraw/zinc/91/50/78/947915078.db2.gz HIVARPBRKXBPJG-UHFFFAOYSA-N -1 3 386.416 -0.652 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573388081 947914662 /nfs/dbraw/zinc/91/46/62/947914662.db2.gz HSGVUFOZVBNKEJ-UHFFFAOYSA-N -1 3 390.448 -0.113 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573388081 947914653 /nfs/dbraw/zinc/91/46/53/947914653.db2.gz HSGVUFOZVBNKEJ-UHFFFAOYSA-N -1 3 390.448 -0.113 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCO)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573388169 947916459 /nfs/dbraw/zinc/91/64/59/947916459.db2.gz IZGQENPLULBYHO-UHFFFAOYSA-N -1 3 382.450 -0.657 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573388210 947916501 /nfs/dbraw/zinc/91/65/01/947916501.db2.gz JBYASSCGEAUPSF-GFCCVEGCSA-N -1 3 376.396 -0.084 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573388210 947916496 /nfs/dbraw/zinc/91/64/96/947916496.db2.gz JBYASSCGEAUPSF-GFCCVEGCSA-N -1 3 376.396 -0.084 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573388220 947916365 /nfs/dbraw/zinc/91/63/65/947916365.db2.gz JBYASSCGEAUPSF-LBPRGKRZSA-N -1 3 376.396 -0.084 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573388220 947916360 /nfs/dbraw/zinc/91/63/60/947916360.db2.gz JBYASSCGEAUPSF-LBPRGKRZSA-N -1 3 376.396 -0.084 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573388222 947917249 /nfs/dbraw/zinc/91/72/49/947917249.db2.gz JHAJFUKPBNFBSN-UHFFFAOYSA-N -1 3 376.421 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573388222 947917245 /nfs/dbraw/zinc/91/72/45/947917245.db2.gz JHAJFUKPBNFBSN-UHFFFAOYSA-N -1 3 376.421 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573388226 947916276 /nfs/dbraw/zinc/91/62/76/947916276.db2.gz JJAGCNRNLMSWEZ-UHFFFAOYSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573388226 947916269 /nfs/dbraw/zinc/91/62/69/947916269.db2.gz JJAGCNRNLMSWEZ-UHFFFAOYSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573388241 947916583 /nfs/dbraw/zinc/91/65/83/947916583.db2.gz JQFFEGRIAONKML-CYBMUJFWSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573388241 947916575 /nfs/dbraw/zinc/91/65/75/947916575.db2.gz JQFFEGRIAONKML-CYBMUJFWSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573388242 947917113 /nfs/dbraw/zinc/91/71/13/947917113.db2.gz JQFFEGRIAONKML-ZDUSSCGKSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573388242 947917105 /nfs/dbraw/zinc/91/71/05/947917105.db2.gz JQFFEGRIAONKML-ZDUSSCGKSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001573388300 947919249 /nfs/dbraw/zinc/91/92/49/947919249.db2.gz KOFXPVHIIRUWPA-CYBMUJFWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001573388300 947919243 /nfs/dbraw/zinc/91/92/43/947919243.db2.gz KOFXPVHIIRUWPA-CYBMUJFWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001573388301 947919395 /nfs/dbraw/zinc/91/93/95/947919395.db2.gz KOFXPVHIIRUWPA-ZDUSSCGKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001573388301 947919390 /nfs/dbraw/zinc/91/93/90/947919390.db2.gz KOFXPVHIIRUWPA-ZDUSSCGKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573388303 947918249 /nfs/dbraw/zinc/91/82/49/947918249.db2.gz KSGPGKUEWFYXPJ-GFCCVEGCSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573388303 947918244 /nfs/dbraw/zinc/91/82/44/947918244.db2.gz KSGPGKUEWFYXPJ-GFCCVEGCSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573388305 947918349 /nfs/dbraw/zinc/91/83/49/947918349.db2.gz KSGPGKUEWFYXPJ-LBPRGKRZSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573388305 947918343 /nfs/dbraw/zinc/91/83/43/947918343.db2.gz KSGPGKUEWFYXPJ-LBPRGKRZSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCO)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573388331 947918556 /nfs/dbraw/zinc/91/85/56/947918556.db2.gz LAMLCFOFMHQFCB-UHFFFAOYSA-N -1 3 376.421 -0.719 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCO)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573388331 947918548 /nfs/dbraw/zinc/91/85/48/947918548.db2.gz LAMLCFOFMHQFCB-UHFFFAOYSA-N -1 3 376.421 -0.719 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573388350 947918845 /nfs/dbraw/zinc/91/88/45/947918845.db2.gz LHFZBUCHDPHAAZ-GWCFXTLKSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573388350 947918838 /nfs/dbraw/zinc/91/88/38/947918838.db2.gz LHFZBUCHDPHAAZ-GWCFXTLKSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573388352 947918938 /nfs/dbraw/zinc/91/89/38/947918938.db2.gz LHFZBUCHDPHAAZ-GXFFZTMASA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573388352 947918932 /nfs/dbraw/zinc/91/89/32/947918932.db2.gz LHFZBUCHDPHAAZ-GXFFZTMASA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573388355 947918531 /nfs/dbraw/zinc/91/85/31/947918531.db2.gz LHFZBUCHDPHAAZ-MFKMUULPSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573388355 947918523 /nfs/dbraw/zinc/91/85/23/947918523.db2.gz LHFZBUCHDPHAAZ-MFKMUULPSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573388357 947918500 /nfs/dbraw/zinc/91/85/00/947918500.db2.gz LHFZBUCHDPHAAZ-ZWNOBZJWSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573388357 947918495 /nfs/dbraw/zinc/91/84/95/947918495.db2.gz LHFZBUCHDPHAAZ-ZWNOBZJWSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573388383 947918957 /nfs/dbraw/zinc/91/89/57/947918957.db2.gz LSWBYJHPJDALSG-AWEZNQCLSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573388383 947918951 /nfs/dbraw/zinc/91/89/51/947918951.db2.gz LSWBYJHPJDALSG-AWEZNQCLSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573388385 947918821 /nfs/dbraw/zinc/91/88/21/947918821.db2.gz LSWBYJHPJDALSG-CQSZACIVSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573388385 947918813 /nfs/dbraw/zinc/91/88/13/947918813.db2.gz LSWBYJHPJDALSG-CQSZACIVSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573388626 947920751 /nfs/dbraw/zinc/92/07/51/947920751.db2.gz MXHURTIVICRUEF-UHFFFAOYSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573388626 947920745 /nfs/dbraw/zinc/92/07/45/947920745.db2.gz MXHURTIVICRUEF-UHFFFAOYSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573388696 947920855 /nfs/dbraw/zinc/92/08/55/947920855.db2.gz NTHSPDJYHDEXJO-GWCFXTLKSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573388696 947920847 /nfs/dbraw/zinc/92/08/47/947920847.db2.gz NTHSPDJYHDEXJO-GWCFXTLKSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573388697 947920708 /nfs/dbraw/zinc/92/07/08/947920708.db2.gz NTHSPDJYHDEXJO-GXFFZTMASA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573388697 947920701 /nfs/dbraw/zinc/92/07/01/947920701.db2.gz NTHSPDJYHDEXJO-GXFFZTMASA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573388698 947920976 /nfs/dbraw/zinc/92/09/76/947920976.db2.gz NTHSPDJYHDEXJO-MFKMUULPSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573388698 947920969 /nfs/dbraw/zinc/92/09/69/947920969.db2.gz NTHSPDJYHDEXJO-MFKMUULPSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001573388699 947921026 /nfs/dbraw/zinc/92/10/26/947921026.db2.gz NTHSPDJYHDEXJO-ZWNOBZJWSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001573388699 947921019 /nfs/dbraw/zinc/92/10/19/947921019.db2.gz NTHSPDJYHDEXJO-ZWNOBZJWSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573388705 947920217 /nfs/dbraw/zinc/92/02/17/947920217.db2.gz NYJLAHMATYGGJC-GFCCVEGCSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573388705 947920215 /nfs/dbraw/zinc/92/02/15/947920215.db2.gz NYJLAHMATYGGJC-GFCCVEGCSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573388706 947920685 /nfs/dbraw/zinc/92/06/85/947920685.db2.gz NYJLAHMATYGGJC-LBPRGKRZSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573388706 947920678 /nfs/dbraw/zinc/92/06/78/947920678.db2.gz NYJLAHMATYGGJC-LBPRGKRZSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573388722 947920207 /nfs/dbraw/zinc/92/02/07/947920207.db2.gz OEMBSJTVORLZOP-UHFFFAOYSA-N -1 3 390.448 -0.113 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573388722 947920206 /nfs/dbraw/zinc/92/02/06/947920206.db2.gz OEMBSJTVORLZOP-UHFFFAOYSA-N -1 3 390.448 -0.113 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573389033 947922638 /nfs/dbraw/zinc/92/26/38/947922638.db2.gz PDOMWAIKDWPXJS-CMPLNLGQSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573389033 947922634 /nfs/dbraw/zinc/92/26/34/947922634.db2.gz PDOMWAIKDWPXJS-CMPLNLGQSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573389035 947922151 /nfs/dbraw/zinc/92/21/51/947922151.db2.gz PDOMWAIKDWPXJS-JQWIXIFHSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573389035 947922148 /nfs/dbraw/zinc/92/21/48/947922148.db2.gz PDOMWAIKDWPXJS-JQWIXIFHSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573389037 947922083 /nfs/dbraw/zinc/92/20/83/947922083.db2.gz PDOMWAIKDWPXJS-PWSUYJOCSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573389037 947922080 /nfs/dbraw/zinc/92/20/80/947922080.db2.gz PDOMWAIKDWPXJS-PWSUYJOCSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001573389039 947921996 /nfs/dbraw/zinc/92/19/96/947921996.db2.gz PDOMWAIKDWPXJS-ZYHUDNBSSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001573389039 947921991 /nfs/dbraw/zinc/92/19/91/947921991.db2.gz PDOMWAIKDWPXJS-ZYHUDNBSSA-N -1 3 388.432 -0.503 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573389079 947922056 /nfs/dbraw/zinc/92/20/56/947922056.db2.gz PPQMGDPWYWBHHS-UHFFFAOYSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573389079 947922052 /nfs/dbraw/zinc/92/20/52/947922052.db2.gz PPQMGDPWYWBHHS-UHFFFAOYSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573389098 947922225 /nfs/dbraw/zinc/92/22/25/947922225.db2.gz PWZKSJXAGJGHIP-UHFFFAOYSA-N -1 3 390.448 -0.113 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573389098 947922219 /nfs/dbraw/zinc/92/22/19/947922219.db2.gz PWZKSJXAGJGHIP-UHFFFAOYSA-N -1 3 390.448 -0.113 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573389108 947924533 /nfs/dbraw/zinc/92/45/33/947924533.db2.gz QDEBMMHPDVALHR-LLVKDONJSA-N -1 3 380.384 -0.890 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573389108 947924530 /nfs/dbraw/zinc/92/45/30/947924530.db2.gz QDEBMMHPDVALHR-LLVKDONJSA-N -1 3 380.384 -0.890 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573389109 947923779 /nfs/dbraw/zinc/92/37/79/947923779.db2.gz QDEBMMHPDVALHR-NSHDSACASA-N -1 3 380.384 -0.890 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573389109 947923772 /nfs/dbraw/zinc/92/37/72/947923772.db2.gz QDEBMMHPDVALHR-NSHDSACASA-N -1 3 380.384 -0.890 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573389125 947924174 /nfs/dbraw/zinc/92/41/74/947924174.db2.gz QOOONCYPFXGVOT-CYBMUJFWSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573389125 947924168 /nfs/dbraw/zinc/92/41/68/947924168.db2.gz QOOONCYPFXGVOT-CYBMUJFWSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573389126 947924149 /nfs/dbraw/zinc/92/41/49/947924149.db2.gz QOOONCYPFXGVOT-ZDUSSCGKSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573389126 947924142 /nfs/dbraw/zinc/92/41/42/947924142.db2.gz QOOONCYPFXGVOT-ZDUSSCGKSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573389483 947924398 /nfs/dbraw/zinc/92/43/98/947924398.db2.gz ROZYRESXDQPTPY-UHFFFAOYSA-N -1 3 376.421 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573389483 947924392 /nfs/dbraw/zinc/92/43/92/947924392.db2.gz ROZYRESXDQPTPY-UHFFFAOYSA-N -1 3 376.421 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573389496 947924121 /nfs/dbraw/zinc/92/41/21/947924121.db2.gz RTCXGVFMHDJVKG-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573389496 947924111 /nfs/dbraw/zinc/92/41/11/947924111.db2.gz RTCXGVFMHDJVKG-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C ZINC001573389544 947926302 /nfs/dbraw/zinc/92/63/02/947926302.db2.gz SKRWEYLVPQOPHH-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1C ZINC001573389544 947926297 /nfs/dbraw/zinc/92/62/97/947926297.db2.gz SKRWEYLVPQOPHH-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C ZINC001573389545 947925919 /nfs/dbraw/zinc/92/59/19/947925919.db2.gz SKRWEYLVPQOPHH-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1C ZINC001573389545 947925911 /nfs/dbraw/zinc/92/59/11/947925911.db2.gz SKRWEYLVPQOPHH-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C ZINC001573389546 947925610 /nfs/dbraw/zinc/92/56/10/947925610.db2.gz SKRWEYLVPQOPHH-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1C ZINC001573389546 947925606 /nfs/dbraw/zinc/92/56/06/947925606.db2.gz SKRWEYLVPQOPHH-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C ZINC001573389547 947925755 /nfs/dbraw/zinc/92/57/55/947925755.db2.gz SKRWEYLVPQOPHH-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1C ZINC001573389547 947925748 /nfs/dbraw/zinc/92/57/48/947925748.db2.gz SKRWEYLVPQOPHH-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573389567 947926372 /nfs/dbraw/zinc/92/63/72/947926372.db2.gz SWKPSLFZMBRZEV-UHFFFAOYSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573389567 947926365 /nfs/dbraw/zinc/92/63/65/947926365.db2.gz SWKPSLFZMBRZEV-UHFFFAOYSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573389582 947926515 /nfs/dbraw/zinc/92/65/15/947926515.db2.gz UFNCPZQCEVVWGG-CYBMUJFWSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573389582 947926511 /nfs/dbraw/zinc/92/65/11/947926511.db2.gz UFNCPZQCEVVWGG-CYBMUJFWSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573389584 947925981 /nfs/dbraw/zinc/92/59/81/947925981.db2.gz UFNCPZQCEVVWGG-ZDUSSCGKSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573389584 947925967 /nfs/dbraw/zinc/92/59/67/947925967.db2.gz UFNCPZQCEVVWGG-ZDUSSCGKSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001573389998 947928113 /nfs/dbraw/zinc/92/81/13/947928113.db2.gz VTSYIEZWADXORO-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001573389998 947928103 /nfs/dbraw/zinc/92/81/03/947928103.db2.gz VTSYIEZWADXORO-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001573390001 947928558 /nfs/dbraw/zinc/92/85/58/947928558.db2.gz VTSYIEZWADXORO-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001573390001 947928550 /nfs/dbraw/zinc/92/85/50/947928550.db2.gz VTSYIEZWADXORO-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1C ZINC001573390005 947928815 /nfs/dbraw/zinc/92/88/15/947928815.db2.gz VTSYIEZWADXORO-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1C ZINC001573390005 947928811 /nfs/dbraw/zinc/92/88/11/947928811.db2.gz VTSYIEZWADXORO-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1C ZINC001573390008 947928651 /nfs/dbraw/zinc/92/86/51/947928651.db2.gz VTSYIEZWADXORO-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1C ZINC001573390008 947928645 /nfs/dbraw/zinc/92/86/45/947928645.db2.gz VTSYIEZWADXORO-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573390082 947927980 /nfs/dbraw/zinc/92/79/80/947927980.db2.gz WDALFRVPHFAMLK-UHFFFAOYSA-N -1 3 386.416 -0.652 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573390082 947927970 /nfs/dbraw/zinc/92/79/70/947927970.db2.gz WDALFRVPHFAMLK-UHFFFAOYSA-N -1 3 386.416 -0.652 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCO)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001573390137 947927537 /nfs/dbraw/zinc/92/75/37/947927537.db2.gz WVIFACPQHSMQCW-UHFFFAOYSA-N -1 3 379.396 -0.283 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCO)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001573390137 947927529 /nfs/dbraw/zinc/92/75/29/947927529.db2.gz WVIFACPQHSMQCW-UHFFFAOYSA-N -1 3 379.396 -0.283 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573390155 947928802 /nfs/dbraw/zinc/92/88/02/947928802.db2.gz WYHFHYGXDJACFI-CYBMUJFWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573390155 947928798 /nfs/dbraw/zinc/92/87/98/947928798.db2.gz WYHFHYGXDJACFI-CYBMUJFWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573390158 947928487 /nfs/dbraw/zinc/92/84/87/947928487.db2.gz WYHFHYGXDJACFI-ZDUSSCGKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573390158 947928482 /nfs/dbraw/zinc/92/84/82/947928482.db2.gz WYHFHYGXDJACFI-ZDUSSCGKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573390542 947927807 /nfs/dbraw/zinc/92/78/07/947927807.db2.gz XSNPJJIZIFJKHQ-UHFFFAOYSA-N -1 3 376.421 -0.719 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573390542 947927798 /nfs/dbraw/zinc/92/77/98/947927798.db2.gz XSNPJJIZIFJKHQ-UHFFFAOYSA-N -1 3 376.421 -0.719 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573390557 947930144 /nfs/dbraw/zinc/93/01/44/947930144.db2.gz XWNJYFPSYAOCAK-CYBMUJFWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573390557 947930130 /nfs/dbraw/zinc/93/01/30/947930130.db2.gz XWNJYFPSYAOCAK-CYBMUJFWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573390559 947930724 /nfs/dbraw/zinc/93/07/24/947930724.db2.gz XWNJYFPSYAOCAK-ZDUSSCGKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573390559 947930716 /nfs/dbraw/zinc/93/07/16/947930716.db2.gz XWNJYFPSYAOCAK-ZDUSSCGKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573390563 947930783 /nfs/dbraw/zinc/93/07/83/947930783.db2.gz YAACQYRRUYZIPJ-GFCCVEGCSA-N -1 3 376.421 -0.720 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573390563 947930777 /nfs/dbraw/zinc/93/07/77/947930777.db2.gz YAACQYRRUYZIPJ-GFCCVEGCSA-N -1 3 376.421 -0.720 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573390564 947930623 /nfs/dbraw/zinc/93/06/23/947930623.db2.gz YAACQYRRUYZIPJ-LBPRGKRZSA-N -1 3 376.421 -0.720 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573390564 947930617 /nfs/dbraw/zinc/93/06/17/947930617.db2.gz YAACQYRRUYZIPJ-LBPRGKRZSA-N -1 3 376.421 -0.720 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573390595 947930170 /nfs/dbraw/zinc/93/01/70/947930170.db2.gz YSDLSVCABTYBSH-CYBMUJFWSA-N -1 3 390.448 -0.696 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@@H](O)CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573390595 947930160 /nfs/dbraw/zinc/93/01/60/947930160.db2.gz YSDLSVCABTYBSH-CYBMUJFWSA-N -1 3 390.448 -0.696 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H](O)CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573390596 947930202 /nfs/dbraw/zinc/93/02/02/947930202.db2.gz YSDLSVCABTYBSH-ZDUSSCGKSA-N -1 3 390.448 -0.696 20 0 GBADHM CC(=O)N(C)CC(=O)N(C)C[C@H](O)CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573390596 947930191 /nfs/dbraw/zinc/93/01/91/947930191.db2.gz YSDLSVCABTYBSH-ZDUSSCGKSA-N -1 3 390.448 -0.696 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573390627 947930706 /nfs/dbraw/zinc/93/07/06/947930706.db2.gz ZELUCQUPRBJCJY-UHFFFAOYSA-N -1 3 380.384 -0.888 20 0 GBADHM CC(=O)N(C)CC(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573390627 947930701 /nfs/dbraw/zinc/93/07/01/947930701.db2.gz ZELUCQUPRBJCJY-UHFFFAOYSA-N -1 3 380.384 -0.888 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573390787 947932374 /nfs/dbraw/zinc/93/23/74/947932374.db2.gz CEPNUHITSFZSQK-BXUZGUMPSA-N -1 3 388.432 -0.232 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573390787 947932367 /nfs/dbraw/zinc/93/23/67/947932367.db2.gz CEPNUHITSFZSQK-BXUZGUMPSA-N -1 3 388.432 -0.232 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573390794 947931970 /nfs/dbraw/zinc/93/19/70/947931970.db2.gz CEPNUHITSFZSQK-FZMZJTMJSA-N -1 3 388.432 -0.232 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573390794 947931959 /nfs/dbraw/zinc/93/19/59/947931959.db2.gz CEPNUHITSFZSQK-FZMZJTMJSA-N -1 3 388.432 -0.232 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573390799 947932619 /nfs/dbraw/zinc/93/26/19/947932619.db2.gz CEPNUHITSFZSQK-RISCZKNCSA-N -1 3 388.432 -0.232 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573390799 947932615 /nfs/dbraw/zinc/93/26/15/947932615.db2.gz CEPNUHITSFZSQK-RISCZKNCSA-N -1 3 388.432 -0.232 20 0 GBADHM 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ZINC001573391789 947938128 /nfs/dbraw/zinc/93/81/28/947938128.db2.gz KPUXMAYIKNJQDR-LBPRGKRZSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001573391957 947938474 /nfs/dbraw/zinc/93/84/74/947938474.db2.gz MTXHDFXJYUELFJ-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001573391957 947938470 /nfs/dbraw/zinc/93/84/70/947938470.db2.gz MTXHDFXJYUELFJ-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001573391958 947938688 /nfs/dbraw/zinc/93/86/88/947938688.db2.gz MTXHDFXJYUELFJ-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001573391958 947938684 /nfs/dbraw/zinc/93/86/84/947938684.db2.gz MTXHDFXJYUELFJ-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001573391959 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-1 3 388.432 -0.231 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573391972 947940455 /nfs/dbraw/zinc/94/04/55/947940455.db2.gz NFNPUPMUJAJUFQ-CQSZACIVSA-N -1 3 388.432 -0.231 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573391995 947940365 /nfs/dbraw/zinc/94/03/65/947940365.db2.gz OFPJOMCMCBZRPU-CYBMUJFWSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573391995 947940359 /nfs/dbraw/zinc/94/03/59/947940359.db2.gz OFPJOMCMCBZRPU-CYBMUJFWSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573391996 947939401 /nfs/dbraw/zinc/93/94/01/947939401.db2.gz OFPJOMCMCBZRPU-ZDUSSCGKSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573391996 947939395 /nfs/dbraw/zinc/93/93/95/947939395.db2.gz OFPJOMCMCBZRPU-ZDUSSCGKSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573392015 947940880 /nfs/dbraw/zinc/94/08/80/947940880.db2.gz PADPSKNNMPRFDC-SMDDNHRTSA-N -1 3 388.407 -0.084 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001573392015 947940872 /nfs/dbraw/zinc/94/08/72/947940872.db2.gz PADPSKNNMPRFDC-SMDDNHRTSA-N -1 3 388.407 -0.084 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001573392063 947940857 /nfs/dbraw/zinc/94/08/57/947940857.db2.gz QNHSHHVCISVOON-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001573392063 947940851 /nfs/dbraw/zinc/94/08/51/947940851.db2.gz QNHSHHVCISVOON-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001573392064 947939887 /nfs/dbraw/zinc/93/98/87/947939887.db2.gz QNHSHHVCISVOON-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C ZINC001573392064 947939882 /nfs/dbraw/zinc/93/98/82/947939882.db2.gz QNHSHHVCISVOON-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001573392065 947940731 /nfs/dbraw/zinc/94/07/31/947940731.db2.gz QNHSHHVCISVOON-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001573392065 947940724 /nfs/dbraw/zinc/94/07/24/947940724.db2.gz QNHSHHVCISVOON-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001573392066 947940786 /nfs/dbraw/zinc/94/07/86/947940786.db2.gz QNHSHHVCISVOON-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001573392066 947940772 /nfs/dbraw/zinc/94/07/72/947940772.db2.gz QNHSHHVCISVOON-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573392079 947942728 /nfs/dbraw/zinc/94/27/28/947942728.db2.gz RGRZGQPFMWHHCL-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573392079 947942722 /nfs/dbraw/zinc/94/27/22/947942722.db2.gz RGRZGQPFMWHHCL-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573392080 947942880 /nfs/dbraw/zinc/94/28/80/947942880.db2.gz RGRZGQPFMWHHCL-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573392080 947942874 /nfs/dbraw/zinc/94/28/74/947942874.db2.gz RGRZGQPFMWHHCL-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573392096 947942259 /nfs/dbraw/zinc/94/22/59/947942259.db2.gz RTYYLGJAIHAAJV-SMDDNHRTSA-N -1 3 386.416 -0.654 20 0 GBADHM 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ZINC001573392118 947942323 /nfs/dbraw/zinc/94/23/23/947942323.db2.gz SQWJPGSVOLCFNY-GFCCVEGCSA-N -1 3 392.395 -0.482 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573392118 947942316 /nfs/dbraw/zinc/94/23/16/947942316.db2.gz SQWJPGSVOLCFNY-GFCCVEGCSA-N -1 3 392.395 -0.482 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573392119 947942443 /nfs/dbraw/zinc/94/24/43/947942443.db2.gz SQWJPGSVOLCFNY-LBPRGKRZSA-N -1 3 392.395 -0.482 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@@H](CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573392119 947942433 /nfs/dbraw/zinc/94/24/33/947942433.db2.gz SQWJPGSVOLCFNY-LBPRGKRZSA-N -1 3 392.395 -0.482 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCCO[C@H](CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573392133 947942343 /nfs/dbraw/zinc/94/23/43/947942343.db2.gz UBUPVSKINPHERM-CYBMUJFWSA-N -1 3 388.432 -0.231 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCCO[C@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573392133 947942339 /nfs/dbraw/zinc/94/23/39/947942339.db2.gz 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CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392184 947944445 /nfs/dbraw/zinc/94/44/45/947944445.db2.gz VTXRKFVIUHOHEF-IAQYHMDHSA-N -1 3 388.432 -0.232 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573392185 947943679 /nfs/dbraw/zinc/94/36/79/947943679.db2.gz VTXRKFVIUHOHEF-NHYWBVRUSA-N -1 3 388.432 -0.232 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392185 947943669 /nfs/dbraw/zinc/94/36/69/947943669.db2.gz VTXRKFVIUHOHEF-NHYWBVRUSA-N -1 3 388.432 -0.232 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573392186 947945146 /nfs/dbraw/zinc/94/51/46/947945146.db2.gz VTXRKFVIUHOHEF-XHDPSFHLSA-N -1 3 388.432 -0.232 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCO[C@@H]([C@H](C)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573392186 947945138 /nfs/dbraw/zinc/94/51/38/947945138.db2.gz VTXRKFVIUHOHEF-XHDPSFHLSA-N -1 3 388.432 -0.232 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573392216 947943914 /nfs/dbraw/zinc/94/39/14/947943914.db2.gz XBJQHOJEJMSDIQ-GFCCVEGCSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573392216 947943908 /nfs/dbraw/zinc/94/39/08/947943908.db2.gz XBJQHOJEJMSDIQ-GFCCVEGCSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573392217 947944035 /nfs/dbraw/zinc/94/40/35/947944035.db2.gz XBJQHOJEJMSDIQ-LBPRGKRZSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573392217 947944033 /nfs/dbraw/zinc/94/40/33/947944033.db2.gz XBJQHOJEJMSDIQ-LBPRGKRZSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573392255 947945794 /nfs/dbraw/zinc/94/57/94/947945794.db2.gz YRRJMVARNPNAFV-SMDDNHRTSA-N -1 3 386.416 -0.654 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573392255 947945784 /nfs/dbraw/zinc/94/57/84/947945784.db2.gz YRRJMVARNPNAFV-SMDDNHRTSA-N -1 3 386.416 -0.654 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573392386 947946483 /nfs/dbraw/zinc/94/64/83/947946483.db2.gz AHYMPFOIIFBRGN-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573392386 947946476 /nfs/dbraw/zinc/94/64/76/947946476.db2.gz AHYMPFOIIFBRGN-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573392388 947946163 /nfs/dbraw/zinc/94/61/63/947946163.db2.gz AHYMPFOIIFBRGN-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573392388 947946152 /nfs/dbraw/zinc/94/61/52/947946152.db2.gz AHYMPFOIIFBRGN-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001573392474 947948534 /nfs/dbraw/zinc/94/85/34/947948534.db2.gz BFIHVNJLOULVNI-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001573392474 947948532 /nfs/dbraw/zinc/94/85/32/947948532.db2.gz BFIHVNJLOULVNI-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001573392475 947948923 /nfs/dbraw/zinc/94/89/23/947948923.db2.gz BFIHVNJLOULVNI-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001573392475 947948918 /nfs/dbraw/zinc/94/89/18/947948918.db2.gz BFIHVNJLOULVNI-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001573392476 947949188 /nfs/dbraw/zinc/94/91/88/947949188.db2.gz BFIHVNJLOULVNI-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001573392476 947949186 /nfs/dbraw/zinc/94/91/86/947949186.db2.gz BFIHVNJLOULVNI-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001573392477 947949295 /nfs/dbraw/zinc/94/92/95/947949295.db2.gz BFIHVNJLOULVNI-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001573392477 947949287 /nfs/dbraw/zinc/94/92/87/947949287.db2.gz BFIHVNJLOULVNI-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573392481 947948550 /nfs/dbraw/zinc/94/85/50/947948550.db2.gz BIORYLKBAOPOJQ-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573392481 947948546 /nfs/dbraw/zinc/94/85/46/947948546.db2.gz BIORYLKBAOPOJQ-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573392505 947949064 /nfs/dbraw/zinc/94/90/64/947949064.db2.gz CCEKTGKERHSLCL-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573392505 947949042 /nfs/dbraw/zinc/94/90/42/947949042.db2.gz CCEKTGKERHSLCL-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573392506 947948780 /nfs/dbraw/zinc/94/87/80/947948780.db2.gz CCEMHOZYWBUCOL-CNDDSTCGSA-N -1 3 386.416 -0.893 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573392506 947948776 /nfs/dbraw/zinc/94/87/76/947948776.db2.gz CCEMHOZYWBUCOL-CNDDSTCGSA-N -1 3 386.416 -0.893 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573392633 947949250 /nfs/dbraw/zinc/94/92/50/947949250.db2.gz CUIAHPXMLWFYMB-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573392633 947949241 /nfs/dbraw/zinc/94/92/41/947949241.db2.gz CUIAHPXMLWFYMB-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573392634 947948942 /nfs/dbraw/zinc/94/89/42/947948942.db2.gz CUIAHPXMLWFYMB-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573392634 947948937 /nfs/dbraw/zinc/94/89/37/947948937.db2.gz CUIAHPXMLWFYMB-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573392638 947948367 /nfs/dbraw/zinc/94/83/67/947948367.db2.gz CXWBFDUJNYGSPL-UHFFFAOYSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573392638 947948363 /nfs/dbraw/zinc/94/83/63/947948363.db2.gz CXWBFDUJNYGSPL-UHFFFAOYSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573392815 947950231 /nfs/dbraw/zinc/95/02/31/947950231.db2.gz FWJKCTSSTPNSMC-BETUJISGSA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573392815 947950221 /nfs/dbraw/zinc/95/02/21/947950221.db2.gz FWJKCTSSTPNSMC-BETUJISGSA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573392819 947951494 /nfs/dbraw/zinc/95/14/94/947951494.db2.gz FYXDNPRJUSROIS-KRWDZBQOSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573392819 947951484 /nfs/dbraw/zinc/95/14/84/947951484.db2.gz FYXDNPRJUSROIS-KRWDZBQOSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573392820 947950201 /nfs/dbraw/zinc/95/02/01/947950201.db2.gz FYXDNPRJUSROIS-QGZVFWFLSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573392820 947950193 /nfs/dbraw/zinc/95/01/93/947950193.db2.gz FYXDNPRJUSROIS-QGZVFWFLSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573392850 947953129 /nfs/dbraw/zinc/95/31/29/947953129.db2.gz GQKLKNAKKFRBJJ-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573392850 947953125 /nfs/dbraw/zinc/95/31/25/947953125.db2.gz GQKLKNAKKFRBJJ-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573392865 947953213 /nfs/dbraw/zinc/95/32/13/947953213.db2.gz GWUVFZADQXOPBV-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573392865 947953211 /nfs/dbraw/zinc/95/32/11/947953211.db2.gz GWUVFZADQXOPBV-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573392866 947953020 /nfs/dbraw/zinc/95/30/20/947953020.db2.gz GWUVFZADQXOPBV-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573392866 947953016 /nfs/dbraw/zinc/95/30/16/947953016.db2.gz GWUVFZADQXOPBV-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573392873 947953338 /nfs/dbraw/zinc/95/33/38/947953338.db2.gz HBBGFRIBGCOHLT-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573392873 947953333 /nfs/dbraw/zinc/95/33/33/947953333.db2.gz HBBGFRIBGCOHLT-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573393021 947954430 /nfs/dbraw/zinc/95/44/30/947954430.db2.gz IITOHVHFOULZEY-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573393021 947954427 /nfs/dbraw/zinc/95/44/27/947954427.db2.gz IITOHVHFOULZEY-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573393022 947954467 /nfs/dbraw/zinc/95/44/67/947954467.db2.gz IITOHVHFOULZEY-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573393022 947954461 /nfs/dbraw/zinc/95/44/61/947954461.db2.gz IITOHVHFOULZEY-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573393043 947955125 /nfs/dbraw/zinc/95/51/25/947955125.db2.gz ISTXTYUEDOMJFM-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573393043 947955114 /nfs/dbraw/zinc/95/51/14/947955114.db2.gz ISTXTYUEDOMJFM-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573393044 947954743 /nfs/dbraw/zinc/95/47/43/947954743.db2.gz ISTXTYUEDOMJFM-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573393044 947954740 /nfs/dbraw/zinc/95/47/40/947954740.db2.gz ISTXTYUEDOMJFM-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573393075 947954522 /nfs/dbraw/zinc/95/45/22/947954522.db2.gz JBGIQZRYAIXNLE-BETUJISGSA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573393075 947954517 /nfs/dbraw/zinc/95/45/17/947954517.db2.gz JBGIQZRYAIXNLE-BETUJISGSA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573393148 947955038 /nfs/dbraw/zinc/95/50/38/947955038.db2.gz KDZNEOMYDIBOLI-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573393148 947955033 /nfs/dbraw/zinc/95/50/33/947955033.db2.gz KDZNEOMYDIBOLI-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001573393372 947957622 /nfs/dbraw/zinc/95/76/22/947957622.db2.gz KSOGRMSSGKJDHD-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC001573393372 947957616 /nfs/dbraw/zinc/95/76/16/947957616.db2.gz KSOGRMSSGKJDHD-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001573393373 947957017 /nfs/dbraw/zinc/95/70/17/947957017.db2.gz KSOGRMSSGKJDHD-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC001573393373 947957010 /nfs/dbraw/zinc/95/70/10/947957010.db2.gz KSOGRMSSGKJDHD-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001573393374 947956637 /nfs/dbraw/zinc/95/66/37/947956637.db2.gz KSOGRMSSGKJDHD-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001573393374 947956630 /nfs/dbraw/zinc/95/66/30/947956630.db2.gz KSOGRMSSGKJDHD-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001573393375 947956211 /nfs/dbraw/zinc/95/62/11/947956211.db2.gz KSOGRMSSGKJDHD-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](C)C1 ZINC001573393375 947956202 /nfs/dbraw/zinc/95/62/02/947956202.db2.gz KSOGRMSSGKJDHD-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573393385 947956993 /nfs/dbraw/zinc/95/69/93/947956993.db2.gz LGPQMKGEEHKVNG-KRWDZBQOSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573393385 947956988 /nfs/dbraw/zinc/95/69/88/947956988.db2.gz LGPQMKGEEHKVNG-KRWDZBQOSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573393386 947956848 /nfs/dbraw/zinc/95/68/48/947956848.db2.gz LGPQMKGEEHKVNG-QGZVFWFLSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573393386 947956841 /nfs/dbraw/zinc/95/68/41/947956841.db2.gz LGPQMKGEEHKVNG-QGZVFWFLSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573393414 947956948 /nfs/dbraw/zinc/95/69/48/947956948.db2.gz MBBMZXUAJJJRPD-UHFFFAOYSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573393414 947956943 /nfs/dbraw/zinc/95/69/43/947956943.db2.gz MBBMZXUAJJJRPD-UHFFFAOYSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573393416 947956114 /nfs/dbraw/zinc/95/61/14/947956114.db2.gz MDMLDYORLADPOZ-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573393416 947956110 /nfs/dbraw/zinc/95/61/10/947956110.db2.gz MDMLDYORLADPOZ-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573393417 947955972 /nfs/dbraw/zinc/95/59/72/947955972.db2.gz MDMLDYORLADPOZ-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573393417 947955967 /nfs/dbraw/zinc/95/59/67/947955967.db2.gz MDMLDYORLADPOZ-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573393433 947958802 /nfs/dbraw/zinc/95/88/02/947958802.db2.gz MMXKSSUNRFDAGK-KRWDZBQOSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573393433 947958793 /nfs/dbraw/zinc/95/87/93/947958793.db2.gz MMXKSSUNRFDAGK-KRWDZBQOSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573393434 947958662 /nfs/dbraw/zinc/95/86/62/947958662.db2.gz MMXKSSUNRFDAGK-QGZVFWFLSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573393434 947958657 /nfs/dbraw/zinc/95/86/57/947958657.db2.gz MMXKSSUNRFDAGK-QGZVFWFLSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573393593 947958270 /nfs/dbraw/zinc/95/82/70/947958270.db2.gz NVIPBAKVAPXEMS-XYYAHUGASA-N -1 3 386.416 -0.893 20 0 GBADHM CC(=O)N(C)CC(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573393593 947958269 /nfs/dbraw/zinc/95/82/69/947958269.db2.gz NVIPBAKVAPXEMS-XYYAHUGASA-N -1 3 386.416 -0.893 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573393611 947959429 /nfs/dbraw/zinc/95/94/29/947959429.db2.gz NZKJGPUMFCLLQV-GFCCVEGCSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573393611 947959423 /nfs/dbraw/zinc/95/94/23/947959423.db2.gz NZKJGPUMFCLLQV-GFCCVEGCSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573393612 947959191 /nfs/dbraw/zinc/95/91/91/947959191.db2.gz NZKJGPUMFCLLQV-LBPRGKRZSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573393612 947959187 /nfs/dbraw/zinc/95/91/87/947959187.db2.gz NZKJGPUMFCLLQV-LBPRGKRZSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573393617 947959277 /nfs/dbraw/zinc/95/92/77/947959277.db2.gz OFSPGTJXWZRVMG-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573393617 947959268 /nfs/dbraw/zinc/95/92/68/947959268.db2.gz OFSPGTJXWZRVMG-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573393701 947960262 /nfs/dbraw/zinc/96/02/62/947960262.db2.gz PCWOGUIYFGHDIR-GFCCVEGCSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573393701 947960258 /nfs/dbraw/zinc/96/02/58/947960258.db2.gz PCWOGUIYFGHDIR-GFCCVEGCSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573393704 947961267 /nfs/dbraw/zinc/96/12/67/947961267.db2.gz PCWOGUIYFGHDIR-LBPRGKRZSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573393704 947961262 /nfs/dbraw/zinc/96/12/62/947961262.db2.gz PCWOGUIYFGHDIR-LBPRGKRZSA-N -1 3 388.432 -0.406 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573393743 947960818 /nfs/dbraw/zinc/96/08/18/947960818.db2.gz PPHQJOFORZWKPX-UHFFFAOYSA-N -1 3 386.416 -0.652 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573393743 947960810 /nfs/dbraw/zinc/96/08/10/947960810.db2.gz PPHQJOFORZWKPX-UHFFFAOYSA-N -1 3 386.416 -0.652 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573393930 947960150 /nfs/dbraw/zinc/96/01/50/947960150.db2.gz RDASDQSVPLUPNV-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573393930 947960148 /nfs/dbraw/zinc/96/01/48/947960148.db2.gz RDASDQSVPLUPNV-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573393932 947960273 /nfs/dbraw/zinc/96/02/73/947960273.db2.gz RDASDQSVPLUPNV-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573393932 947960269 /nfs/dbraw/zinc/96/02/69/947960269.db2.gz RDASDQSVPLUPNV-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573393935 947960503 /nfs/dbraw/zinc/96/05/03/947960503.db2.gz RDASDQSVPLUPNV-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573393935 947960493 /nfs/dbraw/zinc/96/04/93/947960493.db2.gz RDASDQSVPLUPNV-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573393937 947960965 /nfs/dbraw/zinc/96/09/65/947960965.db2.gz RDASDQSVPLUPNV-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573393937 947960957 /nfs/dbraw/zinc/96/09/57/947960957.db2.gz RDASDQSVPLUPNV-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573394045 947962971 /nfs/dbraw/zinc/96/29/71/947962971.db2.gz SATSQAMLWWFZCW-UHFFFAOYSA-N -1 3 386.416 -0.652 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573394045 947962963 /nfs/dbraw/zinc/96/29/63/947962963.db2.gz SATSQAMLWWFZCW-UHFFFAOYSA-N -1 3 386.416 -0.652 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573394061 947962432 /nfs/dbraw/zinc/96/24/32/947962432.db2.gz SICKIZBIRIQOCR-GWCFXTLKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573394061 947962429 /nfs/dbraw/zinc/96/24/29/947962429.db2.gz SICKIZBIRIQOCR-GWCFXTLKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573394062 947962814 /nfs/dbraw/zinc/96/28/14/947962814.db2.gz SICKIZBIRIQOCR-GXFFZTMASA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573394062 947962807 /nfs/dbraw/zinc/96/28/07/947962807.db2.gz SICKIZBIRIQOCR-GXFFZTMASA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573394063 947962413 /nfs/dbraw/zinc/96/24/13/947962413.db2.gz SICKIZBIRIQOCR-MFKMUULPSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573394063 947962409 /nfs/dbraw/zinc/96/24/09/947962409.db2.gz SICKIZBIRIQOCR-MFKMUULPSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001573394064 947962130 /nfs/dbraw/zinc/96/21/30/947962130.db2.gz SICKIZBIRIQOCR-ZWNOBZJWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC001573394064 947962122 /nfs/dbraw/zinc/96/21/22/947962122.db2.gz SICKIZBIRIQOCR-ZWNOBZJWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(O)(CNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573394408 947964305 /nfs/dbraw/zinc/96/43/05/947964305.db2.gz SZYLFHDIVGLLBC-UHFFFAOYSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(O)(CNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573394408 947964303 /nfs/dbraw/zinc/96/43/03/947964303.db2.gz SZYLFHDIVGLLBC-UHFFFAOYSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573394413 947964137 /nfs/dbraw/zinc/96/41/37/947964137.db2.gz TUXALPXWMNPFHH-UHFFFAOYSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC(C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573394413 947964134 /nfs/dbraw/zinc/96/41/34/947964134.db2.gz TUXALPXWMNPFHH-UHFFFAOYSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](C)C1 ZINC001573394436 947964706 /nfs/dbraw/zinc/96/47/06/947964706.db2.gz UFDOVAXVVSUJOX-GWCFXTLKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](C)C1 ZINC001573394436 947964699 /nfs/dbraw/zinc/96/46/99/947964699.db2.gz UFDOVAXVVSUJOX-GWCFXTLKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](C)C1 ZINC001573394437 947964017 /nfs/dbraw/zinc/96/40/17/947964017.db2.gz UFDOVAXVVSUJOX-GXFFZTMASA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](C)C1 ZINC001573394437 947964009 /nfs/dbraw/zinc/96/40/09/947964009.db2.gz UFDOVAXVVSUJOX-GXFFZTMASA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001573394438 947965047 /nfs/dbraw/zinc/96/50/47/947965047.db2.gz UFDOVAXVVSUJOX-MFKMUULPSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001573394438 947965038 /nfs/dbraw/zinc/96/50/38/947965038.db2.gz UFDOVAXVVSUJOX-MFKMUULPSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001573394439 947963818 /nfs/dbraw/zinc/96/38/18/947963818.db2.gz UFDOVAXVVSUJOX-ZWNOBZJWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001573394439 947963811 /nfs/dbraw/zinc/96/38/11/947963811.db2.gz UFDOVAXVVSUJOX-ZWNOBZJWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001573394442 947964830 /nfs/dbraw/zinc/96/48/30/947964830.db2.gz UHHXXJZPHBWXNK-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001573394442 947964822 /nfs/dbraw/zinc/96/48/22/947964822.db2.gz UHHXXJZPHBWXNK-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001573394443 947964494 /nfs/dbraw/zinc/96/44/94/947964494.db2.gz UHHXXJZPHBWXNK-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001573394443 947964489 /nfs/dbraw/zinc/96/44/89/947964489.db2.gz UHHXXJZPHBWXNK-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001573394444 947964256 /nfs/dbraw/zinc/96/42/56/947964256.db2.gz UHHXXJZPHBWXNK-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001573394444 947964252 /nfs/dbraw/zinc/96/42/52/947964252.db2.gz UHHXXJZPHBWXNK-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001573394445 947964532 /nfs/dbraw/zinc/96/45/32/947964532.db2.gz UHHXXJZPHBWXNK-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001573394445 947964524 /nfs/dbraw/zinc/96/45/24/947964524.db2.gz UHHXXJZPHBWXNK-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N1CCC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573394452 947964408 /nfs/dbraw/zinc/96/44/08/947964408.db2.gz UMINWCMJPSAYOU-CYBMUJFWSA-N -1 3 388.432 -0.264 20 0 GBADHM 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CC(=O)N(C)CC(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573401804 947998139 /nfs/dbraw/zinc/99/81/39/947998139.db2.gz CUCUHBXEFSPRRU-JTQLQIEISA-N -1 3 382.812 -0.718 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573401804 947998132 /nfs/dbraw/zinc/99/81/32/947998132.db2.gz CUCUHBXEFSPRRU-JTQLQIEISA-N -1 3 382.812 -0.718 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573401806 947997595 /nfs/dbraw/zinc/99/75/95/947997595.db2.gz CUCUHBXEFSPRRU-SNVBAGLBSA-N -1 3 382.812 -0.718 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573401806 947997587 /nfs/dbraw/zinc/99/75/87/947997587.db2.gz CUCUHBXEFSPRRU-SNVBAGLBSA-N -1 3 382.812 -0.718 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573401852 947999500 /nfs/dbraw/zinc/99/95/00/947999500.db2.gz DSCSABHGIFEOIS-NEPJUHHUSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573401852 947999491 /nfs/dbraw/zinc/99/94/91/947999491.db2.gz DSCSABHGIFEOIS-NEPJUHHUSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573401853 947999882 /nfs/dbraw/zinc/99/98/82/947999882.db2.gz DSCSABHGIFEOIS-NWDGAFQWSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573401853 947999872 /nfs/dbraw/zinc/99/98/72/947999872.db2.gz DSCSABHGIFEOIS-NWDGAFQWSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573401856 947999478 /nfs/dbraw/zinc/99/94/78/947999478.db2.gz DSCSABHGIFEOIS-RYUDHWBXSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573401856 947999471 /nfs/dbraw/zinc/99/94/71/947999471.db2.gz DSCSABHGIFEOIS-RYUDHWBXSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573401858 948000950 /nfs/dbraw/zinc/00/09/50/948000950.db2.gz DSCSABHGIFEOIS-VXGBXAGGSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573401858 948000943 /nfs/dbraw/zinc/00/09/43/948000943.db2.gz DSCSABHGIFEOIS-VXGBXAGGSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1O ZINC001573402348 948001980 /nfs/dbraw/zinc/00/19/80/948001980.db2.gz GDCBVIRNLYIVPA-KBPBESRZSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1O ZINC001573402348 948001976 /nfs/dbraw/zinc/00/19/76/948001976.db2.gz GDCBVIRNLYIVPA-KBPBESRZSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@@H]1O ZINC001573402351 948002549 /nfs/dbraw/zinc/00/25/49/948002549.db2.gz GDCBVIRNLYIVPA-KGLIPLIRSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@@H]1O ZINC001573402351 948002538 /nfs/dbraw/zinc/00/25/38/948002538.db2.gz GDCBVIRNLYIVPA-KGLIPLIRSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001573402355 948002654 /nfs/dbraw/zinc/00/26/54/948002654.db2.gz GDCBVIRNLYIVPA-UONOGXRCSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1O ZINC001573402355 948002641 /nfs/dbraw/zinc/00/26/41/948002641.db2.gz GDCBVIRNLYIVPA-UONOGXRCSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C[C@H]1O ZINC001573402357 948002939 /nfs/dbraw/zinc/00/29/39/948002939.db2.gz GDCBVIRNLYIVPA-ZIAGYGMSSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C[C@H]1O ZINC001573402357 948002931 /nfs/dbraw/zinc/00/29/31/948002931.db2.gz GDCBVIRNLYIVPA-ZIAGYGMSSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573402727 948004643 /nfs/dbraw/zinc/00/46/43/948004643.db2.gz HELNAJDLGXJRRC-CYBMUJFWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573402727 948004636 /nfs/dbraw/zinc/00/46/36/948004636.db2.gz HELNAJDLGXJRRC-CYBMUJFWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573402729 948004695 /nfs/dbraw/zinc/00/46/95/948004695.db2.gz HELNAJDLGXJRRC-ZDUSSCGKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573402729 948004686 /nfs/dbraw/zinc/00/46/86/948004686.db2.gz HELNAJDLGXJRRC-ZDUSSCGKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573402736 948004132 /nfs/dbraw/zinc/00/41/32/948004132.db2.gz HKSYHKJYZBNEJH-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573402736 948004128 /nfs/dbraw/zinc/00/41/28/948004128.db2.gz HKSYHKJYZBNEJH-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573402737 948005314 /nfs/dbraw/zinc/00/53/14/948005314.db2.gz HKSYHKJYZBNEJH-ZDUSSCGKSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573402737 948005309 /nfs/dbraw/zinc/00/53/09/948005309.db2.gz HKSYHKJYZBNEJH-ZDUSSCGKSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573402795 948004419 /nfs/dbraw/zinc/00/44/19/948004419.db2.gz ILYGLGHNOYIOGT-AAEUAGOBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573402795 948004412 /nfs/dbraw/zinc/00/44/12/948004412.db2.gz ILYGLGHNOYIOGT-AAEUAGOBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573402796 948005269 /nfs/dbraw/zinc/00/52/69/948005269.db2.gz ILYGLGHNOYIOGT-DGCLKSJQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573402796 948005258 /nfs/dbraw/zinc/00/52/58/948005258.db2.gz ILYGLGHNOYIOGT-DGCLKSJQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573402797 948004446 /nfs/dbraw/zinc/00/44/46/948004446.db2.gz ILYGLGHNOYIOGT-WCQYABFASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573402797 948004435 /nfs/dbraw/zinc/00/44/35/948004435.db2.gz ILYGLGHNOYIOGT-WCQYABFASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573402799 948005451 /nfs/dbraw/zinc/00/54/51/948005451.db2.gz ILYGLGHNOYIOGT-YPMHNXCESA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573402799 948005442 /nfs/dbraw/zinc/00/54/42/948005442.db2.gz ILYGLGHNOYIOGT-YPMHNXCESA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001573402817 948007422 /nfs/dbraw/zinc/00/74/22/948007422.db2.gz IWVGIHOBHYHZGK-KBPBESRZSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001573402817 948007413 /nfs/dbraw/zinc/00/74/13/948007413.db2.gz IWVGIHOBHYHZGK-KBPBESRZSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001573402818 948006677 /nfs/dbraw/zinc/00/66/77/948006677.db2.gz IWVGIHOBHYHZGK-KGLIPLIRSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@@H]1O ZINC001573402818 948006669 /nfs/dbraw/zinc/00/66/69/948006669.db2.gz IWVGIHOBHYHZGK-KGLIPLIRSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001573402820 948007339 /nfs/dbraw/zinc/00/73/39/948007339.db2.gz IWVGIHOBHYHZGK-UONOGXRCSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001573402820 948007327 /nfs/dbraw/zinc/00/73/27/948007327.db2.gz IWVGIHOBHYHZGK-UONOGXRCSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001573402821 948006490 /nfs/dbraw/zinc/00/64/90/948006490.db2.gz IWVGIHOBHYHZGK-ZIAGYGMSSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1O ZINC001573402821 948006483 /nfs/dbraw/zinc/00/64/83/948006483.db2.gz IWVGIHOBHYHZGK-ZIAGYGMSSA-N -1 3 388.432 -0.896 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573402822 948006711 /nfs/dbraw/zinc/00/67/11/948006711.db2.gz IZULKVXMRJVPQV-KRWDZBQOSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573402822 948006697 /nfs/dbraw/zinc/00/66/97/948006697.db2.gz IZULKVXMRJVPQV-KRWDZBQOSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573402824 948007309 /nfs/dbraw/zinc/00/73/09/948007309.db2.gz IZULKVXMRJVPQV-QGZVFWFLSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573402824 948007299 /nfs/dbraw/zinc/00/72/99/948007299.db2.gz IZULKVXMRJVPQV-QGZVFWFLSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573403008 948007083 /nfs/dbraw/zinc/00/70/83/948007083.db2.gz KEMDKDHHDDYUOO-NEPJUHHUSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573403008 948007076 /nfs/dbraw/zinc/00/70/76/948007076.db2.gz KEMDKDHHDDYUOO-NEPJUHHUSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573403009 948006648 /nfs/dbraw/zinc/00/66/48/948006648.db2.gz KEMDKDHHDDYUOO-NWDGAFQWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573403009 948006641 /nfs/dbraw/zinc/00/66/41/948006641.db2.gz KEMDKDHHDDYUOO-NWDGAFQWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573403011 948006051 /nfs/dbraw/zinc/00/60/51/948006051.db2.gz KEMDKDHHDDYUOO-RYUDHWBXSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573403011 948006045 /nfs/dbraw/zinc/00/60/45/948006045.db2.gz KEMDKDHHDDYUOO-RYUDHWBXSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573403013 948007064 /nfs/dbraw/zinc/00/70/64/948007064.db2.gz KEMDKDHHDDYUOO-VXGBXAGGSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573403013 948007056 /nfs/dbraw/zinc/00/70/56/948007056.db2.gz KEMDKDHHDDYUOO-VXGBXAGGSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573403024 948006275 /nfs/dbraw/zinc/00/62/75/948006275.db2.gz KKIXSQMJMVFKRL-JTQLQIEISA-N -1 3 382.812 -0.718 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573403024 948006269 /nfs/dbraw/zinc/00/62/69/948006269.db2.gz KKIXSQMJMVFKRL-JTQLQIEISA-N -1 3 382.812 -0.718 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573403025 948007677 /nfs/dbraw/zinc/00/76/77/948007677.db2.gz KKIXSQMJMVFKRL-SNVBAGLBSA-N -1 3 382.812 -0.718 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573403025 948007666 /nfs/dbraw/zinc/00/76/66/948007666.db2.gz KKIXSQMJMVFKRL-SNVBAGLBSA-N -1 3 382.812 -0.718 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573403124 948008110 /nfs/dbraw/zinc/00/81/10/948008110.db2.gz LORDBYAMDACCFG-AWEZNQCLSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573403124 948008104 /nfs/dbraw/zinc/00/81/04/948008104.db2.gz LORDBYAMDACCFG-AWEZNQCLSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573403125 948008961 /nfs/dbraw/zinc/00/89/61/948008961.db2.gz LORDBYAMDACCFG-CQSZACIVSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573403125 948008957 /nfs/dbraw/zinc/00/89/57/948008957.db2.gz LORDBYAMDACCFG-CQSZACIVSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573403397 948008310 /nfs/dbraw/zinc/00/83/10/948008310.db2.gz LXIJBSLBAHWJQH-AWEZNQCLSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573403397 948008301 /nfs/dbraw/zinc/00/83/01/948008301.db2.gz LXIJBSLBAHWJQH-AWEZNQCLSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573403398 948009881 /nfs/dbraw/zinc/00/98/81/948009881.db2.gz LXIJBSLBAHWJQH-CQSZACIVSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573403398 948009872 /nfs/dbraw/zinc/00/98/72/948009872.db2.gz LXIJBSLBAHWJQH-CQSZACIVSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573403405 948009777 /nfs/dbraw/zinc/00/97/77/948009777.db2.gz MDBUYWSKFWRWQD-UHFFFAOYSA-N -1 3 390.448 -0.113 20 0 GBADHM CC(=O)N(C)CC(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573403405 948009768 /nfs/dbraw/zinc/00/97/68/948009768.db2.gz MDBUYWSKFWRWQD-UHFFFAOYSA-N -1 3 390.448 -0.113 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573403406 948008494 /nfs/dbraw/zinc/00/84/94/948008494.db2.gz MDNOEYICGULZEV-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573403406 948008484 /nfs/dbraw/zinc/00/84/84/948008484.db2.gz MDNOEYICGULZEV-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573403407 948009944 /nfs/dbraw/zinc/00/99/44/948009944.db2.gz MDNOEYICGULZEV-ZDUSSCGKSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573403407 948009936 /nfs/dbraw/zinc/00/99/36/948009936.db2.gz MDNOEYICGULZEV-ZDUSSCGKSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573403422 948011252 /nfs/dbraw/zinc/01/12/52/948011252.db2.gz MPOOLYQMRSDNEU-GFCCVEGCSA-N -1 3 376.396 -0.036 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573403422 948011247 /nfs/dbraw/zinc/01/12/47/948011247.db2.gz MPOOLYQMRSDNEU-GFCCVEGCSA-N -1 3 376.396 -0.036 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573403423 948011921 /nfs/dbraw/zinc/01/19/21/948011921.db2.gz MPOOLYQMRSDNEU-LBPRGKRZSA-N -1 3 376.396 -0.036 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573403423 948011914 /nfs/dbraw/zinc/01/19/14/948011914.db2.gz MPOOLYQMRSDNEU-LBPRGKRZSA-N -1 3 376.396 -0.036 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](C)C1 ZINC001573403432 948010915 /nfs/dbraw/zinc/01/09/15/948010915.db2.gz MQTGYLWDUCQADS-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](C)C1 ZINC001573403432 948010908 /nfs/dbraw/zinc/01/09/08/948010908.db2.gz MQTGYLWDUCQADS-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](C)C1 ZINC001573403433 948011220 /nfs/dbraw/zinc/01/12/20/948011220.db2.gz MQTGYLWDUCQADS-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](C)C1 ZINC001573403433 948011214 /nfs/dbraw/zinc/01/12/14/948011214.db2.gz MQTGYLWDUCQADS-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001573403434 948011032 /nfs/dbraw/zinc/01/10/32/948011032.db2.gz MQTGYLWDUCQADS-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001573403434 948011022 /nfs/dbraw/zinc/01/10/22/948011022.db2.gz MQTGYLWDUCQADS-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001573403435 948011564 /nfs/dbraw/zinc/01/15/64/948011564.db2.gz MQTGYLWDUCQADS-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001573403435 948011553 /nfs/dbraw/zinc/01/15/53/948011553.db2.gz MQTGYLWDUCQADS-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573403456 948011309 /nfs/dbraw/zinc/01/13/09/948011309.db2.gz MXRSSVGRDTXXIS-CHWSQXEVSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573403456 948011301 /nfs/dbraw/zinc/01/13/01/948011301.db2.gz MXRSSVGRDTXXIS-CHWSQXEVSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573403457 948010189 /nfs/dbraw/zinc/01/01/89/948010189.db2.gz MXRSSVGRDTXXIS-OLZOCXBDSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573403457 948010185 /nfs/dbraw/zinc/01/01/85/948010185.db2.gz MXRSSVGRDTXXIS-OLZOCXBDSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573403458 948011500 /nfs/dbraw/zinc/01/15/00/948011500.db2.gz MXRSSVGRDTXXIS-QWHCGFSZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573403458 948011489 /nfs/dbraw/zinc/01/14/89/948011489.db2.gz MXRSSVGRDTXXIS-QWHCGFSZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573403459 948010212 /nfs/dbraw/zinc/01/02/12/948010212.db2.gz MXRSSVGRDTXXIS-STQMWFEESA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573403459 948010206 /nfs/dbraw/zinc/01/02/06/948010206.db2.gz MXRSSVGRDTXXIS-STQMWFEESA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001573403481 948011824 /nfs/dbraw/zinc/01/18/24/948011824.db2.gz NIMOBDXMWYMEQY-GWCFXTLKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001573403481 948011815 /nfs/dbraw/zinc/01/18/15/948011815.db2.gz NIMOBDXMWYMEQY-GWCFXTLKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001573403482 948011942 /nfs/dbraw/zinc/01/19/42/948011942.db2.gz NIMOBDXMWYMEQY-GXFFZTMASA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001573403482 948011936 /nfs/dbraw/zinc/01/19/36/948011936.db2.gz NIMOBDXMWYMEQY-GXFFZTMASA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573403483 948010635 /nfs/dbraw/zinc/01/06/35/948010635.db2.gz NIMOBDXMWYMEQY-MFKMUULPSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573403483 948010619 /nfs/dbraw/zinc/01/06/19/948010619.db2.gz NIMOBDXMWYMEQY-MFKMUULPSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573403484 948011765 /nfs/dbraw/zinc/01/17/65/948011765.db2.gz NIMOBDXMWYMEQY-ZWNOBZJWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573403484 948011756 /nfs/dbraw/zinc/01/17/56/948011756.db2.gz NIMOBDXMWYMEQY-ZWNOBZJWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573403712 948013876 /nfs/dbraw/zinc/01/38/76/948013876.db2.gz NVNRFKJAUPLSDG-NEPJUHHUSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573403712 948013869 /nfs/dbraw/zinc/01/38/69/948013869.db2.gz NVNRFKJAUPLSDG-NEPJUHHUSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573403714 948013211 /nfs/dbraw/zinc/01/32/11/948013211.db2.gz NVNRFKJAUPLSDG-NWDGAFQWSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573403714 948013202 /nfs/dbraw/zinc/01/32/02/948013202.db2.gz NVNRFKJAUPLSDG-NWDGAFQWSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573403716 948014334 /nfs/dbraw/zinc/01/43/34/948014334.db2.gz NVNRFKJAUPLSDG-RYUDHWBXSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573403716 948014325 /nfs/dbraw/zinc/01/43/25/948014325.db2.gz NVNRFKJAUPLSDG-RYUDHWBXSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573403718 948013799 /nfs/dbraw/zinc/01/37/99/948013799.db2.gz NVNRFKJAUPLSDG-VXGBXAGGSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573403718 948013793 /nfs/dbraw/zinc/01/37/93/948013793.db2.gz NVNRFKJAUPLSDG-VXGBXAGGSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573403724 948013399 /nfs/dbraw/zinc/01/33/99/948013399.db2.gz NZVXSZCDMKNFJL-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573403724 948013385 /nfs/dbraw/zinc/01/33/85/948013385.db2.gz NZVXSZCDMKNFJL-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573403726 948014215 /nfs/dbraw/zinc/01/42/15/948014215.db2.gz NZVXSZCDMKNFJL-ZDUSSCGKSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573403726 948014209 /nfs/dbraw/zinc/01/42/09/948014209.db2.gz NZVXSZCDMKNFJL-ZDUSSCGKSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573403778 948013855 /nfs/dbraw/zinc/01/38/55/948013855.db2.gz OIYMKKMXERAMBA-CYBMUJFWSA-N -1 3 376.421 -0.456 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573403778 948013847 /nfs/dbraw/zinc/01/38/47/948013847.db2.gz OIYMKKMXERAMBA-CYBMUJFWSA-N -1 3 376.421 -0.456 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573403780 948012618 /nfs/dbraw/zinc/01/26/18/948012618.db2.gz OIYMKKMXERAMBA-ZDUSSCGKSA-N -1 3 376.421 -0.456 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573403780 948012613 /nfs/dbraw/zinc/01/26/13/948012613.db2.gz OIYMKKMXERAMBA-ZDUSSCGKSA-N -1 3 376.421 -0.456 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573403785 948014191 /nfs/dbraw/zinc/01/41/91/948014191.db2.gz OKJQLPMMTHLUSC-AAEUAGOBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573403785 948014184 /nfs/dbraw/zinc/01/41/84/948014184.db2.gz OKJQLPMMTHLUSC-AAEUAGOBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573403786 948014245 /nfs/dbraw/zinc/01/42/45/948014245.db2.gz OKJQLPMMTHLUSC-DGCLKSJQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573403786 948014237 /nfs/dbraw/zinc/01/42/37/948014237.db2.gz OKJQLPMMTHLUSC-DGCLKSJQSA-N -1 3 388.432 -0.312 20 0 GBADHM 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CC(=O)N(C)CC(=O)NCC1(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573404272 948020286 /nfs/dbraw/zinc/02/02/86/948020286.db2.gz BYVMVCXDFFTXRE-UHFFFAOYSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573404281 948019552 /nfs/dbraw/zinc/01/95/52/948019552.db2.gz CEZIIXRNACINOK-AAEUAGOBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573404281 948019546 /nfs/dbraw/zinc/01/95/46/948019546.db2.gz CEZIIXRNACINOK-AAEUAGOBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573404282 948020542 /nfs/dbraw/zinc/02/05/42/948020542.db2.gz CEZIIXRNACINOK-DGCLKSJQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573404282 948020532 /nfs/dbraw/zinc/02/05/32/948020532.db2.gz CEZIIXRNACINOK-DGCLKSJQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573404283 948019806 /nfs/dbraw/zinc/01/98/06/948019806.db2.gz CEZIIXRNACINOK-WCQYABFASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573404283 948019796 /nfs/dbraw/zinc/01/97/96/948019796.db2.gz CEZIIXRNACINOK-WCQYABFASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573404284 948018908 /nfs/dbraw/zinc/01/89/08/948018908.db2.gz CEZIIXRNACINOK-YPMHNXCESA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573404284 948018897 /nfs/dbraw/zinc/01/88/97/948018897.db2.gz CEZIIXRNACINOK-YPMHNXCESA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573404368 948021131 /nfs/dbraw/zinc/02/11/31/948021131.db2.gz SOMGXRKCZWIQJT-AAEUAGOBSA-N -1 3 388.432 -0.312 20 0 GBADHM 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387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573404663 948030416 /nfs/dbraw/zinc/03/04/16/948030416.db2.gz IYVXCMLMINKVKW-KRWDZBQOSA-N -1 3 388.432 -0.894 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573404663 948030408 /nfs/dbraw/zinc/03/04/08/948030408.db2.gz IYVXCMLMINKVKW-KRWDZBQOSA-N -1 3 388.432 -0.894 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573404664 948031828 /nfs/dbraw/zinc/03/18/28/948031828.db2.gz IYVXCMLMINKVKW-QGZVFWFLSA-N -1 3 388.432 -0.894 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573404664 948031826 /nfs/dbraw/zinc/03/18/26/948031826.db2.gz IYVXCMLMINKVKW-QGZVFWFLSA-N -1 3 388.432 -0.894 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573404799 948032930 /nfs/dbraw/zinc/03/29/30/948032930.db2.gz WGULNMLOSVQAMR-GFCCVEGCSA-N -1 3 390.448 -0.066 20 0 GBADHM 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YQYGEQHMKOGDPB-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001573405129 948038662 /nfs/dbraw/zinc/03/86/62/948038662.db2.gz YQYZPZCMLPADFC-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001573405129 948038654 /nfs/dbraw/zinc/03/86/54/948038654.db2.gz YQYZPZCMLPADFC-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H]1C ZINC001573405130 948038553 /nfs/dbraw/zinc/03/85/53/948038553.db2.gz YQYZPZCMLPADFC-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@H]1C ZINC001573405130 948038547 /nfs/dbraw/zinc/03/85/47/948038547.db2.gz YQYZPZCMLPADFC-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C ZINC001573405131 948037443 /nfs/dbraw/zinc/03/74/43/948037443.db2.gz YQYZPZCMLPADFC-MFKMUULPSA-N 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CC(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573405154 948037185 /nfs/dbraw/zinc/03/71/85/948037185.db2.gz ZELOOXZHQPLJIA-CYBMUJFWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573405154 948037178 /nfs/dbraw/zinc/03/71/78/948037178.db2.gz ZELOOXZHQPLJIA-CYBMUJFWSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573405155 948038738 /nfs/dbraw/zinc/03/87/38/948038738.db2.gz ZELOOXZHQPLJIA-ZDUSSCGKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573405155 948038729 /nfs/dbraw/zinc/03/87/29/948038729.db2.gz ZELOOXZHQPLJIA-ZDUSSCGKSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573405177 948040610 /nfs/dbraw/zinc/04/06/10/948040610.db2.gz ZVDVWCNDENVPTD-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM 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CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C ZINC001573405234 948040220 /nfs/dbraw/zinc/04/02/20/948040220.db2.gz ZZYYRJUJGVCQKZ-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1C ZINC001573405234 948040210 /nfs/dbraw/zinc/04/02/10/948040210.db2.gz ZZYYRJUJGVCQKZ-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001573405236 948039906 /nfs/dbraw/zinc/03/99/06/948039906.db2.gz ZZYYRJUJGVCQKZ-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001573405236 948039897 /nfs/dbraw/zinc/03/98/97/948039897.db2.gz ZZYYRJUJGVCQKZ-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001573405238 948039836 /nfs/dbraw/zinc/03/98/36/948039836.db2.gz ZZYYRJUJGVCQKZ-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM 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948039322 /nfs/dbraw/zinc/03/93/22/948039322.db2.gz NTLWVDFMGPWMRC-UHFFFAOYSA-N -1 3 376.396 -0.036 20 0 GBADHM CC(=O)N(C)CC(=O)NCCN(c1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573405267 948039316 /nfs/dbraw/zinc/03/93/16/948039316.db2.gz NTLWVDFMGPWMRC-UHFFFAOYSA-N -1 3 376.396 -0.036 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573405270 948040542 /nfs/dbraw/zinc/04/05/42/948040542.db2.gz NVYNKBYLIFRXKO-INIZCTEOSA-N -1 3 387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573405270 948040535 /nfs/dbraw/zinc/04/05/35/948040535.db2.gz NVYNKBYLIFRXKO-INIZCTEOSA-N -1 3 387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573405271 948041598 /nfs/dbraw/zinc/04/15/98/948041598.db2.gz NVYNKBYLIFRXKO-MRXNPFEDSA-N -1 3 387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573405271 948041593 /nfs/dbraw/zinc/04/15/93/948041593.db2.gz NVYNKBYLIFRXKO-MRXNPFEDSA-N -1 3 387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573405300 948041822 /nfs/dbraw/zinc/04/18/22/948041822.db2.gz OKYBGKLVKXBHJT-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573405300 948041815 /nfs/dbraw/zinc/04/18/15/948041815.db2.gz OKYBGKLVKXBHJT-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)NCC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573405302 948041713 /nfs/dbraw/zinc/04/17/13/948041713.db2.gz OKYBGKLVKXBHJT-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)NCC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573405302 948041708 /nfs/dbraw/zinc/04/17/08/948041708.db2.gz OKYBGKLVKXBHJT-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573405309 948041632 /nfs/dbraw/zinc/04/16/32/948041632.db2.gz ONPURBHFDUAZQV-CYBMUJFWSA-N -1 3 388.432 -0.630 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573405309 948041627 /nfs/dbraw/zinc/04/16/27/948041627.db2.gz ONPURBHFDUAZQV-CYBMUJFWSA-N -1 3 388.432 -0.630 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573405310 948042614 /nfs/dbraw/zinc/04/26/14/948042614.db2.gz ONPURBHFDUAZQV-ZDUSSCGKSA-N -1 3 388.432 -0.630 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573405310 948042603 /nfs/dbraw/zinc/04/26/03/948042603.db2.gz ONPURBHFDUAZQV-ZDUSSCGKSA-N -1 3 388.432 -0.630 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573405337 948042440 /nfs/dbraw/zinc/04/24/40/948042440.db2.gz PJRAMPYTWMDBBV-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573405337 948042429 /nfs/dbraw/zinc/04/24/29/948042429.db2.gz PJRAMPYTWMDBBV-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573405339 948041977 /nfs/dbraw/zinc/04/19/77/948041977.db2.gz PJRAMPYTWMDBBV-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573405339 948041970 /nfs/dbraw/zinc/04/19/70/948041970.db2.gz PJRAMPYTWMDBBV-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573405365 948041953 /nfs/dbraw/zinc/04/19/53/948041953.db2.gz QAQYDXZIBYTZBX-INIZCTEOSA-N -1 3 387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573405365 948041944 /nfs/dbraw/zinc/04/19/44/948041944.db2.gz QAQYDXZIBYTZBX-INIZCTEOSA-N -1 3 387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573405412 948043310 /nfs/dbraw/zinc/04/33/10/948043310.db2.gz QAQYDXZIBYTZBX-MRXNPFEDSA-N -1 3 387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573405412 948043302 /nfs/dbraw/zinc/04/33/02/948043302.db2.gz 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CC(=O)N(C)CC(=O)NC[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573405460 948043768 /nfs/dbraw/zinc/04/37/68/948043768.db2.gz QYKOQELOBWDXNB-HNNXBMFYSA-N -1 3 387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573405461 948044071 /nfs/dbraw/zinc/04/40/71/948044071.db2.gz QYKOQELOBWDXNB-OAHLLOKOSA-N -1 3 387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573405461 948044060 /nfs/dbraw/zinc/04/40/60/948044060.db2.gz QYKOQELOBWDXNB-OAHLLOKOSA-N -1 3 387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573405469 948045607 /nfs/dbraw/zinc/04/56/07/948045607.db2.gz RRKFXVVBJCPVBC-INIZCTEOSA-N -1 3 387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573405469 948045596 /nfs/dbraw/zinc/04/55/96/948045596.db2.gz RRKFXVVBJCPVBC-INIZCTEOSA-N -1 3 387.444 -0.338 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573405470 948045722 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391.407 -0.853 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1 ZINC001573405715 948046643 /nfs/dbraw/zinc/04/66/43/948046643.db2.gz UXPJHXNURSQRMS-AWEZNQCLSA-N -1 3 388.432 -0.549 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1 ZINC001573405715 948046636 /nfs/dbraw/zinc/04/66/36/948046636.db2.gz UXPJHXNURSQRMS-AWEZNQCLSA-N -1 3 388.432 -0.549 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCCO1 ZINC001573405716 948047521 /nfs/dbraw/zinc/04/75/21/948047521.db2.gz UXPJHXNURSQRMS-CQSZACIVSA-N -1 3 388.432 -0.549 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCCO1 ZINC001573405716 948047513 /nfs/dbraw/zinc/04/75/13/948047513.db2.gz UXPJHXNURSQRMS-CQSZACIVSA-N -1 3 388.432 -0.549 20 0 GBADHM CC(=O)N(C)CC(=O)NCC1=CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573405749 948047485 /nfs/dbraw/zinc/04/74/85/948047485.db2.gz VTOJRZKDBNCZOE-UHFFFAOYSA-N -1 3 386.416 -0.438 20 0 GBADHM 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ZINC001573405906 948048509 /nfs/dbraw/zinc/04/85/09/948048509.db2.gz YPMDQHZVBHNQQW-UHFFFAOYSA-N -1 3 391.407 -0.853 20 0 GBADHM CC(=O)N(C)CC(=O)NCC1(O)CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573405906 948048505 /nfs/dbraw/zinc/04/85/05/948048505.db2.gz YPMDQHZVBHNQQW-UHFFFAOYSA-N -1 3 391.407 -0.853 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573405920 948048538 /nfs/dbraw/zinc/04/85/38/948048538.db2.gz YSVUASCHOVMPGR-GFCCVEGCSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573405920 948048534 /nfs/dbraw/zinc/04/85/34/948048534.db2.gz YSVUASCHOVMPGR-GFCCVEGCSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573405923 948048967 /nfs/dbraw/zinc/04/89/67/948048967.db2.gz YSVUASCHOVMPGR-LBPRGKRZSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573405923 948048958 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CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573406971 948059812 /nfs/dbraw/zinc/05/98/12/948059812.db2.gz YQYGEQHMKOGDPB-JOCQHMNTSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573406971 948059807 /nfs/dbraw/zinc/05/98/07/948059807.db2.gz YQYGEQHMKOGDPB-JOCQHMNTSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573406976 948059912 /nfs/dbraw/zinc/05/99/12/948059912.db2.gz YZBSPQCHFWZYLI-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H](CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573406976 948059905 /nfs/dbraw/zinc/05/99/05/948059905.db2.gz YZBSPQCHFWZYLI-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001573406983 948060222 /nfs/dbraw/zinc/06/02/22/948060222.db2.gz ZJZUNOBCANIXQB-CABCVRRESA-N -1 3 391.407 -0.855 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001573406983 948060214 /nfs/dbraw/zinc/06/02/14/948060214.db2.gz ZJZUNOBCANIXQB-CABCVRRESA-N -1 3 391.407 -0.855 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573406984 948059786 /nfs/dbraw/zinc/05/97/86/948059786.db2.gz ZJZUNOBCANIXQB-HUUCEWRRSA-N -1 3 391.407 -0.855 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001573406984 948059781 /nfs/dbraw/zinc/05/97/81/948059781.db2.gz ZJZUNOBCANIXQB-HUUCEWRRSA-N -1 3 391.407 -0.855 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573406985 948059644 /nfs/dbraw/zinc/05/96/44/948059644.db2.gz ZMPRYWHSJTYHBF-CHWSQXEVSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573406985 948059636 /nfs/dbraw/zinc/05/96/36/948059636.db2.gz ZMPRYWHSJTYHBF-CHWSQXEVSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573406987 948061095 /nfs/dbraw/zinc/06/10/95/948061095.db2.gz ZOVDVQRYQVDGTM-DGCLKSJQSA-N -1 3 377.380 -0.850 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573406987 948061087 /nfs/dbraw/zinc/06/10/87/948061087.db2.gz ZOVDVQRYQVDGTM-DGCLKSJQSA-N -1 3 377.380 -0.850 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573406988 948061316 /nfs/dbraw/zinc/06/13/16/948061316.db2.gz ZOVDVQRYQVDGTM-YPMHNXCESA-N -1 3 377.380 -0.850 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573406988 948061310 /nfs/dbraw/zinc/06/13/10/948061310.db2.gz ZOVDVQRYQVDGTM-YPMHNXCESA-N -1 3 377.380 -0.850 20 0 GBADHM CC(=O)N(C)CCCC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573408016 948060658 /nfs/dbraw/zinc/06/06/58/948060658.db2.gz ADGUYBHWNRMXFM-UHFFFAOYSA-N -1 3 376.421 -0.359 20 0 GBADHM CC(=O)N(C)CCCC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573408016 948060648 /nfs/dbraw/zinc/06/06/48/948060648.db2.gz ADGUYBHWNRMXFM-UHFFFAOYSA-N -1 3 376.421 -0.359 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573408044 948061753 /nfs/dbraw/zinc/06/17/53/948061753.db2.gz AKLURBYOKYBOEO-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573408044 948061743 /nfs/dbraw/zinc/06/17/43/948061743.db2.gz AKLURBYOKYBOEO-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573408120 948063127 /nfs/dbraw/zinc/06/31/27/948063127.db2.gz BSMYGBWKGAQJKN-BETUJISGSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573408120 948063118 /nfs/dbraw/zinc/06/31/18/948063118.db2.gz BSMYGBWKGAQJKN-BETUJISGSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573408121 948061563 /nfs/dbraw/zinc/06/15/63/948061563.db2.gz BTVZTMGOTOKSEG-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573408121 948061554 /nfs/dbraw/zinc/06/15/54/948061554.db2.gz BTVZTMGOTOKSEG-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573408122 948062386 /nfs/dbraw/zinc/06/23/86/948062386.db2.gz BTVZTMGOTOKSEG-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573408122 948062379 /nfs/dbraw/zinc/06/23/79/948062379.db2.gz BTVZTMGOTOKSEG-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573408123 948062794 /nfs/dbraw/zinc/06/27/94/948062794.db2.gz BUMKKEJIOXKDNO-UHFFFAOYSA-N -1 3 376.421 -0.359 20 0 GBADHM CC(=O)N(C)CCCC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573408123 948062783 /nfs/dbraw/zinc/06/27/83/948062783.db2.gz BUMKKEJIOXKDNO-UHFFFAOYSA-N -1 3 376.421 -0.359 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573408124 948062444 /nfs/dbraw/zinc/06/24/44/948062444.db2.gz BWWVMUJUVTZMRE-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573408124 948062434 /nfs/dbraw/zinc/06/24/34/948062434.db2.gz BWWVMUJUVTZMRE-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573408125 948062631 /nfs/dbraw/zinc/06/26/31/948062631.db2.gz BWWVMUJUVTZMRE-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573408125 948062622 /nfs/dbraw/zinc/06/26/22/948062622.db2.gz BWWVMUJUVTZMRE-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573408136 948061897 /nfs/dbraw/zinc/06/18/97/948061897.db2.gz CBIMQKPGAJFBOL-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573408136 948061887 /nfs/dbraw/zinc/06/18/87/948061887.db2.gz CBIMQKPGAJFBOL-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573408215 948064080 /nfs/dbraw/zinc/06/40/80/948064080.db2.gz DLTWFEWQUPQKMQ-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573408215 948064072 /nfs/dbraw/zinc/06/40/72/948064072.db2.gz DLTWFEWQUPQKMQ-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573408216 948065189 /nfs/dbraw/zinc/06/51/89/948065189.db2.gz DLTWFEWQUPQKMQ-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573408216 948065177 /nfs/dbraw/zinc/06/51/77/948065177.db2.gz DLTWFEWQUPQKMQ-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573408367 948064135 /nfs/dbraw/zinc/06/41/35/948064135.db2.gz FFUGGOMCHQAYDJ-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573408367 948064126 /nfs/dbraw/zinc/06/41/26/948064126.db2.gz FFUGGOMCHQAYDJ-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573408368 948066010 /nfs/dbraw/zinc/06/60/10/948066010.db2.gz FFUGGOMCHQAYDJ-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573408368 948066002 /nfs/dbraw/zinc/06/60/02/948066002.db2.gz FFUGGOMCHQAYDJ-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573408371 948064713 /nfs/dbraw/zinc/06/47/13/948064713.db2.gz FIWPTPCTNRPUCO-UHFFFAOYSA-N -1 3 390.448 -0.016 20 0 GBADHM CC(=O)N(C)CCCC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573408371 948064707 /nfs/dbraw/zinc/06/47/07/948064707.db2.gz FIWPTPCTNRPUCO-UHFFFAOYSA-N -1 3 390.448 -0.016 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573408407 948065987 /nfs/dbraw/zinc/06/59/87/948065987.db2.gz GEDFCQZJTDBPPY-LLVKDONJSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573408407 948065980 /nfs/dbraw/zinc/06/59/80/948065980.db2.gz GEDFCQZJTDBPPY-LLVKDONJSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573408408 948064874 /nfs/dbraw/zinc/06/48/74/948064874.db2.gz GEDFCQZJTDBPPY-NSHDSACASA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573408408 948064867 /nfs/dbraw/zinc/06/48/67/948064867.db2.gz GEDFCQZJTDBPPY-NSHDSACASA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573408416 948064630 /nfs/dbraw/zinc/06/46/30/948064630.db2.gz GJFBLFLIAZDHSU-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573408416 948064619 /nfs/dbraw/zinc/06/46/19/948064619.db2.gz GJFBLFLIAZDHSU-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573408417 948065023 /nfs/dbraw/zinc/06/50/23/948065023.db2.gz GJFBLFLIAZDHSU-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573408417 948065014 /nfs/dbraw/zinc/06/50/14/948065014.db2.gz GJFBLFLIAZDHSU-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573408659 948066547 /nfs/dbraw/zinc/06/65/47/948066547.db2.gz KHIPSTHQOHBIPK-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573408659 948066540 /nfs/dbraw/zinc/06/65/40/948066540.db2.gz KHIPSTHQOHBIPK-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573408660 948068006 /nfs/dbraw/zinc/06/80/06/948068006.db2.gz KHIPSTHQOHBIPK-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573408660 948067997 /nfs/dbraw/zinc/06/79/97/948067997.db2.gz KHIPSTHQOHBIPK-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573408664 948067934 /nfs/dbraw/zinc/06/79/34/948067934.db2.gz KJMDCKPMUQCIIA-UHFFFAOYSA-N -1 3 390.448 -0.016 20 0 GBADHM CC(=O)N(C)CCCC(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573408664 948067925 /nfs/dbraw/zinc/06/79/25/948067925.db2.gz KJMDCKPMUQCIIA-UHFFFAOYSA-N -1 3 390.448 -0.016 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573408708 948070211 /nfs/dbraw/zinc/07/02/11/948070211.db2.gz MBTFWEFWMOBVKX-UHFFFAOYSA-N -1 3 388.432 -0.262 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573408708 948070203 /nfs/dbraw/zinc/07/02/03/948070203.db2.gz MBTFWEFWMOBVKX-UHFFFAOYSA-N -1 3 388.432 -0.262 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573408715 948070282 /nfs/dbraw/zinc/07/02/82/948070282.db2.gz MQVGXVGLBHKHBM-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573408715 948070274 /nfs/dbraw/zinc/07/02/74/948070274.db2.gz MQVGXVGLBHKHBM-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573408716 948069702 /nfs/dbraw/zinc/06/97/02/948069702.db2.gz MQVGXVGLBHKHBM-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573408716 948069694 /nfs/dbraw/zinc/06/96/94/948069694.db2.gz MQVGXVGLBHKHBM-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573408726 948069762 /nfs/dbraw/zinc/06/97/62/948069762.db2.gz MXHNBMBCDQJILT-GFCCVEGCSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573408726 948069754 /nfs/dbraw/zinc/06/97/54/948069754.db2.gz MXHNBMBCDQJILT-GFCCVEGCSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573408727 948070680 /nfs/dbraw/zinc/07/06/80/948070680.db2.gz MXHNBMBCDQJILT-LBPRGKRZSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573408727 948070672 /nfs/dbraw/zinc/07/06/72/948070672.db2.gz MXHNBMBCDQJILT-LBPRGKRZSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573408861 948070090 /nfs/dbraw/zinc/07/00/90/948070090.db2.gz NPMLAVAGYRTWOB-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573408861 948070079 /nfs/dbraw/zinc/07/00/79/948070079.db2.gz NPMLAVAGYRTWOB-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573408863 948069562 /nfs/dbraw/zinc/06/95/62/948069562.db2.gz NPMLAVAGYRTWOB-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573408863 948069551 /nfs/dbraw/zinc/06/95/51/948069551.db2.gz NPMLAVAGYRTWOB-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573408898 948072778 /nfs/dbraw/zinc/07/27/78/948072778.db2.gz OEUYYUMPSUEEEQ-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573408898 948072766 /nfs/dbraw/zinc/07/27/66/948072766.db2.gz OEUYYUMPSUEEEQ-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573408921 948072923 /nfs/dbraw/zinc/07/29/23/948072923.db2.gz OYNWTDGMLZWSHC-GFCCVEGCSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573408921 948072914 /nfs/dbraw/zinc/07/29/14/948072914.db2.gz OYNWTDGMLZWSHC-GFCCVEGCSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573408922 948072270 /nfs/dbraw/zinc/07/22/70/948072270.db2.gz OYNWTDGMLZWSHC-LBPRGKRZSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573408922 948072261 /nfs/dbraw/zinc/07/22/61/948072261.db2.gz OYNWTDGMLZWSHC-LBPRGKRZSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573408957 948071342 /nfs/dbraw/zinc/07/13/42/948071342.db2.gz POHVTXIBLLNMFP-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573408957 948071332 /nfs/dbraw/zinc/07/13/32/948071332.db2.gz POHVTXIBLLNMFP-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CCCC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573408993 948071423 /nfs/dbraw/zinc/07/14/23/948071423.db2.gz PRBNTKMQEMHJBN-UHFFFAOYSA-N -1 3 390.448 -0.016 20 0 GBADHM CC(=O)N(C)CCCC(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573408993 948071415 /nfs/dbraw/zinc/07/14/15/948071415.db2.gz PRBNTKMQEMHJBN-UHFFFAOYSA-N -1 3 390.448 -0.016 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573409002 948071489 /nfs/dbraw/zinc/07/14/89/948071489.db2.gz PTTKNKNRQRXXIT-LLVKDONJSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573409002 948071482 /nfs/dbraw/zinc/07/14/82/948071482.db2.gz PTTKNKNRQRXXIT-LLVKDONJSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573409006 948072042 /nfs/dbraw/zinc/07/20/42/948072042.db2.gz PTTKNKNRQRXXIT-NSHDSACASA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573409006 948072036 /nfs/dbraw/zinc/07/20/36/948072036.db2.gz PTTKNKNRQRXXIT-NSHDSACASA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@H]21 ZINC001573409098 948071976 /nfs/dbraw/zinc/07/19/76/948071976.db2.gz QBAJRPWOTXXTLQ-IWIIMEHWSA-N -1 3 376.446 -0.339 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573409147 948071507 /nfs/dbraw/zinc/07/15/07/948071507.db2.gz QDSCSUGBWMXSEV-HAQNSBGRSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573409147 948071500 /nfs/dbraw/zinc/07/15/00/948071500.db2.gz QDSCSUGBWMXSEV-HAQNSBGRSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573409151 948073192 /nfs/dbraw/zinc/07/31/92/948073192.db2.gz QDSCSUGBWMXSEV-TXEJJXNPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573409151 948073184 /nfs/dbraw/zinc/07/31/84/948073184.db2.gz QDSCSUGBWMXSEV-TXEJJXNPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573409163 948073481 /nfs/dbraw/zinc/07/34/81/948073481.db2.gz QFUFCEAQJBSEOK-LLVKDONJSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573409163 948073473 /nfs/dbraw/zinc/07/34/73/948073473.db2.gz QFUFCEAQJBSEOK-LLVKDONJSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573409167 948071593 /nfs/dbraw/zinc/07/15/93/948071593.db2.gz QFUFCEAQJBSEOK-NSHDSACASA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)N(C)CCCC(=O)NC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573409167 948071583 /nfs/dbraw/zinc/07/15/83/948071583.db2.gz QFUFCEAQJBSEOK-NSHDSACASA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573409359 948071671 /nfs/dbraw/zinc/07/16/71/948071671.db2.gz RGIYHCWDKJKELB-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573409359 948071664 /nfs/dbraw/zinc/07/16/64/948071664.db2.gz RGIYHCWDKJKELB-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573409364 948071567 /nfs/dbraw/zinc/07/15/67/948071567.db2.gz RGMDJKZJTGFSBX-DYEKYZERSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573409364 948071558 /nfs/dbraw/zinc/07/15/58/948071558.db2.gz RGMDJKZJTGFSBX-DYEKYZERSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573409424 948075064 /nfs/dbraw/zinc/07/50/64/948075064.db2.gz RKHVAKGNENTUHG-UHFFFAOYSA-N -1 3 388.432 -0.262 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573409424 948075054 /nfs/dbraw/zinc/07/50/54/948075054.db2.gz RKHVAKGNENTUHG-UHFFFAOYSA-N -1 3 388.432 -0.262 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]21 ZINC001573409692 948074742 /nfs/dbraw/zinc/07/47/42/948074742.db2.gz VLXZCDHIOVBFTB-YABSGUDNSA-N -1 3 390.835 -0.056 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]21 ZINC001573409692 948074732 /nfs/dbraw/zinc/07/47/32/948074732.db2.gz VLXZCDHIOVBFTB-YABSGUDNSA-N -1 3 390.835 -0.056 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573409751 948076857 /nfs/dbraw/zinc/07/68/57/948076857.db2.gz WAGIQUYUIDFGTH-SWHYSGLUSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573409751 948076847 /nfs/dbraw/zinc/07/68/47/948076847.db2.gz WAGIQUYUIDFGTH-SWHYSGLUSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573409755 948078265 /nfs/dbraw/zinc/07/82/65/948078265.db2.gz WAPPYGSUWYPMGO-GFCCVEGCSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573409755 948078250 /nfs/dbraw/zinc/07/82/50/948078250.db2.gz WAPPYGSUWYPMGO-GFCCVEGCSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573409759 948077055 /nfs/dbraw/zinc/07/70/55/948077055.db2.gz WAPPYGSUWYPMGO-LBPRGKRZSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573409759 948077045 /nfs/dbraw/zinc/07/70/45/948077045.db2.gz WAPPYGSUWYPMGO-LBPRGKRZSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573409864 948078122 /nfs/dbraw/zinc/07/81/22/948078122.db2.gz XOLGRRLAIHBQSM-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573409864 948078112 /nfs/dbraw/zinc/07/81/12/948078112.db2.gz XOLGRRLAIHBQSM-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573409866 948077429 /nfs/dbraw/zinc/07/74/29/948077429.db2.gz XOLGRRLAIHBQSM-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573409866 948077422 /nfs/dbraw/zinc/07/74/22/948077422.db2.gz XOLGRRLAIHBQSM-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573409882 948077974 /nfs/dbraw/zinc/07/79/74/948077974.db2.gz XXZIPWMJZABXOH-BETUJISGSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573409882 948077967 /nfs/dbraw/zinc/07/79/67/948077967.db2.gz XXZIPWMJZABXOH-BETUJISGSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573409884 948077839 /nfs/dbraw/zinc/07/78/39/948077839.db2.gz XXZIPWMJZABXOH-JOCQHMNTSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CCCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573409884 948077830 /nfs/dbraw/zinc/07/78/30/948077830.db2.gz XXZIPWMJZABXOH-JOCQHMNTSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573409889 948077456 /nfs/dbraw/zinc/07/74/56/948077456.db2.gz YBMYHWGTOYAXBV-DYEKYZERSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573409889 948077447 /nfs/dbraw/zinc/07/74/47/948077447.db2.gz YBMYHWGTOYAXBV-DYEKYZERSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N(C)CCCC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573409892 948077482 /nfs/dbraw/zinc/07/74/82/948077482.db2.gz YBXFFTGVHNKJKZ-UHFFFAOYSA-N -1 3 376.421 -0.359 20 0 GBADHM CC(=O)N(C)CCCC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573409892 948077475 /nfs/dbraw/zinc/07/74/75/948077475.db2.gz YBXFFTGVHNKJKZ-UHFFFAOYSA-N -1 3 376.421 -0.359 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573409911 948078063 /nfs/dbraw/zinc/07/80/63/948078063.db2.gz YJVHPEOTBNGDAY-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573409911 948078053 /nfs/dbraw/zinc/07/80/53/948078053.db2.gz YJVHPEOTBNGDAY-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573409995 948077326 /nfs/dbraw/zinc/07/73/26/948077326.db2.gz ZMJRHWYKIADWGP-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573409995 948077317 /nfs/dbraw/zinc/07/73/17/948077317.db2.gz ZMJRHWYKIADWGP-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573409997 948076830 /nfs/dbraw/zinc/07/68/30/948076830.db2.gz ZMJRHWYKIADWGP-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573409997 948076821 /nfs/dbraw/zinc/07/68/21/948076821.db2.gz ZMJRHWYKIADWGP-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573410003 948077529 /nfs/dbraw/zinc/07/75/29/948077529.db2.gz ZNONRJPMTLDGRC-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573410003 948077519 /nfs/dbraw/zinc/07/75/19/948077519.db2.gz ZNONRJPMTLDGRC-CYBMUJFWSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573410005 948077028 /nfs/dbraw/zinc/07/70/28/948077028.db2.gz ZNONRJPMTLDGRC-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573410005 948077018 /nfs/dbraw/zinc/07/70/18/948077018.db2.gz ZNONRJPMTLDGRC-ZDUSSCGKSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573410023 948080009 /nfs/dbraw/zinc/08/00/09/948080009.db2.gz ZWJOVDLQIKUNOV-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N(C)CCCC(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573410023 948079998 /nfs/dbraw/zinc/07/99/98/948079998.db2.gz ZWJOVDLQIKUNOV-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573413245 948079605 /nfs/dbraw/zinc/07/96/05/948079605.db2.gz AJAPBGVRXYAJDU-LLVKDONJSA-N -1 3 386.416 -0.749 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573413245 948079597 /nfs/dbraw/zinc/07/95/97/948079597.db2.gz AJAPBGVRXYAJDU-LLVKDONJSA-N -1 3 386.416 -0.749 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573413247 948080269 /nfs/dbraw/zinc/08/02/69/948080269.db2.gz AJAPBGVRXYAJDU-NSHDSACASA-N -1 3 386.416 -0.749 20 0 GBADHM 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ZINC001573413395 948081612 /nfs/dbraw/zinc/08/16/12/948081612.db2.gz DAPWSFWZHYSRFK-SECBINFHSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC([C@@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573413395 948081605 /nfs/dbraw/zinc/08/16/05/948081605.db2.gz DAPWSFWZHYSRFK-SECBINFHSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC([C@H](C)NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573413396 948081221 /nfs/dbraw/zinc/08/12/21/948081221.db2.gz DAPWSFWZHYSRFK-VIFPVBQESA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC([C@H](C)NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573413396 948081215 /nfs/dbraw/zinc/08/12/15/948081215.db2.gz DAPWSFWZHYSRFK-VIFPVBQESA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573413413 948081050 /nfs/dbraw/zinc/08/10/50/948081050.db2.gz DLUYYYPSLYZOHN-CYBMUJFWSA-N -1 3 386.416 -0.654 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573413413 948081041 /nfs/dbraw/zinc/08/10/41/948081041.db2.gz DLUYYYPSLYZOHN-CYBMUJFWSA-N -1 3 386.416 -0.654 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573413414 948080951 /nfs/dbraw/zinc/08/09/51/948080951.db2.gz DLUYYYPSLYZOHN-ZDUSSCGKSA-N -1 3 386.416 -0.654 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573413414 948080944 /nfs/dbraw/zinc/08/09/44/948080944.db2.gz DLUYYYPSLYZOHN-ZDUSSCGKSA-N -1 3 386.416 -0.654 20 0 GBADHM CC(=O)N1CC(C(=O)N(C)C[C@H](O)CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573413522 948081440 /nfs/dbraw/zinc/08/14/40/948081440.db2.gz AJCJUNPBUGOICJ-CYBMUJFWSA-N -1 3 388.432 -0.720 20 0 GBADHM CC(=O)N1CC(C(=O)N(C)C[C@H](O)CNc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573413522 948081429 /nfs/dbraw/zinc/08/14/29/948081429.db2.gz AJCJUNPBUGOICJ-CYBMUJFWSA-N -1 3 388.432 -0.720 20 0 GBADHM CC(=O)N1CC(C(=O)N(C)C[C@@H](O)CNc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573413523 948082437 /nfs/dbraw/zinc/08/24/37/948082437.db2.gz 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CC(=O)N1CC(C(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)cn4)C[C@H]32)C1 ZINC001573413659 948083076 /nfs/dbraw/zinc/08/30/76/948083076.db2.gz DWUKYVINPXKEKA-DZGCQCFKSA-N -1 3 382.428 -0.223 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@H]3CN(c4ccc(-c5nnn[n-]5)cn4)C[C@H]32)C1 ZINC001573413659 948083068 /nfs/dbraw/zinc/08/30/68/948083068.db2.gz DWUKYVINPXKEKA-DZGCQCFKSA-N -1 3 382.428 -0.223 20 0 GBADHM CC(=O)N1CC(C(=O)N(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)C1 ZINC001573413756 948085968 /nfs/dbraw/zinc/08/59/68/948085968.db2.gz FUBVLLKNCOOZAG-UHFFFAOYSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CC(C(=O)N(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)C1 ZINC001573413756 948085959 /nfs/dbraw/zinc/08/59/59/948085959.db2.gz FUBVLLKNCOOZAG-UHFFFAOYSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CC(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573413817 948085794 /nfs/dbraw/zinc/08/57/94/948085794.db2.gz GVWIBCUOLNWWSR-UHFFFAOYSA-N -1 3 388.432 -0.719 20 0 GBADHM CC(=O)N1CC(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573413817 948085785 /nfs/dbraw/zinc/08/57/85/948085785.db2.gz GVWIBCUOLNWWSR-UHFFFAOYSA-N -1 3 388.432 -0.719 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@H]2C)C1 ZINC001573413842 948087057 /nfs/dbraw/zinc/08/70/57/948087057.db2.gz HGBMRCQBNSMPIN-RNCFNFMXSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@H]2C)C1 ZINC001573413842 948087045 /nfs/dbraw/zinc/08/70/45/948087045.db2.gz HGBMRCQBNSMPIN-RNCFNFMXSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573413988 948089344 /nfs/dbraw/zinc/08/93/44/948089344.db2.gz IFCQYGZBPJRJKL-CYBMUJFWSA-N -1 3 386.416 -0.654 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@@H]2CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573413988 948089333 /nfs/dbraw/zinc/08/93/33/948089333.db2.gz IFCQYGZBPJRJKL-CYBMUJFWSA-N -1 3 386.416 -0.654 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@H]2CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573413990 948089372 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386.416 -0.750 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573414411 948093437 /nfs/dbraw/zinc/09/34/37/948093437.db2.gz LRAATOFTYOHELM-VIFPVBQESA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC([C@H](C)NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573414411 948093429 /nfs/dbraw/zinc/09/34/29/948093429.db2.gz LRAATOFTYOHELM-VIFPVBQESA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N1CC(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573414412 948092679 /nfs/dbraw/zinc/09/26/79/948092679.db2.gz LSVFNNFUNCFAIA-ZDUSSCGKSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CC(C(=O)N2CCC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573414412 948092670 /nfs/dbraw/zinc/09/26/70/948092670.db2.gz LSVFNNFUNCFAIA-ZDUSSCGKSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573414427 948092925 /nfs/dbraw/zinc/09/29/25/948092925.db2.gz MDILXNLULRESCS-GFCCVEGCSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CC(C(=O)N2CCC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573414427 948092918 /nfs/dbraw/zinc/09/29/18/948092918.db2.gz MDILXNLULRESCS-GFCCVEGCSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CC(C(=O)N2CCC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573414428 948092205 /nfs/dbraw/zinc/09/22/05/948092205.db2.gz MDILXNLULRESCS-LBPRGKRZSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CC(C(=O)N2CCC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573414428 948092198 /nfs/dbraw/zinc/09/21/98/948092198.db2.gz MDILXNLULRESCS-LBPRGKRZSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@](C)(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573414432 948092585 /nfs/dbraw/zinc/09/25/85/948092585.db2.gz MFJBQUFSCIKXBN-KRWDZBQOSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@](C)(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573414432 948092577 /nfs/dbraw/zinc/09/25/77/948092577.db2.gz MFJBQUFSCIKXBN-KRWDZBQOSA-N -1 3 386.416 -0.606 20 0 GBADHM 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ZINC001573414724 948099734 /nfs/dbraw/zinc/09/97/34/948099734.db2.gz OJOVTGFCYCAASP-CYBMUJFWSA-N -1 3 388.407 -0.084 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@@H](N(C)c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573414724 948099726 /nfs/dbraw/zinc/09/97/26/948099726.db2.gz OJOVTGFCYCAASP-CYBMUJFWSA-N -1 3 388.407 -0.084 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@H](N(C)c3ncc(-c4nn[n-]n4)cc3F)C2)C1 ZINC001573414725 948100529 /nfs/dbraw/zinc/10/05/29/948100529.db2.gz OJOVTGFCYCAASP-ZDUSSCGKSA-N -1 3 388.407 -0.084 20 0 GBADHM CC(=O)N1CC(C(=O)N2CC[C@H](N(C)c3ncc(-c4nnn[n-]4)cc3F)C2)C1 ZINC001573414725 948100524 /nfs/dbraw/zinc/10/05/24/948100524.db2.gz OJOVTGFCYCAASP-ZDUSSCGKSA-N -1 3 388.407 -0.084 20 0 GBADHM CC(=O)N1CC(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573414728 948100427 /nfs/dbraw/zinc/10/04/27/948100427.db2.gz OLADWANQGZQMEJ-GASCZTMLSA-N -1 3 382.428 -0.080 20 0 GBADHM CC(=O)N1CC(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573414728 948100421 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ZINC001573415263 948105612 /nfs/dbraw/zinc/10/56/12/948105612.db2.gz QMQWFNWSVCURAM-ZDUSSCGKSA-N -1 3 386.416 -0.654 20 0 GBADHM CC(=O)N1CC(C(=O)N(C)C[C@@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573415263 948105606 /nfs/dbraw/zinc/10/56/06/948105606.db2.gz QMQWFNWSVCURAM-ZDUSSCGKSA-N -1 3 386.416 -0.654 20 0 GBADHM CC(=O)N1CC(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573415277 948105427 /nfs/dbraw/zinc/10/54/27/948105427.db2.gz QXCIIGGLGXLPLI-CYBMUJFWSA-N -1 3 388.432 -0.720 20 0 GBADHM CC(=O)N1CC(C(=O)N(C)C[C@H](O)CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573415277 948105422 /nfs/dbraw/zinc/10/54/22/948105422.db2.gz QXCIIGGLGXLPLI-CYBMUJFWSA-N -1 3 388.432 -0.720 20 0 GBADHM CC(=O)N1CC(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573415278 948105281 /nfs/dbraw/zinc/10/52/81/948105281.db2.gz QXCIIGGLGXLPLI-ZDUSSCGKSA-N -1 3 388.432 -0.720 20 0 GBADHM CC(=O)N1CC(C(=O)N(C)C[C@@H](O)CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573415278 948105278 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CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573419431 948123893 /nfs/dbraw/zinc/12/38/93/948123893.db2.gz MNZQLJXOELJVBV-NXEZZACHSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573419431 948123891 /nfs/dbraw/zinc/12/38/91/948123891.db2.gz MNZQLJXOELJVBV-NXEZZACHSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573419433 948123575 /nfs/dbraw/zinc/12/35/75/948123575.db2.gz MNZQLJXOELJVBV-UWVGGRQHSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573419433 948123570 /nfs/dbraw/zinc/12/35/70/948123570.db2.gz MNZQLJXOELJVBV-UWVGGRQHSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573419436 948123089 /nfs/dbraw/zinc/12/30/89/948123089.db2.gz MNZQLJXOELJVBV-VHSXEESVSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573419436 948123081 /nfs/dbraw/zinc/12/30/81/948123081.db2.gz MNZQLJXOELJVBV-VHSXEESVSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573419438 948123620 /nfs/dbraw/zinc/12/36/20/948123620.db2.gz MNZQLJXOELJVBV-ZJUUUORDSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573419438 948123616 /nfs/dbraw/zinc/12/36/16/948123616.db2.gz MNZQLJXOELJVBV-ZJUUUORDSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C)C1 ZINC001573419454 948122835 /nfs/dbraw/zinc/12/28/35/948122835.db2.gz MPYXPUHKMBHLJV-LKFCYVNXSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C)C1 ZINC001573419454 948122827 /nfs/dbraw/zinc/12/28/27/948122827.db2.gz MPYXPUHKMBHLJV-LKFCYVNXSA-N -1 3 386.416 -0.750 20 0 GBADHM 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CC(=O)N1CC(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573419808 948129257 /nfs/dbraw/zinc/12/92/57/948129257.db2.gz SSPSRFAGEJIWAF-UHFFFAOYSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N1CC(C(=O)NC2CC(N(C)C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573419808 948129253 /nfs/dbraw/zinc/12/92/53/948129253.db2.gz SSPSRFAGEJIWAF-UHFFFAOYSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573419813 948128274 /nfs/dbraw/zinc/12/82/74/948128274.db2.gz SWMNEJOUDPJFIV-BXKDBHETSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573419813 948128268 /nfs/dbraw/zinc/12/82/68/948128268.db2.gz SWMNEJOUDPJFIV-BXKDBHETSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573419814 948129469 /nfs/dbraw/zinc/12/94/69/948129469.db2.gz SWMNEJOUDPJFIV-CABZTGNLSA-N -1 3 386.416 -0.608 20 0 GBADHM 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ZINC001573419915 948130577 /nfs/dbraw/zinc/13/05/77/948130577.db2.gz VIILCQYJYBGEST-QGZVFWFLSA-N -1 3 388.407 -0.036 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)C)C1 ZINC001573419931 948132901 /nfs/dbraw/zinc/13/29/01/948132901.db2.gz VYHFYLUAGPUSCG-AWEZNQCLSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)C)C1 ZINC001573419931 948132897 /nfs/dbraw/zinc/13/28/97/948132897.db2.gz VYHFYLUAGPUSCG-AWEZNQCLSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)C)C1 ZINC001573419932 948132533 /nfs/dbraw/zinc/13/25/33/948132533.db2.gz VYHFYLUAGPUSCG-CQSZACIVSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N1CC(C(=O)N[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)C)C1 ZINC001573419932 948132529 /nfs/dbraw/zinc/13/25/29/948132529.db2.gz VYHFYLUAGPUSCG-CQSZACIVSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N1CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573419939 948132472 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ZINC001573428914 948167939 /nfs/dbraw/zinc/16/79/39/948167939.db2.gz DDDAYIPYEGWSCU-CYBMUJFWSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001573428917 948168645 /nfs/dbraw/zinc/16/86/45/948168645.db2.gz DDDAYIPYEGWSCU-ZDUSSCGKSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001573428917 948168640 /nfs/dbraw/zinc/16/86/40/948168640.db2.gz DDDAYIPYEGWSCU-ZDUSSCGKSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573428919 948168590 /nfs/dbraw/zinc/16/85/90/948168590.db2.gz DIBBEHUMZAGBKN-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573428919 948168588 /nfs/dbraw/zinc/16/85/88/948168588.db2.gz DIBBEHUMZAGBKN-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573428921 948168231 /nfs/dbraw/zinc/16/82/31/948168231.db2.gz DIBBEHUMZAGBKN-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573428921 948168226 /nfs/dbraw/zinc/16/82/26/948168226.db2.gz DIBBEHUMZAGBKN-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573429400 948171089 /nfs/dbraw/zinc/17/10/89/948171089.db2.gz IIEXYCGHWOFWKY-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573429400 948171081 /nfs/dbraw/zinc/17/10/81/948171081.db2.gz IIEXYCGHWOFWKY-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)N[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573429401 948171238 /nfs/dbraw/zinc/17/12/38/948171238.db2.gz IIEXYCGHWOFWKY-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)N[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573429401 948171232 /nfs/dbraw/zinc/17/12/32/948171232.db2.gz 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ZINC001573430097 948175138 /nfs/dbraw/zinc/17/51/38/948175138.db2.gz NTYGEMLKWCXYBB-CQSZACIVSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573430097 948175134 /nfs/dbraw/zinc/17/51/34/948175134.db2.gz NTYGEMLKWCXYBB-CQSZACIVSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573430112 948175823 /nfs/dbraw/zinc/17/58/23/948175823.db2.gz OAOLHTNMGQVFHK-AWEZNQCLSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573430112 948175818 /nfs/dbraw/zinc/17/58/18/948175818.db2.gz OAOLHTNMGQVFHK-AWEZNQCLSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573430113 948175775 /nfs/dbraw/zinc/17/57/75/948175775.db2.gz OAOLHTNMGQVFHK-CQSZACIVSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573430113 948175770 /nfs/dbraw/zinc/17/57/70/948175770.db2.gz OAOLHTNMGQVFHK-CQSZACIVSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573430485 948176129 /nfs/dbraw/zinc/17/61/29/948176129.db2.gz PCAXHEQCYNALKH-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573430485 948176125 /nfs/dbraw/zinc/17/61/25/948176125.db2.gz PCAXHEQCYNALKH-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573430487 948176483 /nfs/dbraw/zinc/17/64/83/948176483.db2.gz PCAXHEQCYNALKH-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573430487 948176479 /nfs/dbraw/zinc/17/64/79/948176479.db2.gz PCAXHEQCYNALKH-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CC1 ZINC001573430543 948175843 /nfs/dbraw/zinc/17/58/43/948175843.db2.gz QDYBWTFZOJEZAW-UHFFFAOYSA-N -1 3 386.416 -0.606 20 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CC(=O)N1CCC(C(=O)NC[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573430982 948177753 /nfs/dbraw/zinc/17/77/53/948177753.db2.gz SPYHTYUSQHIKDL-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573430982 948177750 /nfs/dbraw/zinc/17/77/50/948177750.db2.gz SPYHTYUSQHIKDL-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573430983 948177848 /nfs/dbraw/zinc/17/78/48/948177848.db2.gz SSKJVHQJBLSGLX-AWEZNQCLSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573430983 948177844 /nfs/dbraw/zinc/17/78/44/948177844.db2.gz SSKJVHQJBLSGLX-AWEZNQCLSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573430984 948177483 /nfs/dbraw/zinc/17/74/83/948177483.db2.gz SSKJVHQJBLSGLX-CQSZACIVSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573430984 948177477 /nfs/dbraw/zinc/17/74/77/948177477.db2.gz SSKJVHQJBLSGLX-CQSZACIVSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573431015 948179284 /nfs/dbraw/zinc/17/92/84/948179284.db2.gz UHABCTMHCLFZLR-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC(C(=O)NCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573431015 948179277 /nfs/dbraw/zinc/17/92/77/948179277.db2.gz UHABCTMHCLFZLR-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@H](O)CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573431041 948179303 /nfs/dbraw/zinc/17/93/03/948179303.db2.gz URBWDYGJULQEOR-CYBMUJFWSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@H](O)CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573431041 948179297 /nfs/dbraw/zinc/17/92/97/948179297.db2.gz URBWDYGJULQEOR-CYBMUJFWSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC(C(=O)NC[C@@H](O)CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573431044 948178823 /nfs/dbraw/zinc/17/88/23/948178823.db2.gz 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CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573434677 948217566 /nfs/dbraw/zinc/21/75/66/948217566.db2.gz SEZGBGSSYJKOQI-SUMWQHHRSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573434677 948217560 /nfs/dbraw/zinc/21/75/60/948217560.db2.gz SEZGBGSSYJKOQI-SUMWQHHRSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CC[C@](C)(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573434917 948222058 /nfs/dbraw/zinc/22/20/58/948222058.db2.gz SLFGNTHCKQRKJR-KRWDZBQOSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CC[C@](C)(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573434917 948222049 /nfs/dbraw/zinc/22/20/49/948222049.db2.gz SLFGNTHCKQRKJR-KRWDZBQOSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CC[C@@](C)(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573434918 948222377 /nfs/dbraw/zinc/22/23/77/948222377.db2.gz SLFGNTHCKQRKJR-QGZVFWFLSA-N -1 3 386.416 -0.606 20 0 GBADHM 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CC(=O)N1CC[C@](C)(C(=O)NCCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573434999 948223863 /nfs/dbraw/zinc/22/38/63/948223863.db2.gz UQVNTZSUNAUCRM-KRWDZBQOSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)N1CC[C@](C)(C(=O)NCCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573434999 948223855 /nfs/dbraw/zinc/22/38/55/948223855.db2.gz UQVNTZSUNAUCRM-KRWDZBQOSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)N1CC[C@@](C)(C(=O)NCCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573435000 948223845 /nfs/dbraw/zinc/22/38/45/948223845.db2.gz UQVNTZSUNAUCRM-QGZVFWFLSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)N1CC[C@@](C)(C(=O)NCCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573435000 948223836 /nfs/dbraw/zinc/22/38/36/948223836.db2.gz UQVNTZSUNAUCRM-QGZVFWFLSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573435427 948229104 /nfs/dbraw/zinc/22/91/04/948229104.db2.gz WUQWYNMUSLZAGQ-KRWDZBQOSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CC[C@](C)(C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573435427 948229098 /nfs/dbraw/zinc/22/90/98/948229098.db2.gz WUQWYNMUSLZAGQ-KRWDZBQOSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573435429 948228568 /nfs/dbraw/zinc/22/85/68/948228568.db2.gz WUQWYNMUSLZAGQ-QGZVFWFLSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573435429 948228559 /nfs/dbraw/zinc/22/85/59/948228559.db2.gz WUQWYNMUSLZAGQ-QGZVFWFLSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CC[C@](C)(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573435458 948230190 /nfs/dbraw/zinc/23/01/90/948230190.db2.gz WYVICROORJFXJC-KRWDZBQOSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CC[C@](C)(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573435458 948230181 /nfs/dbraw/zinc/23/01/81/948230181.db2.gz WYVICROORJFXJC-KRWDZBQOSA-N -1 3 386.416 -0.606 20 0 GBADHM 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CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573439231 948244352 /nfs/dbraw/zinc/24/43/52/948244352.db2.gz JZTKEIWHQANODO-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573439231 948244346 /nfs/dbraw/zinc/24/43/46/948244346.db2.gz JZTKEIWHQANODO-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573439243 948244986 /nfs/dbraw/zinc/24/49/86/948244986.db2.gz KBFZNQGMHIEQDI-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573439243 948244976 /nfs/dbraw/zinc/24/49/76/948244976.db2.gz KBFZNQGMHIEQDI-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573439245 948244725 /nfs/dbraw/zinc/24/47/25/948244725.db2.gz KBFZNQGMHIEQDI-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573439245 948244718 /nfs/dbraw/zinc/24/47/18/948244718.db2.gz KBFZNQGMHIEQDI-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573439532 948247468 /nfs/dbraw/zinc/24/74/68/948247468.db2.gz LXZFXCGLULEPPN-LLVKDONJSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573439532 948247456 /nfs/dbraw/zinc/24/74/56/948247456.db2.gz LXZFXCGLULEPPN-LLVKDONJSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573439534 948247587 /nfs/dbraw/zinc/24/75/87/948247587.db2.gz LXZFXCGLULEPPN-NSHDSACASA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573439534 948247579 /nfs/dbraw/zinc/24/75/79/948247579.db2.gz LXZFXCGLULEPPN-NSHDSACASA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573439710 948249220 /nfs/dbraw/zinc/24/92/20/948249220.db2.gz QACOLKHZSPCUGS-LLVKDONJSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573439710 948249211 /nfs/dbraw/zinc/24/92/11/948249211.db2.gz QACOLKHZSPCUGS-LLVKDONJSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573439711 948249023 /nfs/dbraw/zinc/24/90/23/948249023.db2.gz QACOLKHZSPCUGS-NSHDSACASA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573439711 948249014 /nfs/dbraw/zinc/24/90/14/948249014.db2.gz QACOLKHZSPCUGS-NSHDSACASA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573439731 948251469 /nfs/dbraw/zinc/25/14/69/948251469.db2.gz QNKAWYNHSZKSHS-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573439731 948251463 /nfs/dbraw/zinc/25/14/63/948251463.db2.gz QNKAWYNHSZKSHS-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573439732 948252204 /nfs/dbraw/zinc/25/22/04/948252204.db2.gz QNKAWYNHSZKSHS-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573439732 948252191 /nfs/dbraw/zinc/25/21/91/948252191.db2.gz QNKAWYNHSZKSHS-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573439733 948251999 /nfs/dbraw/zinc/25/19/99/948251999.db2.gz QNKAWYNHSZKSHS-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573439733 948251989 /nfs/dbraw/zinc/25/19/89/948251989.db2.gz QNKAWYNHSZKSHS-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573439734 948251877 /nfs/dbraw/zinc/25/18/77/948251877.db2.gz QNKAWYNHSZKSHS-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573439734 948251866 /nfs/dbraw/zinc/25/18/66/948251866.db2.gz QNKAWYNHSZKSHS-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573439824 948254145 /nfs/dbraw/zinc/25/41/45/948254145.db2.gz UBCXORTYZYJQSO-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573439824 948254142 /nfs/dbraw/zinc/25/41/42/948254142.db2.gz UBCXORTYZYJQSO-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573439825 948254586 /nfs/dbraw/zinc/25/45/86/948254586.db2.gz UBCXORTYZYJQSO-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573439825 948254575 /nfs/dbraw/zinc/25/45/75/948254575.db2.gz UBCXORTYZYJQSO-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573439899 948255952 /nfs/dbraw/zinc/25/59/52/948255952.db2.gz VRSYMYIVMBYYIH-LLVKDONJSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573439899 948255946 /nfs/dbraw/zinc/25/59/46/948255946.db2.gz VRSYMYIVMBYYIH-LLVKDONJSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573439900 948255815 /nfs/dbraw/zinc/25/58/15/948255815.db2.gz VRSYMYIVMBYYIH-NSHDSACASA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573439900 948255808 /nfs/dbraw/zinc/25/58/08/948255808.db2.gz VRSYMYIVMBYYIH-NSHDSACASA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573440857 948260021 /nfs/dbraw/zinc/26/00/21/948260021.db2.gz AIMCQBGDFUMBJR-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573440857 948260012 /nfs/dbraw/zinc/26/00/12/948260012.db2.gz AIMCQBGDFUMBJR-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573440858 948261837 /nfs/dbraw/zinc/26/18/37/948261837.db2.gz AIMCQBGDFUMBJR-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573440858 948261828 /nfs/dbraw/zinc/26/18/28/948261828.db2.gz AIMCQBGDFUMBJR-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573440891 948261235 /nfs/dbraw/zinc/26/12/35/948261235.db2.gz BDORFBGBIHFYAE-IINYFYTJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573440891 948261231 /nfs/dbraw/zinc/26/12/31/948261231.db2.gz BDORFBGBIHFYAE-IINYFYTJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573440892 948260724 /nfs/dbraw/zinc/26/07/24/948260724.db2.gz BDORFBGBIHFYAE-QMTHXVAHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573440892 948260715 /nfs/dbraw/zinc/26/07/15/948260715.db2.gz BDORFBGBIHFYAE-QMTHXVAHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573441038 948262499 /nfs/dbraw/zinc/26/24/99/948262499.db2.gz CUCOOXBEVLMZPJ-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573441038 948262487 /nfs/dbraw/zinc/26/24/87/948262487.db2.gz CUCOOXBEVLMZPJ-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573441039 948263898 /nfs/dbraw/zinc/26/38/98/948263898.db2.gz CUCOOXBEVLMZPJ-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573441039 948263893 /nfs/dbraw/zinc/26/38/93/948263893.db2.gz CUCOOXBEVLMZPJ-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573441424 948269904 /nfs/dbraw/zinc/26/99/04/948269904.db2.gz IHRBCWKIPXBZCY-IINYFYTJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573441424 948269893 /nfs/dbraw/zinc/26/98/93/948269893.db2.gz IHRBCWKIPXBZCY-IINYFYTJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573441425 948269064 /nfs/dbraw/zinc/26/90/64/948269064.db2.gz IHRBCWKIPXBZCY-QMTHXVAHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573441425 948269057 /nfs/dbraw/zinc/26/90/57/948269057.db2.gz IHRBCWKIPXBZCY-QMTHXVAHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H](N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2=O)C1 ZINC001573441734 948274499 /nfs/dbraw/zinc/27/44/99/948274499.db2.gz AHOJDIVQNRKECV-GFCCVEGCSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@@H](N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2=O)C1 ZINC001573441734 948274488 /nfs/dbraw/zinc/27/44/88/948274488.db2.gz AHOJDIVQNRKECV-GFCCVEGCSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@H](N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2=O)C1 ZINC001573441735 948274980 /nfs/dbraw/zinc/27/49/80/948274980.db2.gz AHOJDIVQNRKECV-LBPRGKRZSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@H](N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2=O)C1 ZINC001573441735 948274970 /nfs/dbraw/zinc/27/49/70/948274970.db2.gz AHOJDIVQNRKECV-LBPRGKRZSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573441845 948280247 /nfs/dbraw/zinc/28/02/47/948280247.db2.gz OBGFYDBPBZRVMZ-GFCCVEGCSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573441845 948280237 /nfs/dbraw/zinc/28/02/37/948280237.db2.gz OBGFYDBPBZRVMZ-GFCCVEGCSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573441846 948278566 /nfs/dbraw/zinc/27/85/66/948278566.db2.gz OBGFYDBPBZRVMZ-LBPRGKRZSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573441846 948278556 /nfs/dbraw/zinc/27/85/56/948278556.db2.gz OBGFYDBPBZRVMZ-LBPRGKRZSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573442029 948283703 /nfs/dbraw/zinc/28/37/03/948283703.db2.gz FREATCGXYMMEHX-GXTWGEPZSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573442029 948283694 /nfs/dbraw/zinc/28/36/94/948283694.db2.gz FREATCGXYMMEHX-GXTWGEPZSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573442030 948283908 /nfs/dbraw/zinc/28/39/08/948283908.db2.gz FREATCGXYMMEHX-JSGCOSHPSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573442030 948283901 /nfs/dbraw/zinc/28/39/01/948283901.db2.gz FREATCGXYMMEHX-JSGCOSHPSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573442031 948283780 /nfs/dbraw/zinc/28/37/80/948283780.db2.gz FREATCGXYMMEHX-OCCSQVGLSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573442031 948283773 /nfs/dbraw/zinc/28/37/73/948283773.db2.gz FREATCGXYMMEHX-OCCSQVGLSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573442032 948283250 /nfs/dbraw/zinc/28/32/50/948283250.db2.gz FREATCGXYMMEHX-TZMCWYRMSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573442032 948283236 /nfs/dbraw/zinc/28/32/36/948283236.db2.gz FREATCGXYMMEHX-TZMCWYRMSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573442373 948291899 /nfs/dbraw/zinc/29/18/99/948291899.db2.gz HRYOVVNETOBTCS-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573442373 948291892 /nfs/dbraw/zinc/29/18/92/948291892.db2.gz HRYOVVNETOBTCS-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573442376 948291069 /nfs/dbraw/zinc/29/10/69/948291069.db2.gz HRYOVVNETOBTCS-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573442376 948291056 /nfs/dbraw/zinc/29/10/56/948291056.db2.gz HRYOVVNETOBTCS-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573442378 948292045 /nfs/dbraw/zinc/29/20/45/948292045.db2.gz HRYOVVNETOBTCS-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573442378 948292035 /nfs/dbraw/zinc/29/20/35/948292035.db2.gz HRYOVVNETOBTCS-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573442380 948290206 /nfs/dbraw/zinc/29/02/06/948290206.db2.gz HRYOVVNETOBTCS-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573442380 948290199 /nfs/dbraw/zinc/29/01/99/948290199.db2.gz HRYOVVNETOBTCS-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](O)CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573442503 948293718 /nfs/dbraw/zinc/29/37/18/948293718.db2.gz IJIXUTIDVLELAW-CHWSQXEVSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](O)CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573442503 948293709 /nfs/dbraw/zinc/29/37/09/948293709.db2.gz IJIXUTIDVLELAW-CHWSQXEVSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573442505 948292651 /nfs/dbraw/zinc/29/26/51/948292651.db2.gz IJIXUTIDVLELAW-OLZOCXBDSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573442505 948292642 /nfs/dbraw/zinc/29/26/42/948292642.db2.gz IJIXUTIDVLELAW-OLZOCXBDSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](O)CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573442507 948293006 /nfs/dbraw/zinc/29/30/06/948293006.db2.gz IJIXUTIDVLELAW-QWHCGFSZSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](O)CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573442507 948292994 /nfs/dbraw/zinc/29/29/94/948292994.db2.gz IJIXUTIDVLELAW-QWHCGFSZSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](O)CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573442509 948294887 /nfs/dbraw/zinc/29/48/87/948294887.db2.gz IJIXUTIDVLELAW-STQMWFEESA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](O)CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573442509 948294876 /nfs/dbraw/zinc/29/48/76/948294876.db2.gz IJIXUTIDVLELAW-STQMWFEESA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2=O)C1 ZINC001573443073 948303080 /nfs/dbraw/zinc/30/30/80/948303080.db2.gz LTGFGHFTUCWLPS-CYBMUJFWSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@@H](N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2=O)C1 ZINC001573443073 948303075 /nfs/dbraw/zinc/30/30/75/948303075.db2.gz LTGFGHFTUCWLPS-CYBMUJFWSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2=O)C1 ZINC001573443075 948303417 /nfs/dbraw/zinc/30/34/17/948303417.db2.gz LTGFGHFTUCWLPS-ZDUSSCGKSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@H](N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2=O)C1 ZINC001573443075 948303411 /nfs/dbraw/zinc/30/34/11/948303411.db2.gz LTGFGHFTUCWLPS-ZDUSSCGKSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2=O)C1 ZINC001573443471 948308305 /nfs/dbraw/zinc/30/83/05/948308305.db2.gz OBSPSOASQCAJPR-CYBMUJFWSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2=O)C1 ZINC001573443471 948308300 /nfs/dbraw/zinc/30/83/00/948308300.db2.gz OBSPSOASQCAJPR-CYBMUJFWSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@H](N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2=O)C1 ZINC001573443472 948307393 /nfs/dbraw/zinc/30/73/93/948307393.db2.gz OBSPSOASQCAJPR-ZDUSSCGKSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@H](N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2=O)C1 ZINC001573443472 948307384 /nfs/dbraw/zinc/30/73/84/948307384.db2.gz OBSPSOASQCAJPR-ZDUSSCGKSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@@H](n2cc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)nn2)C1 ZINC001573443480 948307872 /nfs/dbraw/zinc/30/78/72/948307872.db2.gz OJPLCUXFAISBJJ-CYBMUJFWSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N1CCC[C@@H](n2cc(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)nn2)C1 ZINC001573443480 948307864 /nfs/dbraw/zinc/30/78/64/948307864.db2.gz OJPLCUXFAISBJJ-CYBMUJFWSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N1CCC[C@H](n2cc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)nn2)C1 ZINC001573443481 948308266 /nfs/dbraw/zinc/30/82/66/948308266.db2.gz OJPLCUXFAISBJJ-ZDUSSCGKSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N1CCC[C@H](n2cc(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)nn2)C1 ZINC001573443481 948308254 /nfs/dbraw/zinc/30/82/54/948308254.db2.gz OJPLCUXFAISBJJ-ZDUSSCGKSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N1CCC[C@@H](n2cc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)nn2)C1 ZINC001573443882 948309501 /nfs/dbraw/zinc/30/95/01/948309501.db2.gz QEWRIQSDHFVHAN-GFCCVEGCSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N1CCC[C@@H](n2cc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)nn2)C1 ZINC001573443882 948309487 /nfs/dbraw/zinc/30/94/87/948309487.db2.gz QEWRIQSDHFVHAN-GFCCVEGCSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N1CCC[C@H](n2cc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)nn2)C1 ZINC001573443883 948310581 /nfs/dbraw/zinc/31/05/81/948310581.db2.gz QEWRIQSDHFVHAN-LBPRGKRZSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N1CCC[C@H](n2cc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)nn2)C1 ZINC001573443883 948310572 /nfs/dbraw/zinc/31/05/72/948310572.db2.gz QEWRIQSDHFVHAN-LBPRGKRZSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573444660 948317753 /nfs/dbraw/zinc/31/77/53/948317753.db2.gz VGCHUVDZQRRYJP-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573444660 948317748 /nfs/dbraw/zinc/31/77/48/948317748.db2.gz VGCHUVDZQRRYJP-GFCCVEGCSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573444661 948316988 /nfs/dbraw/zinc/31/69/88/948316988.db2.gz VGCHUVDZQRRYJP-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573444661 948316981 /nfs/dbraw/zinc/31/69/81/948316981.db2.gz VGCHUVDZQRRYJP-LBPRGKRZSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573444662 948317354 /nfs/dbraw/zinc/31/73/54/948317354.db2.gz VHMFJPPXPAPNIC-LLVKDONJSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573444662 948317346 /nfs/dbraw/zinc/31/73/46/948317346.db2.gz VHMFJPPXPAPNIC-LLVKDONJSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573444664 948317114 /nfs/dbraw/zinc/31/71/14/948317114.db2.gz VHMFJPPXPAPNIC-NSHDSACASA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573444664 948317109 /nfs/dbraw/zinc/31/71/09/948317109.db2.gz VHMFJPPXPAPNIC-NSHDSACASA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573445025 948319269 /nfs/dbraw/zinc/31/92/69/948319269.db2.gz WXFWBGUOQFBQHR-CHWSQXEVSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](CO)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573445025 948319264 /nfs/dbraw/zinc/31/92/64/948319264.db2.gz WXFWBGUOQFBQHR-CHWSQXEVSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573445026 948320569 /nfs/dbraw/zinc/32/05/69/948320569.db2.gz WXFWBGUOQFBQHR-OLZOCXBDSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573445026 948320559 /nfs/dbraw/zinc/32/05/59/948320559.db2.gz WXFWBGUOQFBQHR-OLZOCXBDSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573445027 948319123 /nfs/dbraw/zinc/31/91/23/948319123.db2.gz WXFWBGUOQFBQHR-QWHCGFSZSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](CO)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573445027 948319116 /nfs/dbraw/zinc/31/91/16/948319116.db2.gz WXFWBGUOQFBQHR-QWHCGFSZSA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573445028 948319281 /nfs/dbraw/zinc/31/92/81/948319281.db2.gz WXFWBGUOQFBQHR-STQMWFEESA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573445028 948319276 /nfs/dbraw/zinc/31/92/76/948319276.db2.gz WXFWBGUOQFBQHR-STQMWFEESA-N -1 3 388.432 -0.591 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573445073 948319252 /nfs/dbraw/zinc/31/92/52/948319252.db2.gz XXTDDIMGYSOAKN-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573445073 948319244 /nfs/dbraw/zinc/31/92/44/948319244.db2.gz XXTDDIMGYSOAKN-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573445074 948320851 /nfs/dbraw/zinc/32/08/51/948320851.db2.gz XXTDDIMGYSOAKN-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573445074 948320846 /nfs/dbraw/zinc/32/08/46/948320846.db2.gz XXTDDIMGYSOAKN-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573445075 948320713 /nfs/dbraw/zinc/32/07/13/948320713.db2.gz XXTDDIMGYSOAKN-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573445075 948320707 /nfs/dbraw/zinc/32/07/07/948320707.db2.gz XXTDDIMGYSOAKN-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573445076 948319138 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CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573446271 948327772 /nfs/dbraw/zinc/32/77/72/948327772.db2.gz CJUILYDHMBRMAD-TZMCWYRMSA-N -1 3 388.432 -0.530 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573446271 948327763 /nfs/dbraw/zinc/32/77/63/948327763.db2.gz CJUILYDHMBRMAD-TZMCWYRMSA-N -1 3 388.432 -0.530 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573446283 948326098 /nfs/dbraw/zinc/32/60/98/948326098.db2.gz COVRIEDMBSVNCP-CQSZACIVSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573446283 948326089 /nfs/dbraw/zinc/32/60/89/948326089.db2.gz COVRIEDMBSVNCP-CQSZACIVSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573446478 948328992 /nfs/dbraw/zinc/32/89/92/948328992.db2.gz HPFQPNYQKPYUGA-CQSZACIVSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573446478 948328986 /nfs/dbraw/zinc/32/89/86/948328986.db2.gz HPFQPNYQKPYUGA-CQSZACIVSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1 ZINC001573446479 948330749 /nfs/dbraw/zinc/33/07/49/948330749.db2.gz HREXNMSZTLNCDS-CQSZACIVSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1 ZINC001573446479 948330742 /nfs/dbraw/zinc/33/07/42/948330742.db2.gz HREXNMSZTLNCDS-CQSZACIVSA-N -1 3 388.432 -0.495 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573446483 948331279 /nfs/dbraw/zinc/33/12/79/948331279.db2.gz HRTCEBOGNAKGSW-IINYFYTJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573446483 948331274 /nfs/dbraw/zinc/33/12/74/948331274.db2.gz HRTCEBOGNAKGSW-IINYFYTJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573446485 948331063 /nfs/dbraw/zinc/33/10/63/948331063.db2.gz HRTCEBOGNAKGSW-QMTHXVAHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573446485 948331052 /nfs/dbraw/zinc/33/10/52/948331052.db2.gz HRTCEBOGNAKGSW-QMTHXVAHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573446487 948331343 /nfs/dbraw/zinc/33/13/43/948331343.db2.gz HZZXHKWNGIMMKN-CYBMUJFWSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573446487 948331336 /nfs/dbraw/zinc/33/13/36/948331336.db2.gz HZZXHKWNGIMMKN-CYBMUJFWSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573446571 948331420 /nfs/dbraw/zinc/33/14/20/948331420.db2.gz JHRVBRPLUQIECZ-IINYFYTJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573446571 948331411 /nfs/dbraw/zinc/33/14/11/948331411.db2.gz JHRVBRPLUQIECZ-IINYFYTJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573446572 948330971 /nfs/dbraw/zinc/33/09/71/948330971.db2.gz JHRVBRPLUQIECZ-QMTHXVAHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573446572 948330961 /nfs/dbraw/zinc/33/09/61/948330961.db2.gz JHRVBRPLUQIECZ-QMTHXVAHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573446600 948331857 /nfs/dbraw/zinc/33/18/57/948331857.db2.gz JZRBBARFVQQNSC-BXUZGUMPSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573446600 948331849 /nfs/dbraw/zinc/33/18/49/948331849.db2.gz JZRBBARFVQQNSC-BXUZGUMPSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573446601 948332017 /nfs/dbraw/zinc/33/20/17/948332017.db2.gz JZRBBARFVQQNSC-SMDDNHRTSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573446601 948332007 /nfs/dbraw/zinc/33/20/07/948332007.db2.gz JZRBBARFVQQNSC-SMDDNHRTSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573446628 948333533 /nfs/dbraw/zinc/33/35/33/948333533.db2.gz KTMVJFYFEBAHAP-CQSZACIVSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573446628 948333525 /nfs/dbraw/zinc/33/35/25/948333525.db2.gz KTMVJFYFEBAHAP-CQSZACIVSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573446640 948333693 /nfs/dbraw/zinc/33/36/93/948333693.db2.gz KYXOCABZUMEQES-CYBMUJFWSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573446640 948333685 /nfs/dbraw/zinc/33/36/85/948333685.db2.gz KYXOCABZUMEQES-CYBMUJFWSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573446641 948334292 /nfs/dbraw/zinc/33/42/92/948334292.db2.gz KZEMHFDHQDCJPC-GXTWGEPZSA-N -1 3 388.432 -0.530 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573446641 948334282 /nfs/dbraw/zinc/33/42/82/948334282.db2.gz KZEMHFDHQDCJPC-GXTWGEPZSA-N -1 3 388.432 -0.530 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573446642 948333620 /nfs/dbraw/zinc/33/36/20/948333620.db2.gz KZEMHFDHQDCJPC-TZMCWYRMSA-N -1 3 388.432 -0.530 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573446642 948333617 /nfs/dbraw/zinc/33/36/17/948333617.db2.gz KZEMHFDHQDCJPC-TZMCWYRMSA-N -1 3 388.432 -0.530 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573446653 948334108 /nfs/dbraw/zinc/33/41/08/948334108.db2.gz LIOASYJHRLOXOS-IINYFYTJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573446653 948334102 /nfs/dbraw/zinc/33/41/02/948334102.db2.gz LIOASYJHRLOXOS-IINYFYTJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573446654 948333330 /nfs/dbraw/zinc/33/33/30/948333330.db2.gz LIOASYJHRLOXOS-QMTHXVAHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573446654 948333327 /nfs/dbraw/zinc/33/33/27/948333327.db2.gz LIOASYJHRLOXOS-QMTHXVAHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573446667 948334367 /nfs/dbraw/zinc/33/43/67/948334367.db2.gz LSVWHRQEGFMXBO-GXTWGEPZSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573446667 948334357 /nfs/dbraw/zinc/33/43/57/948334357.db2.gz LSVWHRQEGFMXBO-GXTWGEPZSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573446668 948333556 /nfs/dbraw/zinc/33/35/56/948333556.db2.gz LSVWHRQEGFMXBO-TZMCWYRMSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573446668 948333549 /nfs/dbraw/zinc/33/35/49/948333549.db2.gz LSVWHRQEGFMXBO-TZMCWYRMSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573446669 948333398 /nfs/dbraw/zinc/33/33/98/948333398.db2.gz LTIHQXCOWGJCRE-CQSZACIVSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573446669 948333393 /nfs/dbraw/zinc/33/33/93/948333393.db2.gz LTIHQXCOWGJCRE-CQSZACIVSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573446670 948333483 /nfs/dbraw/zinc/33/34/83/948333483.db2.gz LTIUUKLUGWCVRA-IINYFYTJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573446670 948333475 /nfs/dbraw/zinc/33/34/75/948333475.db2.gz LTIUUKLUGWCVRA-IINYFYTJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573446671 948333864 /nfs/dbraw/zinc/33/38/64/948333864.db2.gz LTIUUKLUGWCVRA-QMTHXVAHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573446671 948333854 /nfs/dbraw/zinc/33/38/54/948333854.db2.gz LTIUUKLUGWCVRA-QMTHXVAHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573446699 948336644 /nfs/dbraw/zinc/33/66/44/948336644.db2.gz NBZRQYVJGJAXIB-CQSZACIVSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573446699 948336632 /nfs/dbraw/zinc/33/66/32/948336632.db2.gz NBZRQYVJGJAXIB-CQSZACIVSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573446702 948335497 /nfs/dbraw/zinc/33/54/97/948335497.db2.gz NHHFNGFOEARSTK-IINYFYTJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573446702 948335487 /nfs/dbraw/zinc/33/54/87/948335487.db2.gz NHHFNGFOEARSTK-IINYFYTJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573446703 948335413 /nfs/dbraw/zinc/33/54/13/948335413.db2.gz NHHFNGFOEARSTK-QMTHXVAHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573446703 948335403 /nfs/dbraw/zinc/33/54/03/948335403.db2.gz NHHFNGFOEARSTK-QMTHXVAHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573446708 948336143 /nfs/dbraw/zinc/33/61/43/948336143.db2.gz NNFJURWCXJCXPF-CQSZACIVSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573446708 948336134 /nfs/dbraw/zinc/33/61/34/948336134.db2.gz NNFJURWCXJCXPF-CQSZACIVSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573446724 948335701 /nfs/dbraw/zinc/33/57/01/948335701.db2.gz OFBZPBTWCAWFJT-CQSZACIVSA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573446724 948335695 /nfs/dbraw/zinc/33/56/95/948335695.db2.gz OFBZPBTWCAWFJT-CQSZACIVSA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573446728 948335520 /nfs/dbraw/zinc/33/55/20/948335520.db2.gz ONMYPBVRDDCRMP-IINYFYTJSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573446728 948335510 /nfs/dbraw/zinc/33/55/10/948335510.db2.gz ONMYPBVRDDCRMP-IINYFYTJSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573446729 948335281 /nfs/dbraw/zinc/33/52/81/948335281.db2.gz ONMYPBVRDDCRMP-QMTHXVAHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573446729 948335271 /nfs/dbraw/zinc/33/52/71/948335271.db2.gz ONMYPBVRDDCRMP-QMTHXVAHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573446736 948336268 /nfs/dbraw/zinc/33/62/68/948336268.db2.gz OTPWXLHQUVHBKG-IINYFYTJSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573446736 948336262 /nfs/dbraw/zinc/33/62/62/948336262.db2.gz OTPWXLHQUVHBKG-IINYFYTJSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573446737 948336376 /nfs/dbraw/zinc/33/63/76/948336376.db2.gz OTPWXLHQUVHBKG-QMTHXVAHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573446737 948336366 /nfs/dbraw/zinc/33/63/66/948336366.db2.gz OTPWXLHQUVHBKG-QMTHXVAHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573446824 948336246 /nfs/dbraw/zinc/33/62/46/948336246.db2.gz OZPJLLDANKQQNQ-IINYFYTJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573446824 948336235 /nfs/dbraw/zinc/33/62/35/948336235.db2.gz OZPJLLDANKQQNQ-IINYFYTJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573446825 948336716 /nfs/dbraw/zinc/33/67/16/948336716.db2.gz OZPJLLDANKQQNQ-QMTHXVAHSA-N -1 3 388.432 -0.312 20 0 GBADHM 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CC(=O)N1CCC[C@@H]1C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573446889 948338103 /nfs/dbraw/zinc/33/81/03/948338103.db2.gz QNCBGMPPAQIPFQ-CQSZACIVSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573446911 948339067 /nfs/dbraw/zinc/33/90/67/948339067.db2.gz ROCYPFXTWTZJET-BXUZGUMPSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573446911 948339060 /nfs/dbraw/zinc/33/90/60/948339060.db2.gz ROCYPFXTWTZJET-BXUZGUMPSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573446912 948337549 /nfs/dbraw/zinc/33/75/49/948337549.db2.gz ROCYPFXTWTZJET-SMDDNHRTSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573446912 948337542 /nfs/dbraw/zinc/33/75/42/948337542.db2.gz ROCYPFXTWTZJET-SMDDNHRTSA-N -1 3 386.416 -0.464 20 0 GBADHM 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ZINC001573446916 948338168 /nfs/dbraw/zinc/33/81/68/948338168.db2.gz RTXHHRPTPOBTEE-GXTWGEPZSA-N -1 3 388.432 -0.530 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573446917 948338517 /nfs/dbraw/zinc/33/85/17/948338517.db2.gz RTXHHRPTPOBTEE-TZMCWYRMSA-N -1 3 388.432 -0.530 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](CO)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573446917 948338506 /nfs/dbraw/zinc/33/85/06/948338506.db2.gz RTXHHRPTPOBTEE-TZMCWYRMSA-N -1 3 388.432 -0.530 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573446924 948338822 /nfs/dbraw/zinc/33/88/22/948338822.db2.gz RYMYRCPNUTVXOW-CYBMUJFWSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573446924 948338811 /nfs/dbraw/zinc/33/88/11/948338811.db2.gz RYMYRCPNUTVXOW-CYBMUJFWSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573446931 948339111 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SHYZGYQYPHFFNB-GXTWGEPZSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573447039 948338762 /nfs/dbraw/zinc/33/87/62/948338762.db2.gz SHYZGYQYPHFFNB-TZMCWYRMSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573447039 948338753 /nfs/dbraw/zinc/33/87/53/948338753.db2.gz SHYZGYQYPHFFNB-TZMCWYRMSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573447043 948340319 /nfs/dbraw/zinc/34/03/19/948340319.db2.gz SNDSLQNCAKRDSS-CQSZACIVSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573447043 948340310 /nfs/dbraw/zinc/34/03/10/948340310.db2.gz SNDSLQNCAKRDSS-CQSZACIVSA-N -1 3 386.416 -0.510 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573447048 948341468 /nfs/dbraw/zinc/34/14/68/948341468.db2.gz SRJVZFHMPFSENX-DZGCQCFKSA-N -1 3 388.432 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CC(=O)N1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573447813 945803447 /nfs/dbraw/zinc/80/34/47/945803447.db2.gz COVRIEDMBSVNCP-AWEZNQCLSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573447813 945803438 /nfs/dbraw/zinc/80/34/38/945803438.db2.gz COVRIEDMBSVNCP-AWEZNQCLSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573447814 945804742 /nfs/dbraw/zinc/80/47/42/945804742.db2.gz CVLJXTPXWBMDRN-BXUZGUMPSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573447814 945804731 /nfs/dbraw/zinc/80/47/31/945804731.db2.gz CVLJXTPXWBMDRN-BXUZGUMPSA-N -1 3 386.416 -0.464 20 0 GBADHM CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573447815 945803350 /nfs/dbraw/zinc/80/33/50/945803350.db2.gz CVLJXTPXWBMDRN-SMDDNHRTSA-N -1 3 386.416 -0.464 20 0 GBADHM 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HVBWWKPLOMHTFY-UHFFFAOYSA-N -1 3 387.404 -0.536 20 0 GBADHM CC(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573448325 945806221 /nfs/dbraw/zinc/80/62/21/945806221.db2.gz IHRBCWKIPXBZCY-HZMBPMFUSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573448325 945806212 /nfs/dbraw/zinc/80/62/12/945806212.db2.gz IHRBCWKIPXBZCY-HZMBPMFUSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573448328 945807164 /nfs/dbraw/zinc/80/71/64/945807164.db2.gz IHRBCWKIPXBZCY-YGRLFVJLSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573448328 945807157 /nfs/dbraw/zinc/80/71/57/945807157.db2.gz IHRBCWKIPXBZCY-YGRLFVJLSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N1CCN(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)CC1 ZINC001573448353 945807534 /nfs/dbraw/zinc/80/75/34/945807534.db2.gz IUNULYXWOQKOBN-UHFFFAOYSA-N -1 3 385.432 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CC(=O)N[C@@](C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573452446 945850891 /nfs/dbraw/zinc/85/08/91/945850891.db2.gz FLRCWFZGDRBAGK-SUMWQHHRSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573452446 945850879 /nfs/dbraw/zinc/85/08/79/945850879.db2.gz FLRCWFZGDRBAGK-SUMWQHHRSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)C ZINC001573452675 945853191 /nfs/dbraw/zinc/85/31/91/945853191.db2.gz HEMURZAKDBZWMR-KRWDZBQOSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)C ZINC001573452675 945853178 /nfs/dbraw/zinc/85/31/78/945853178.db2.gz HEMURZAKDBZWMR-KRWDZBQOSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)C ZINC001573452677 945852384 /nfs/dbraw/zinc/85/23/84/945852384.db2.gz HEMURZAKDBZWMR-QGZVFWFLSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)C ZINC001573452677 945852374 /nfs/dbraw/zinc/85/23/74/945852374.db2.gz HEMURZAKDBZWMR-QGZVFWFLSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573452687 945851446 /nfs/dbraw/zinc/85/14/46/945851446.db2.gz HERLQITXTJFVGN-BMLIUANNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573452687 945851440 /nfs/dbraw/zinc/85/14/40/945851440.db2.gz HERLQITXTJFVGN-BMLIUANNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573452689 945854251 /nfs/dbraw/zinc/85/42/51/945854251.db2.gz HERLQITXTJFVGN-BTDLBPIBSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573452689 945854240 /nfs/dbraw/zinc/85/42/40/945854240.db2.gz HERLQITXTJFVGN-BTDLBPIBSA-N -1 3 390.448 -0.020 20 0 GBADHM 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CC(=O)N[C@](C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573452746 945853812 /nfs/dbraw/zinc/85/38/12/945853812.db2.gz HMBDGPZCTFYLRI-PXAZEXFGSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573452749 945854464 /nfs/dbraw/zinc/85/44/64/945854464.db2.gz HMBDGPZCTFYLRI-SJCJKPOMSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573452749 945854450 /nfs/dbraw/zinc/85/44/50/945854450.db2.gz HMBDGPZCTFYLRI-SJCJKPOMSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573452751 945852831 /nfs/dbraw/zinc/85/28/31/945852831.db2.gz HMBDGPZCTFYLRI-SJKOYZFVSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573452751 945852814 /nfs/dbraw/zinc/85/28/14/945852814.db2.gz HMBDGPZCTFYLRI-SJKOYZFVSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573452754 945851906 /nfs/dbraw/zinc/85/19/06/945851906.db2.gz HMBDGPZCTFYLRI-YVEFUNNKSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573452754 945851899 /nfs/dbraw/zinc/85/18/99/945851899.db2.gz HMBDGPZCTFYLRI-YVEFUNNKSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573453301 945859458 /nfs/dbraw/zinc/85/94/58/945859458.db2.gz LBSRDNIUCKDRMM-CXAGYDPISA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573453301 945859443 /nfs/dbraw/zinc/85/94/43/945859443.db2.gz LBSRDNIUCKDRMM-CXAGYDPISA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573453302 945860639 /nfs/dbraw/zinc/86/06/39/945860639.db2.gz LBSRDNIUCKDRMM-DYVFJYSZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573453302 945860633 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CC(=O)N[C@@](C)(C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573454565 945877565 /nfs/dbraw/zinc/87/75/65/945877565.db2.gz ZMABEOWGVVKECF-QGZVFWFLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573455210 945880168 /nfs/dbraw/zinc/88/01/68/945880168.db2.gz ADABAXLXCDZVPS-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573455210 945880154 /nfs/dbraw/zinc/88/01/54/945880154.db2.gz ADABAXLXCDZVPS-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573455215 945880097 /nfs/dbraw/zinc/88/00/97/945880097.db2.gz ADABAXLXCDZVPS-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573455215 945880083 /nfs/dbraw/zinc/88/00/83/945880083.db2.gz ADABAXLXCDZVPS-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573455241 945877931 /nfs/dbraw/zinc/87/79/31/945877931.db2.gz AHNWEITVBLAPHH-GFCCVEGCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573455241 945877917 /nfs/dbraw/zinc/87/79/17/945877917.db2.gz AHNWEITVBLAPHH-GFCCVEGCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573455242 945878273 /nfs/dbraw/zinc/87/82/73/945878273.db2.gz AHNWEITVBLAPHH-LBPRGKRZSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573455242 945878265 /nfs/dbraw/zinc/87/82/65/945878265.db2.gz AHNWEITVBLAPHH-LBPRGKRZSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573455245 945877466 /nfs/dbraw/zinc/87/74/66/945877466.db2.gz AKOLNQCIZHOKGO-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573455245 945877453 /nfs/dbraw/zinc/87/74/53/945877453.db2.gz AKOLNQCIZHOKGO-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573455246 945878497 /nfs/dbraw/zinc/87/84/97/945878497.db2.gz AKOLNQCIZHOKGO-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573455246 945878485 /nfs/dbraw/zinc/87/84/85/945878485.db2.gz AKOLNQCIZHOKGO-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573455265 945877766 /nfs/dbraw/zinc/87/77/66/945877766.db2.gz BCKATDVUHOYISR-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573455265 945877751 /nfs/dbraw/zinc/87/77/51/945877751.db2.gz BCKATDVUHOYISR-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC([C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573455266 945877619 /nfs/dbraw/zinc/87/76/19/945877619.db2.gz BCKATDVUHOYISR-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC([C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573455266 945877609 /nfs/dbraw/zinc/87/76/09/945877609.db2.gz BCKATDVUHOYISR-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573455273 945879203 /nfs/dbraw/zinc/87/92/03/945879203.db2.gz BGFFLOMJXNPKMC-BMLIUANNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573455273 945879188 /nfs/dbraw/zinc/87/91/88/945879188.db2.gz BGFFLOMJXNPKMC-BMLIUANNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573455274 945878467 /nfs/dbraw/zinc/87/84/67/945878467.db2.gz BGFFLOMJXNPKMC-BTDLBPIBSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573455274 945878457 /nfs/dbraw/zinc/87/84/57/945878457.db2.gz BGFFLOMJXNPKMC-BTDLBPIBSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573455275 945877324 /nfs/dbraw/zinc/87/73/24/945877324.db2.gz BGFFLOMJXNPKMC-DYZYQPBXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573455275 945877307 /nfs/dbraw/zinc/87/73/07/945877307.db2.gz BGFFLOMJXNPKMC-DYZYQPBXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573455276 945878695 /nfs/dbraw/zinc/87/86/95/945878695.db2.gz BGFFLOMJXNPKMC-QGHHPUGFSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573455276 945878682 /nfs/dbraw/zinc/87/86/82/945878682.db2.gz BGFFLOMJXNPKMC-QGHHPUGFSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573455315 945882011 /nfs/dbraw/zinc/88/20/11/945882011.db2.gz CPBYPWBMHRNYSM-UHFFFAOYSA-N -1 3 376.421 -0.591 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573455315 945882001 /nfs/dbraw/zinc/88/20/01/945882001.db2.gz CPBYPWBMHRNYSM-UHFFFAOYSA-N -1 3 376.421 -0.591 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573455325 945881341 /nfs/dbraw/zinc/88/13/41/945881341.db2.gz DBZUFNOQBNQXTP-UHFFFAOYSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573455325 945881331 /nfs/dbraw/zinc/88/13/31/945881331.db2.gz DBZUFNOQBNQXTP-UHFFFAOYSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573455537 945882906 /nfs/dbraw/zinc/88/29/06/945882906.db2.gz DSDWDMRDSBLEMW-UHFFFAOYSA-N -1 3 376.421 -0.591 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573455537 945882889 /nfs/dbraw/zinc/88/28/89/945882889.db2.gz DSDWDMRDSBLEMW-UHFFFAOYSA-N -1 3 376.421 -0.591 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573455563 945884372 /nfs/dbraw/zinc/88/43/72/945884372.db2.gz FCHUIRKYRNFAKC-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573455563 945884352 /nfs/dbraw/zinc/88/43/52/945884352.db2.gz FCHUIRKYRNFAKC-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573455564 945885111 /nfs/dbraw/zinc/88/51/11/945885111.db2.gz FCHUIRKYRNFAKC-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573455564 945885107 /nfs/dbraw/zinc/88/51/07/945885107.db2.gz FCHUIRKYRNFAKC-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573455587 945883908 /nfs/dbraw/zinc/88/39/08/945883908.db2.gz FISHDTHMYLNWTC-UHFFFAOYSA-N -1 3 390.448 -0.282 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573455587 945883899 /nfs/dbraw/zinc/88/38/99/945883899.db2.gz FISHDTHMYLNWTC-UHFFFAOYSA-N -1 3 390.448 -0.282 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573455634 945884564 /nfs/dbraw/zinc/88/45/64/945884564.db2.gz FTUPPXBHRFSPCM-LLVKDONJSA-N -1 3 376.421 -0.592 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573455634 945884553 /nfs/dbraw/zinc/88/45/53/945884553.db2.gz FTUPPXBHRFSPCM-LLVKDONJSA-N -1 3 376.421 -0.592 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573455639 945886305 /nfs/dbraw/zinc/88/63/05/945886305.db2.gz FTUPPXBHRFSPCM-NSHDSACASA-N -1 3 376.421 -0.592 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573455639 945886296 /nfs/dbraw/zinc/88/62/96/945886296.db2.gz FTUPPXBHRFSPCM-NSHDSACASA-N -1 3 376.421 -0.592 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573455649 945886125 /nfs/dbraw/zinc/88/61/25/945886125.db2.gz FYKDQOKTFYEZRZ-NOZJJQNGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573455649 945886112 /nfs/dbraw/zinc/88/61/12/945886112.db2.gz FYKDQOKTFYEZRZ-NOZJJQNGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573455651 945885360 /nfs/dbraw/zinc/88/53/60/945885360.db2.gz FYKDQOKTFYEZRZ-RNCFNFMXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573455651 945885347 /nfs/dbraw/zinc/88/53/47/945885347.db2.gz FYKDQOKTFYEZRZ-RNCFNFMXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573455653 945884281 /nfs/dbraw/zinc/88/42/81/945884281.db2.gz FYKDQOKTFYEZRZ-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573455653 945884268 /nfs/dbraw/zinc/88/42/68/945884268.db2.gz FYKDQOKTFYEZRZ-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573455655 945885329 /nfs/dbraw/zinc/88/53/29/945885329.db2.gz FYKDQOKTFYEZRZ-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573455655 945885315 /nfs/dbraw/zinc/88/53/15/945885315.db2.gz FYKDQOKTFYEZRZ-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573455662 945886091 /nfs/dbraw/zinc/88/60/91/945886091.db2.gz GBVBVVBIXFFKFZ-LLVKDONJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573455662 945886081 /nfs/dbraw/zinc/88/60/81/945886081.db2.gz GBVBVVBIXFFKFZ-LLVKDONJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573455664 945885016 /nfs/dbraw/zinc/88/50/16/945885016.db2.gz GBVBVVBIXFFKFZ-NSHDSACASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573455664 945885009 /nfs/dbraw/zinc/88/50/09/945885009.db2.gz GBVBVVBIXFFKFZ-NSHDSACASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573455666 945885547 /nfs/dbraw/zinc/88/55/47/945885547.db2.gz GDRGHIUGVAVEDP-CYBMUJFWSA-N -1 3 390.448 -0.568 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573455666 945885534 /nfs/dbraw/zinc/88/55/34/945885534.db2.gz GDRGHIUGVAVEDP-CYBMUJFWSA-N -1 3 390.448 -0.568 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573455668 945884985 /nfs/dbraw/zinc/88/49/85/945884985.db2.gz GDRGHIUGVAVEDP-ZDUSSCGKSA-N -1 3 390.448 -0.568 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573455668 945884973 /nfs/dbraw/zinc/88/49/73/945884973.db2.gz GDRGHIUGVAVEDP-ZDUSSCGKSA-N -1 3 390.448 -0.568 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573455678 945886346 /nfs/dbraw/zinc/88/63/46/945886346.db2.gz GKFRURHEOSCOTR-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573455678 945886336 /nfs/dbraw/zinc/88/63/36/945886336.db2.gz GKFRURHEOSCOTR-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573455680 945884822 /nfs/dbraw/zinc/88/48/22/945884822.db2.gz GKFRURHEOSCOTR-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573455680 945884813 /nfs/dbraw/zinc/88/48/13/945884813.db2.gz GKFRURHEOSCOTR-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573455848 945888531 /nfs/dbraw/zinc/88/85/31/945888531.db2.gz HHGBQFSQIPPSLA-GFCCVEGCSA-N -1 3 390.448 -0.284 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573455848 945888523 /nfs/dbraw/zinc/88/85/23/945888523.db2.gz HHGBQFSQIPPSLA-GFCCVEGCSA-N -1 3 390.448 -0.284 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573455849 945888401 /nfs/dbraw/zinc/88/84/01/945888401.db2.gz HHGBQFSQIPPSLA-LBPRGKRZSA-N -1 3 390.448 -0.284 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573455849 945888394 /nfs/dbraw/zinc/88/83/94/945888394.db2.gz HHGBQFSQIPPSLA-LBPRGKRZSA-N -1 3 390.448 -0.284 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001573455855 945888145 /nfs/dbraw/zinc/88/81/45/945888145.db2.gz HKWBQJSIXMWDLU-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001573455855 945888133 /nfs/dbraw/zinc/88/81/33/945888133.db2.gz HKWBQJSIXMWDLU-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCO)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573455902 945888055 /nfs/dbraw/zinc/88/80/55/945888055.db2.gz HUQIHMBLFCADDH-UHFFFAOYSA-N -1 3 390.448 -0.282 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCO)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573455902 945888039 /nfs/dbraw/zinc/88/80/39/945888039.db2.gz HUQIHMBLFCADDH-UHFFFAOYSA-N -1 3 390.448 -0.282 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573455942 945888331 /nfs/dbraw/zinc/88/83/31/945888331.db2.gz HZORCXIWUPRLBM-BMLIUANNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573455942 945888323 /nfs/dbraw/zinc/88/83/23/945888323.db2.gz HZORCXIWUPRLBM-BMLIUANNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573455950 945889338 /nfs/dbraw/zinc/88/93/38/945889338.db2.gz HZORCXIWUPRLBM-BTDLBPIBSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573455950 945889327 /nfs/dbraw/zinc/88/93/27/945889327.db2.gz HZORCXIWUPRLBM-BTDLBPIBSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573455956 945887637 /nfs/dbraw/zinc/88/76/37/945887637.db2.gz HZORCXIWUPRLBM-DYZYQPBXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573455956 945887625 /nfs/dbraw/zinc/88/76/25/945887625.db2.gz HZORCXIWUPRLBM-DYZYQPBXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573455960 945888425 /nfs/dbraw/zinc/88/84/25/945888425.db2.gz HZORCXIWUPRLBM-QGHHPUGFSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573455960 945888418 /nfs/dbraw/zinc/88/84/18/945888418.db2.gz HZORCXIWUPRLBM-QGHHPUGFSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573456019 945886730 /nfs/dbraw/zinc/88/67/30/945886730.db2.gz IGJDVFALLSFCQA-KRWDZBQOSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573456019 945886708 /nfs/dbraw/zinc/88/67/08/945886708.db2.gz IGJDVFALLSFCQA-KRWDZBQOSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573456022 945887127 /nfs/dbraw/zinc/88/71/27/945887127.db2.gz IGJDVFALLSFCQA-QGZVFWFLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573456022 945887117 /nfs/dbraw/zinc/88/71/17/945887117.db2.gz IGJDVFALLSFCQA-QGZVFWFLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573456332 945891491 /nfs/dbraw/zinc/89/14/91/945891491.db2.gz JHXUTSZURHDNMT-UHFFFAOYSA-N -1 3 376.421 -0.360 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573456332 945891471 /nfs/dbraw/zinc/89/14/71/945891471.db2.gz JHXUTSZURHDNMT-UHFFFAOYSA-N -1 3 376.421 -0.360 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573456338 945892407 /nfs/dbraw/zinc/89/24/07/945892407.db2.gz JMDHTOVLLVBHEN-GFCCVEGCSA-N -1 3 376.421 -0.592 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573456338 945892392 /nfs/dbraw/zinc/89/23/92/945892392.db2.gz JMDHTOVLLVBHEN-GFCCVEGCSA-N -1 3 376.421 -0.592 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573456339 945890804 /nfs/dbraw/zinc/89/08/04/945890804.db2.gz JMDHTOVLLVBHEN-LBPRGKRZSA-N -1 3 376.421 -0.592 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573456339 945890794 /nfs/dbraw/zinc/89/07/94/945890794.db2.gz JMDHTOVLLVBHEN-LBPRGKRZSA-N -1 3 376.421 -0.592 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573456542 945893838 /nfs/dbraw/zinc/89/38/38/945893838.db2.gz KZMDRBZGAXMQAD-UHFFFAOYSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573456542 945893824 /nfs/dbraw/zinc/89/38/24/945893824.db2.gz KZMDRBZGAXMQAD-UHFFFAOYSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573456550 945894454 /nfs/dbraw/zinc/89/44/54/945894454.db2.gz LKCVWGYBCAKJLS-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573456550 945894440 /nfs/dbraw/zinc/89/44/40/945894440.db2.gz LKCVWGYBCAKJLS-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)CCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573456600 945894414 /nfs/dbraw/zinc/89/44/14/945894414.db2.gz MSTIGSNCYCDOIX-UHFFFAOYSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)CCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573456600 945894401 /nfs/dbraw/zinc/89/44/01/945894401.db2.gz MSTIGSNCYCDOIX-UHFFFAOYSA-N -1 3 376.421 -0.312 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573456603 945894558 /nfs/dbraw/zinc/89/45/58/945894558.db2.gz MVTYSKUNHOGWHN-GFCCVEGCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573456603 945894542 /nfs/dbraw/zinc/89/45/42/945894542.db2.gz MVTYSKUNHOGWHN-GFCCVEGCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573456604 945894684 /nfs/dbraw/zinc/89/46/84/945894684.db2.gz MVTYSKUNHOGWHN-LBPRGKRZSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573456604 945894668 /nfs/dbraw/zinc/89/46/68/945894668.db2.gz MVTYSKUNHOGWHN-LBPRGKRZSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573456605 945894724 /nfs/dbraw/zinc/89/47/24/945894724.db2.gz MYIHRYUOOJGMJQ-UHFFFAOYSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573456605 945894708 /nfs/dbraw/zinc/89/47/08/945894708.db2.gz MYIHRYUOOJGMJQ-UHFFFAOYSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573456607 945894642 /nfs/dbraw/zinc/89/46/42/945894642.db2.gz NAJZVFJRSGRHTR-KRWDZBQOSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573456607 945894627 /nfs/dbraw/zinc/89/46/27/945894627.db2.gz NAJZVFJRSGRHTR-KRWDZBQOSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573456608 945893648 /nfs/dbraw/zinc/89/36/48/945893648.db2.gz NAJZVFJRSGRHTR-QGZVFWFLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573456608 945893636 /nfs/dbraw/zinc/89/36/36/945893636.db2.gz NAJZVFJRSGRHTR-QGZVFWFLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573456611 945897894 /nfs/dbraw/zinc/89/78/94/945897894.db2.gz NBYZZLCKNZFJHP-LLVKDONJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573456611 945897886 /nfs/dbraw/zinc/89/78/86/945897886.db2.gz NBYZZLCKNZFJHP-LLVKDONJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573456612 945897678 /nfs/dbraw/zinc/89/76/78/945897678.db2.gz NBYZZLCKNZFJHP-NSHDSACASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573456612 945897665 /nfs/dbraw/zinc/89/76/65/945897665.db2.gz NBYZZLCKNZFJHP-NSHDSACASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573456745 945897480 /nfs/dbraw/zinc/89/74/80/945897480.db2.gz ODGBXZAJUMVHSO-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573456745 945897474 /nfs/dbraw/zinc/89/74/74/945897474.db2.gz ODGBXZAJUMVHSO-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573456749 945896690 /nfs/dbraw/zinc/89/66/90/945896690.db2.gz OHHNSWCOPBZTBF-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573456749 945896682 /nfs/dbraw/zinc/89/66/82/945896682.db2.gz OHHNSWCOPBZTBF-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573456752 945896718 /nfs/dbraw/zinc/89/67/18/945896718.db2.gz OHHNSWCOPBZTBF-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573456752 945896709 /nfs/dbraw/zinc/89/67/09/945896709.db2.gz OHHNSWCOPBZTBF-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573456757 945897818 /nfs/dbraw/zinc/89/78/18/945897818.db2.gz OHKPVBRFRRMKHF-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC([C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573456757 945897806 /nfs/dbraw/zinc/89/78/06/945897806.db2.gz OHKPVBRFRRMKHF-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573456758 945896215 /nfs/dbraw/zinc/89/62/15/945896215.db2.gz OHKPVBRFRRMKHF-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC([C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573456758 945896202 /nfs/dbraw/zinc/89/62/02/945896202.db2.gz OHKPVBRFRRMKHF-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573456771 945896330 /nfs/dbraw/zinc/89/63/30/945896330.db2.gz PASRZHHZRVZEJU-LLVKDONJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573456771 945896310 /nfs/dbraw/zinc/89/63/10/945896310.db2.gz PASRZHHZRVZEJU-LLVKDONJSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573456772 945898507 /nfs/dbraw/zinc/89/85/07/945898507.db2.gz PASRZHHZRVZEJU-NSHDSACASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573456772 945898495 /nfs/dbraw/zinc/89/84/95/945898495.db2.gz PASRZHHZRVZEJU-NSHDSACASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573456805 945897924 /nfs/dbraw/zinc/89/79/24/945897924.db2.gz PHLLEIHHYPYIOX-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573456805 945897913 /nfs/dbraw/zinc/89/79/13/945897913.db2.gz PHLLEIHHYPYIOX-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573456807 945898373 /nfs/dbraw/zinc/89/83/73/945898373.db2.gz PHLLEIHHYPYIOX-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573456807 945898360 /nfs/dbraw/zinc/89/83/60/945898360.db2.gz PHLLEIHHYPYIOX-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573456827 945901197 /nfs/dbraw/zinc/90/11/97/945901197.db2.gz PNSPCPMQASRKNO-KRWDZBQOSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573456827 945901189 /nfs/dbraw/zinc/90/11/89/945901189.db2.gz PNSPCPMQASRKNO-KRWDZBQOSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573456831 945900600 /nfs/dbraw/zinc/90/06/00/945900600.db2.gz PNSPCPMQASRKNO-QGZVFWFLSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573456831 945900593 /nfs/dbraw/zinc/90/05/93/945900593.db2.gz PNSPCPMQASRKNO-QGZVFWFLSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573456835 945900898 /nfs/dbraw/zinc/90/08/98/945900898.db2.gz POMHBQOXHVZZHQ-KRWDZBQOSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573456835 945900891 /nfs/dbraw/zinc/90/08/91/945900891.db2.gz POMHBQOXHVZZHQ-KRWDZBQOSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573456839 945900942 /nfs/dbraw/zinc/90/09/42/945900942.db2.gz POMHBQOXHVZZHQ-QGZVFWFLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573456839 945900939 /nfs/dbraw/zinc/90/09/39/945900939.db2.gz POMHBQOXHVZZHQ-QGZVFWFLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573456887 945900494 /nfs/dbraw/zinc/90/04/94/945900494.db2.gz PTBJFDBNONYBRN-GFCCVEGCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573456887 945900485 /nfs/dbraw/zinc/90/04/85/945900485.db2.gz PTBJFDBNONYBRN-GFCCVEGCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573456891 945899649 /nfs/dbraw/zinc/89/96/49/945899649.db2.gz PTBJFDBNONYBRN-LBPRGKRZSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573456891 945899639 /nfs/dbraw/zinc/89/96/39/945899639.db2.gz PTBJFDBNONYBRN-LBPRGKRZSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573456981 945900157 /nfs/dbraw/zinc/90/01/57/945900157.db2.gz RAKQQRUMWOZTLM-GFCCVEGCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573456981 945900151 /nfs/dbraw/zinc/90/01/51/945900151.db2.gz RAKQQRUMWOZTLM-GFCCVEGCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573456982 945899078 /nfs/dbraw/zinc/89/90/78/945899078.db2.gz RAKQQRUMWOZTLM-LBPRGKRZSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573456982 945899064 /nfs/dbraw/zinc/89/90/64/945899064.db2.gz RAKQQRUMWOZTLM-LBPRGKRZSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573457295 945905786 /nfs/dbraw/zinc/90/57/86/945905786.db2.gz VLLKRPTYEPZRKW-NOZJJQNGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573457295 945905777 /nfs/dbraw/zinc/90/57/77/945905777.db2.gz VLLKRPTYEPZRKW-NOZJJQNGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573457299 945906019 /nfs/dbraw/zinc/90/60/19/945906019.db2.gz VLLKRPTYEPZRKW-RNCFNFMXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573457299 945906013 /nfs/dbraw/zinc/90/60/13/945906013.db2.gz VLLKRPTYEPZRKW-RNCFNFMXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573457304 945904865 /nfs/dbraw/zinc/90/48/65/945904865.db2.gz VLLKRPTYEPZRKW-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573457304 945904858 /nfs/dbraw/zinc/90/48/58/945904858.db2.gz VLLKRPTYEPZRKW-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](C)C1 ZINC001573457307 945904956 /nfs/dbraw/zinc/90/49/56/945904956.db2.gz VLLKRPTYEPZRKW-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](C)C1 ZINC001573457307 945904944 /nfs/dbraw/zinc/90/49/44/945904944.db2.gz VLLKRPTYEPZRKW-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1 ZINC001573457438 945905288 /nfs/dbraw/zinc/90/52/88/945905288.db2.gz WVJVTARXJVOVAW-GFCCVEGCSA-N -1 3 390.448 -0.568 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1 ZINC001573457438 945905283 /nfs/dbraw/zinc/90/52/83/945905283.db2.gz WVJVTARXJVOVAW-GFCCVEGCSA-N -1 3 390.448 -0.568 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1 ZINC001573457439 945904656 /nfs/dbraw/zinc/90/46/56/945904656.db2.gz WVJVTARXJVOVAW-LBPRGKRZSA-N -1 3 390.448 -0.568 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1 ZINC001573457439 945904653 /nfs/dbraw/zinc/90/46/53/945904653.db2.gz WVJVTARXJVOVAW-LBPRGKRZSA-N -1 3 390.448 -0.568 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573457602 945907739 /nfs/dbraw/zinc/90/77/39/945907739.db2.gz XXXLZPPFJQHCHV-BMLIUANNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573457602 945907725 /nfs/dbraw/zinc/90/77/25/945907725.db2.gz XXXLZPPFJQHCHV-BMLIUANNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573457606 945908479 /nfs/dbraw/zinc/90/84/79/945908479.db2.gz XXXLZPPFJQHCHV-BTDLBPIBSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573457606 945908469 /nfs/dbraw/zinc/90/84/69/945908469.db2.gz XXXLZPPFJQHCHV-BTDLBPIBSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573457609 945908282 /nfs/dbraw/zinc/90/82/82/945908282.db2.gz XXXLZPPFJQHCHV-DYZYQPBXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@](C)(C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573457609 945908275 /nfs/dbraw/zinc/90/82/75/945908275.db2.gz XXXLZPPFJQHCHV-DYZYQPBXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573457612 945907785 /nfs/dbraw/zinc/90/77/85/945907785.db2.gz XXXLZPPFJQHCHV-QGHHPUGFSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@](C)(C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573457612 945907773 /nfs/dbraw/zinc/90/77/73/945907773.db2.gz XXXLZPPFJQHCHV-QGHHPUGFSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573457633 945907129 /nfs/dbraw/zinc/90/71/29/945907129.db2.gz YDXNUGPHFWNJAG-GFCCVEGCSA-N -1 3 376.421 -0.592 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573457633 945907119 /nfs/dbraw/zinc/90/71/19/945907119.db2.gz YDXNUGPHFWNJAG-GFCCVEGCSA-N -1 3 376.421 -0.592 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573457636 945908141 /nfs/dbraw/zinc/90/81/41/945908141.db2.gz YDXNUGPHFWNJAG-LBPRGKRZSA-N -1 3 376.421 -0.592 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573457636 945908133 /nfs/dbraw/zinc/90/81/33/945908133.db2.gz YDXNUGPHFWNJAG-LBPRGKRZSA-N -1 3 376.421 -0.592 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1 ZINC001573457668 945907437 /nfs/dbraw/zinc/90/74/37/945907437.db2.gz YMGMRCBWZIUBEA-UHFFFAOYSA-N -1 3 376.421 -0.591 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1 ZINC001573457668 945907425 /nfs/dbraw/zinc/90/74/25/945907425.db2.gz YMGMRCBWZIUBEA-UHFFFAOYSA-N -1 3 376.421 -0.591 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573457745 945907275 /nfs/dbraw/zinc/90/72/75/945907275.db2.gz ZMAGRNCQDYHXHI-KRWDZBQOSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573457745 945907268 /nfs/dbraw/zinc/90/72/68/945907268.db2.gz ZMAGRNCQDYHXHI-KRWDZBQOSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573457746 945908567 /nfs/dbraw/zinc/90/85/67/945908567.db2.gz ZMAGRNCQDYHXHI-QGZVFWFLSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573457746 945908560 /nfs/dbraw/zinc/90/85/60/945908560.db2.gz ZMAGRNCQDYHXHI-QGZVFWFLSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573457777 945908506 /nfs/dbraw/zinc/90/85/06/945908506.db2.gz ZVQUEWBQAZRYPC-GFCCVEGCSA-N -1 3 390.448 -0.284 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573457777 945908498 /nfs/dbraw/zinc/90/84/98/945908498.db2.gz ZVQUEWBQAZRYPC-GFCCVEGCSA-N -1 3 390.448 -0.284 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573457782 945906761 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CDDOWXBBKQNZKQ-LBPRGKRZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573458989 945909535 /nfs/dbraw/zinc/90/95/35/945909535.db2.gz CDDOWXBBKQNZKQ-LBPRGKRZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573459002 945910119 /nfs/dbraw/zinc/91/01/19/945910119.db2.gz CJQMCIMRLVSHJS-RYUDHWBXSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573459002 945910109 /nfs/dbraw/zinc/91/01/09/945910109.db2.gz CJQMCIMRLVSHJS-RYUDHWBXSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573459008 945909777 /nfs/dbraw/zinc/90/97/77/945909777.db2.gz CRKMZFSSDRGQTA-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573459008 945909769 /nfs/dbraw/zinc/90/97/69/945909769.db2.gz CRKMZFSSDRGQTA-UHFFFAOYSA-N -1 3 388.432 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CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573459015 945910665 /nfs/dbraw/zinc/91/06/65/945910665.db2.gz CSNBEPLQEKBATL-IUCAKERBSA-N -1 3 376.421 -0.268 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573459016 945912227 /nfs/dbraw/zinc/91/22/27/945912227.db2.gz CSNBEPLQEKBATL-RKDXNWHRSA-N -1 3 376.421 -0.268 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573459016 945912220 /nfs/dbraw/zinc/91/22/20/945912220.db2.gz CSNBEPLQEKBATL-RKDXNWHRSA-N -1 3 376.421 -0.268 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573459246 945912302 /nfs/dbraw/zinc/91/23/02/945912302.db2.gz DEIHDCSSQPOSEG-GFCCVEGCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573459246 945912294 /nfs/dbraw/zinc/91/22/94/945912294.db2.gz DEIHDCSSQPOSEG-GFCCVEGCSA-N -1 3 388.432 -0.218 20 0 GBADHM 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388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573459629 945914977 /nfs/dbraw/zinc/91/49/77/945914977.db2.gz HWWWAIHISGUUAI-GFCCVEGCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573459630 945915558 /nfs/dbraw/zinc/91/55/58/945915558.db2.gz HWWWAIHISGUUAI-LBPRGKRZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573459630 945915554 /nfs/dbraw/zinc/91/55/54/945915554.db2.gz HWWWAIHISGUUAI-LBPRGKRZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573460070 945915971 /nfs/dbraw/zinc/91/59/71/945915971.db2.gz INHKGTVJMJFNRF-CYBMUJFWSA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573460070 945915962 /nfs/dbraw/zinc/91/59/62/945915962.db2.gz INHKGTVJMJFNRF-CYBMUJFWSA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573460076 945915799 /nfs/dbraw/zinc/91/57/99/945915799.db2.gz INHKGTVJMJFNRF-ZDUSSCGKSA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573460076 945915793 /nfs/dbraw/zinc/91/57/93/945915793.db2.gz INHKGTVJMJFNRF-ZDUSSCGKSA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573460130 945915711 /nfs/dbraw/zinc/91/57/11/945915711.db2.gz JEPIZTDKLCBZGH-UHFFFAOYSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573460130 945915705 /nfs/dbraw/zinc/91/57/05/945915705.db2.gz JEPIZTDKLCBZGH-UHFFFAOYSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573460178 945914533 /nfs/dbraw/zinc/91/45/33/945914533.db2.gz KAXUORXDCKHONO-LLVKDONJSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573460178 945914527 /nfs/dbraw/zinc/91/45/27/945914527.db2.gz KAXUORXDCKHONO-LLVKDONJSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573460183 945914695 /nfs/dbraw/zinc/91/46/95/945914695.db2.gz KAXUORXDCKHONO-NSHDSACASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573460183 945914686 /nfs/dbraw/zinc/91/46/86/945914686.db2.gz KAXUORXDCKHONO-NSHDSACASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573460188 945914789 /nfs/dbraw/zinc/91/47/89/945914789.db2.gz KDYJVXIFZHZQMW-BDAKNGLRSA-N -1 3 376.421 -0.268 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573460188 945914781 /nfs/dbraw/zinc/91/47/81/945914781.db2.gz KDYJVXIFZHZQMW-BDAKNGLRSA-N -1 3 376.421 -0.268 20 0 GBADHM 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GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573461898 945924894 /nfs/dbraw/zinc/92/48/94/945924894.db2.gz SZQKQBYNEPABAO-IUCAKERBSA-N -1 3 376.421 -0.268 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573461898 945924890 /nfs/dbraw/zinc/92/48/90/945924890.db2.gz SZQKQBYNEPABAO-IUCAKERBSA-N -1 3 376.421 -0.268 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573461899 945924644 /nfs/dbraw/zinc/92/46/44/945924644.db2.gz SZQKQBYNEPABAO-RKDXNWHRSA-N -1 3 376.421 -0.268 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573461899 945924638 /nfs/dbraw/zinc/92/46/38/945924638.db2.gz SZQKQBYNEPABAO-RKDXNWHRSA-N -1 3 376.421 -0.268 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573461906 945924333 /nfs/dbraw/zinc/92/43/33/945924333.db2.gz TZAFKEMWEBFSRX-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573461906 945924328 /nfs/dbraw/zinc/92/43/28/945924328.db2.gz TZAFKEMWEBFSRX-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573461907 945925193 /nfs/dbraw/zinc/92/51/93/945925193.db2.gz TZAFKEMWEBFSRX-ZDUSSCGKSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573461907 945925188 /nfs/dbraw/zinc/92/51/88/945925188.db2.gz TZAFKEMWEBFSRX-ZDUSSCGKSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573461908 945925907 /nfs/dbraw/zinc/92/59/07/945925907.db2.gz UBCUBSKHNUIYHC-GFCCVEGCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573461908 945925899 /nfs/dbraw/zinc/92/58/99/945925899.db2.gz UBCUBSKHNUIYHC-GFCCVEGCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573461909 945925931 /nfs/dbraw/zinc/92/59/31/945925931.db2.gz UBCUBSKHNUIYHC-LBPRGKRZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573461909 945925923 /nfs/dbraw/zinc/92/59/23/945925923.db2.gz UBCUBSKHNUIYHC-LBPRGKRZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573461928 945927962 /nfs/dbraw/zinc/92/79/62/945927962.db2.gz UJZQDHYZRQYDJZ-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573461928 945927956 /nfs/dbraw/zinc/92/79/56/945927956.db2.gz UJZQDHYZRQYDJZ-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573461929 945927319 /nfs/dbraw/zinc/92/73/19/945927319.db2.gz UJZQDHYZRQYDJZ-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573461929 945927315 /nfs/dbraw/zinc/92/73/15/945927315.db2.gz UJZQDHYZRQYDJZ-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573462005 945926980 /nfs/dbraw/zinc/92/69/80/945926980.db2.gz VRNLHUATMLGTCJ-SECBINFHSA-N -1 3 376.421 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573462005 945926971 /nfs/dbraw/zinc/92/69/71/945926971.db2.gz VRNLHUATMLGTCJ-SECBINFHSA-N -1 3 376.421 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573462006 945927649 /nfs/dbraw/zinc/92/76/49/945927649.db2.gz VRNLHUATMLGTCJ-VIFPVBQESA-N -1 3 376.421 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573462006 945927641 /nfs/dbraw/zinc/92/76/41/945927641.db2.gz VRNLHUATMLGTCJ-VIFPVBQESA-N -1 3 376.421 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573462010 945928031 /nfs/dbraw/zinc/92/80/31/945928031.db2.gz VTVMIDZBCHVPEV-PJXYFTJBSA-N -1 3 386.416 -0.704 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573462010 945928020 /nfs/dbraw/zinc/92/80/20/945928020.db2.gz VTVMIDZBCHVPEV-PJXYFTJBSA-N -1 3 386.416 -0.704 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573462066 945930136 /nfs/dbraw/zinc/93/01/36/945930136.db2.gz YARIYADGOBELKI-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573462066 945930132 /nfs/dbraw/zinc/93/01/32/945930132.db2.gz YARIYADGOBELKI-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573462067 945930350 /nfs/dbraw/zinc/93/03/50/945930350.db2.gz YARIYADGOBELKI-ZDUSSCGKSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573462067 945930344 /nfs/dbraw/zinc/93/03/44/945930344.db2.gz YARIYADGOBELKI-ZDUSSCGKSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573462106 945930088 /nfs/dbraw/zinc/93/00/88/945930088.db2.gz ZYJKRNWRBGDNKD-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573462106 945930084 /nfs/dbraw/zinc/93/00/84/945930084.db2.gz ZYJKRNWRBGDNKD-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573462107 945930696 /nfs/dbraw/zinc/93/06/96/945930696.db2.gz ZYJKRNWRBGDNKD-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573462107 945930686 /nfs/dbraw/zinc/93/06/86/945930686.db2.gz ZYJKRNWRBGDNKD-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573462109 945932831 /nfs/dbraw/zinc/93/28/31/945932831.db2.gz ADYLREJYPQYJAT-NOZJJQNGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573462109 945932825 /nfs/dbraw/zinc/93/28/25/945932825.db2.gz ADYLREJYPQYJAT-NOZJJQNGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573462110 945931733 /nfs/dbraw/zinc/93/17/33/945931733.db2.gz ADYLREJYPQYJAT-RNCFNFMXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573462110 945931723 /nfs/dbraw/zinc/93/17/23/945931723.db2.gz ADYLREJYPQYJAT-RNCFNFMXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001573462111 945931704 /nfs/dbraw/zinc/93/17/04/945931704.db2.gz ADYLREJYPQYJAT-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001573462111 945931697 /nfs/dbraw/zinc/93/16/97/945931697.db2.gz ADYLREJYPQYJAT-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1C ZINC001573462112 945931945 /nfs/dbraw/zinc/93/19/45/945931945.db2.gz ADYLREJYPQYJAT-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1C ZINC001573462112 945931938 /nfs/dbraw/zinc/93/19/38/945931938.db2.gz ADYLREJYPQYJAT-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573462126 945931920 /nfs/dbraw/zinc/93/19/20/945931920.db2.gz AHLMTNXXANBIHJ-CYBMUJFWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573462126 945931911 /nfs/dbraw/zinc/93/19/11/945931911.db2.gz AHLMTNXXANBIHJ-CYBMUJFWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573462127 945932999 /nfs/dbraw/zinc/93/29/99/945932999.db2.gz AHLMTNXXANBIHJ-ZDUSSCGKSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573462127 945932995 /nfs/dbraw/zinc/93/29/95/945932995.db2.gz AHLMTNXXANBIHJ-ZDUSSCGKSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573462154 945932017 /nfs/dbraw/zinc/93/20/17/945932017.db2.gz BAMYXTOLMRFTNH-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573462154 945932013 /nfs/dbraw/zinc/93/20/13/945932013.db2.gz BAMYXTOLMRFTNH-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573462155 945932779 /nfs/dbraw/zinc/93/27/79/945932779.db2.gz BAMYXTOLMRFTNH-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573462155 945932773 /nfs/dbraw/zinc/93/27/73/945932773.db2.gz BAMYXTOLMRFTNH-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573462166 945932987 /nfs/dbraw/zinc/93/29/87/945932987.db2.gz BGCSWOUOLKVEIR-JTQLQIEISA-N -1 3 380.384 -0.796 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573462166 945932983 /nfs/dbraw/zinc/93/29/83/945932983.db2.gz BGCSWOUOLKVEIR-JTQLQIEISA-N -1 3 380.384 -0.796 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573462167 945931752 /nfs/dbraw/zinc/93/17/52/945931752.db2.gz BGCSWOUOLKVEIR-SNVBAGLBSA-N -1 3 380.384 -0.796 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573462167 945931748 /nfs/dbraw/zinc/93/17/48/945931748.db2.gz BGCSWOUOLKVEIR-SNVBAGLBSA-N -1 3 380.384 -0.796 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573462168 945931642 /nfs/dbraw/zinc/93/16/42/945931642.db2.gz BIEAJROIIDJXQG-GXSJLCMTSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573462168 945931627 /nfs/dbraw/zinc/93/16/27/945931627.db2.gz BIEAJROIIDJXQG-GXSJLCMTSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573462169 945932270 /nfs/dbraw/zinc/93/22/70/945932270.db2.gz BIEAJROIIDJXQG-KOLCDFICSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573462169 945932264 /nfs/dbraw/zinc/93/22/64/945932264.db2.gz BIEAJROIIDJXQG-KOLCDFICSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573462170 945932340 /nfs/dbraw/zinc/93/23/40/945932340.db2.gz BIEAJROIIDJXQG-MWLCHTKSSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573462170 945932333 /nfs/dbraw/zinc/93/23/33/945932333.db2.gz BIEAJROIIDJXQG-MWLCHTKSSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573462171 945931528 /nfs/dbraw/zinc/93/15/28/945931528.db2.gz BIEAJROIIDJXQG-ONGXEEELSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573462171 945931520 /nfs/dbraw/zinc/93/15/20/945931520.db2.gz BIEAJROIIDJXQG-ONGXEEELSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573462179 945931504 /nfs/dbraw/zinc/93/15/04/945931504.db2.gz BQAYEBQXKIAJFL-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573462179 945931497 /nfs/dbraw/zinc/93/14/97/945931497.db2.gz BQAYEBQXKIAJFL-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573462182 945931588 /nfs/dbraw/zinc/93/15/88/945931588.db2.gz BVDQXQDWZUJUMM-UHFFFAOYSA-N -1 3 387.444 -0.556 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573462182 945931576 /nfs/dbraw/zinc/93/15/76/945931576.db2.gz BVDQXQDWZUJUMM-UHFFFAOYSA-N -1 3 387.444 -0.556 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001573462184 945931561 /nfs/dbraw/zinc/93/15/61/945931561.db2.gz BYDJQZJAHAKNPO-GXTWGEPZSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001573462184 945931548 /nfs/dbraw/zinc/93/15/48/945931548.db2.gz BYDJQZJAHAKNPO-GXTWGEPZSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001573462185 945932369 /nfs/dbraw/zinc/93/23/69/945932369.db2.gz BYDJQZJAHAKNPO-JSGCOSHPSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001573462185 945932361 /nfs/dbraw/zinc/93/23/61/945932361.db2.gz BYDJQZJAHAKNPO-JSGCOSHPSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001573462186 945933013 /nfs/dbraw/zinc/93/30/13/945933013.db2.gz BYDJQZJAHAKNPO-OCCSQVGLSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001573462186 945933009 /nfs/dbraw/zinc/93/30/09/945933009.db2.gz BYDJQZJAHAKNPO-OCCSQVGLSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001573462187 945932862 /nfs/dbraw/zinc/93/28/62/945932862.db2.gz BYDJQZJAHAKNPO-TZMCWYRMSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001573462187 945932856 /nfs/dbraw/zinc/93/28/56/945932856.db2.gz BYDJQZJAHAKNPO-TZMCWYRMSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573462201 945933910 /nfs/dbraw/zinc/93/39/10/945933910.db2.gz CDTGDUMMEWVJAU-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573462201 945933901 /nfs/dbraw/zinc/93/39/01/945933901.db2.gz CDTGDUMMEWVJAU-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573462202 945934527 /nfs/dbraw/zinc/93/45/27/945934527.db2.gz CDTGDUMMEWVJAU-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573462202 945934521 /nfs/dbraw/zinc/93/45/21/945934521.db2.gz CDTGDUMMEWVJAU-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573462227 945933937 /nfs/dbraw/zinc/93/39/37/945933937.db2.gz CYODGZBQLYSPBD-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573462227 945933928 /nfs/dbraw/zinc/93/39/28/945933928.db2.gz CYODGZBQLYSPBD-SECBINFHSA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573462228 945935003 /nfs/dbraw/zinc/93/50/03/945935003.db2.gz CYODGZBQLYSPBD-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573462228 945934997 /nfs/dbraw/zinc/93/49/97/945934997.db2.gz CYODGZBQLYSPBD-VIFPVBQESA-N -1 3 376.421 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573462249 945934019 /nfs/dbraw/zinc/93/40/19/945934019.db2.gz DWAGVKBFTCKQIE-GFCCVEGCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573462249 945934010 /nfs/dbraw/zinc/93/40/10/945934010.db2.gz DWAGVKBFTCKQIE-GFCCVEGCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573462250 945933551 /nfs/dbraw/zinc/93/35/51/945933551.db2.gz DWAGVKBFTCKQIE-LBPRGKRZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573462250 945933541 /nfs/dbraw/zinc/93/35/41/945933541.db2.gz DWAGVKBFTCKQIE-LBPRGKRZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573462265 945933717 /nfs/dbraw/zinc/93/37/17/945933717.db2.gz FIHHHIBCWINMBG-GFCCVEGCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573462265 945933703 /nfs/dbraw/zinc/93/37/03/945933703.db2.gz FIHHHIBCWINMBG-GFCCVEGCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573462266 945934883 /nfs/dbraw/zinc/93/48/83/945934883.db2.gz FIHHHIBCWINMBG-LBPRGKRZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573462266 945934873 /nfs/dbraw/zinc/93/48/73/945934873.db2.gz FIHHHIBCWINMBG-LBPRGKRZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573462287 945936248 /nfs/dbraw/zinc/93/62/48/945936248.db2.gz FPPXYNDRCNDYPM-UHFFFAOYSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573462287 945936236 /nfs/dbraw/zinc/93/62/36/945936236.db2.gz FPPXYNDRCNDYPM-UHFFFAOYSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001573462316 945937694 /nfs/dbraw/zinc/93/76/94/945937694.db2.gz GIFQVGKMQSCLRW-GXSJLCMTSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001573462316 945937684 /nfs/dbraw/zinc/93/76/84/945937684.db2.gz GIFQVGKMQSCLRW-GXSJLCMTSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001573462317 945936367 /nfs/dbraw/zinc/93/63/67/945936367.db2.gz GIFQVGKMQSCLRW-KOLCDFICSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001573462317 945936357 /nfs/dbraw/zinc/93/63/57/945936357.db2.gz GIFQVGKMQSCLRW-KOLCDFICSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C ZINC001573462318 945936914 /nfs/dbraw/zinc/93/69/14/945936914.db2.gz GIFQVGKMQSCLRW-MWLCHTKSSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C ZINC001573462318 945936906 /nfs/dbraw/zinc/93/69/06/945936906.db2.gz GIFQVGKMQSCLRW-MWLCHTKSSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C ZINC001573462319 945937285 /nfs/dbraw/zinc/93/72/85/945937285.db2.gz GIFQVGKMQSCLRW-ONGXEEELSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C ZINC001573462319 945937275 /nfs/dbraw/zinc/93/72/75/945937275.db2.gz GIFQVGKMQSCLRW-ONGXEEELSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573462361 945940303 /nfs/dbraw/zinc/94/03/03/945940303.db2.gz HLGVSPYNCAAJEO-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573462361 945940292 /nfs/dbraw/zinc/94/02/92/945940292.db2.gz HLGVSPYNCAAJEO-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573462375 945938683 /nfs/dbraw/zinc/93/86/83/945938683.db2.gz HPRGYSPBIYHTEV-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573462375 945938680 /nfs/dbraw/zinc/93/86/80/945938680.db2.gz HPRGYSPBIYHTEV-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573462376 945939290 /nfs/dbraw/zinc/93/92/90/945939290.db2.gz HPRGYSPBIYHTEV-ZDUSSCGKSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573462376 945939278 /nfs/dbraw/zinc/93/92/78/945939278.db2.gz HPRGYSPBIYHTEV-ZDUSSCGKSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573462407 945938751 /nfs/dbraw/zinc/93/87/51/945938751.db2.gz IJYQWZVXDLGSHH-UHFFFAOYSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573462407 945938741 /nfs/dbraw/zinc/93/87/41/945938741.db2.gz IJYQWZVXDLGSHH-UHFFFAOYSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573462408 945939255 /nfs/dbraw/zinc/93/92/55/945939255.db2.gz IKCFKRHJHBZHSH-SECBINFHSA-N -1 3 382.450 -0.565 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573462410 945940122 /nfs/dbraw/zinc/94/01/22/945940122.db2.gz IKCFKRHJHBZHSH-VIFPVBQESA-N -1 3 382.450 -0.565 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573462445 945942669 /nfs/dbraw/zinc/94/26/69/945942669.db2.gz JSVMQVHHFCYJBW-GFCCVEGCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573462445 945942661 /nfs/dbraw/zinc/94/26/61/945942661.db2.gz JSVMQVHHFCYJBW-GFCCVEGCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573462447 945942086 /nfs/dbraw/zinc/94/20/86/945942086.db2.gz JSVMQVHHFCYJBW-LBPRGKRZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573462447 945942076 /nfs/dbraw/zinc/94/20/76/945942076.db2.gz JSVMQVHHFCYJBW-LBPRGKRZSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573462448 945942516 /nfs/dbraw/zinc/94/25/16/945942516.db2.gz JTCXXJQFKBZUHG-JTQLQIEISA-N -1 3 379.396 -0.191 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573462448 945942506 /nfs/dbraw/zinc/94/25/06/945942506.db2.gz JTCXXJQFKBZUHG-JTQLQIEISA-N -1 3 379.396 -0.191 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001573462450 945942891 /nfs/dbraw/zinc/94/28/91/945942891.db2.gz JTCXXJQFKBZUHG-SNVBAGLBSA-N -1 3 379.396 -0.191 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001573462450 945942876 /nfs/dbraw/zinc/94/28/76/945942876.db2.gz JTCXXJQFKBZUHG-SNVBAGLBSA-N -1 3 379.396 -0.191 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573462468 945941628 /nfs/dbraw/zinc/94/16/28/945941628.db2.gz KEBOZVMNPIOXOE-BXKDBHETSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573462468 945941622 /nfs/dbraw/zinc/94/16/22/945941622.db2.gz KEBOZVMNPIOXOE-BXKDBHETSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573462470 945942641 /nfs/dbraw/zinc/94/26/41/945942641.db2.gz KEBOZVMNPIOXOE-CABZTGNLSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573462470 945942633 /nfs/dbraw/zinc/94/26/33/945942633.db2.gz KEBOZVMNPIOXOE-CABZTGNLSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573462472 945943157 /nfs/dbraw/zinc/94/31/57/945943157.db2.gz KEBOZVMNPIOXOE-JOYOIKCWSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573462472 945943150 /nfs/dbraw/zinc/94/31/50/945943150.db2.gz KEBOZVMNPIOXOE-JOYOIKCWSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573462474 945941513 /nfs/dbraw/zinc/94/15/13/945941513.db2.gz KEBOZVMNPIOXOE-SKDRFNHKSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573462474 945941505 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LJBQZGDZCLFSJW-NSHDSACASA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573462562 945942712 /nfs/dbraw/zinc/94/27/12/945942712.db2.gz LJBQZGDZCLFSJW-NSHDSACASA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573462651 945944467 /nfs/dbraw/zinc/94/44/67/945944467.db2.gz LRDQACXVAHKPNU-LLVKDONJSA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573462651 945944457 /nfs/dbraw/zinc/94/44/57/945944457.db2.gz LRDQACXVAHKPNU-LLVKDONJSA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573462652 945943881 /nfs/dbraw/zinc/94/38/81/945943881.db2.gz LRDQACXVAHKPNU-NSHDSACASA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573462652 945943876 /nfs/dbraw/zinc/94/38/76/945943876.db2.gz LRDQACXVAHKPNU-NSHDSACASA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573462655 945944305 /nfs/dbraw/zinc/94/43/05/945944305.db2.gz LRQCYXGCZBXOLS-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573462655 945944296 /nfs/dbraw/zinc/94/42/96/945944296.db2.gz LRQCYXGCZBXOLS-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573462666 945944438 /nfs/dbraw/zinc/94/44/38/945944438.db2.gz LZKMNVBSNBMOTL-LLVKDONJSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573462666 945944430 /nfs/dbraw/zinc/94/44/30/945944430.db2.gz LZKMNVBSNBMOTL-LLVKDONJSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573462668 945944065 /nfs/dbraw/zinc/94/40/65/945944065.db2.gz LZKMNVBSNBMOTL-NSHDSACASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573462668 945944059 /nfs/dbraw/zinc/94/40/59/945944059.db2.gz LZKMNVBSNBMOTL-NSHDSACASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001573462677 945945544 /nfs/dbraw/zinc/94/55/44/945945544.db2.gz MBNBVESQAMXKAQ-ZSOGYDGISA-N -1 3 384.444 -0.025 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001573462677 945945536 /nfs/dbraw/zinc/94/55/36/945945536.db2.gz MBNBVESQAMXKAQ-ZSOGYDGISA-N -1 3 384.444 -0.025 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573462699 945945417 /nfs/dbraw/zinc/94/54/17/945945417.db2.gz MGQDDJXMMPQAQI-CYBMUJFWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573462699 945945411 /nfs/dbraw/zinc/94/54/11/945945411.db2.gz MGQDDJXMMPQAQI-CYBMUJFWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573462701 945943998 /nfs/dbraw/zinc/94/39/98/945943998.db2.gz MGQDDJXMMPQAQI-ZDUSSCGKSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573462701 945943987 /nfs/dbraw/zinc/94/39/87/945943987.db2.gz MGQDDJXMMPQAQI-ZDUSSCGKSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573462707 945944918 /nfs/dbraw/zinc/94/49/18/945944918.db2.gz MJKHSSWSHKKDLQ-KRWDZBQOSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573462707 945944910 /nfs/dbraw/zinc/94/49/10/945944910.db2.gz MJKHSSWSHKKDLQ-KRWDZBQOSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573462708 945943855 /nfs/dbraw/zinc/94/38/55/945943855.db2.gz MJKHSSWSHKKDLQ-QGZVFWFLSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573462708 945943844 /nfs/dbraw/zinc/94/38/44/945943844.db2.gz MJKHSSWSHKKDLQ-QGZVFWFLSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NCC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573462714 945945319 /nfs/dbraw/zinc/94/53/19/945945319.db2.gz MMWNJYPINQMWCY-UHFFFAOYSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NCC1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573462714 945945309 /nfs/dbraw/zinc/94/53/09/945945309.db2.gz MMWNJYPINQMWCY-UHFFFAOYSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573462716 945944579 /nfs/dbraw/zinc/94/45/79/945944579.db2.gz MQGFTNLYOVSINM-BXKDBHETSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573462716 945944570 /nfs/dbraw/zinc/94/45/70/945944570.db2.gz MQGFTNLYOVSINM-BXKDBHETSA-N -1 3 388.432 -0.171 20 0 GBADHM 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CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H](C)N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573462723 945944243 /nfs/dbraw/zinc/94/42/43/945944243.db2.gz MQGFTNLYOVSINM-SKDRFNHKSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573462795 945947806 /nfs/dbraw/zinc/94/78/06/945947806.db2.gz NJRCEYJCWBIEFR-LLVKDONJSA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573462795 945947800 /nfs/dbraw/zinc/94/78/00/945947800.db2.gz NJRCEYJCWBIEFR-LLVKDONJSA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573462797 945947177 /nfs/dbraw/zinc/94/71/77/945947177.db2.gz NJRCEYJCWBIEFR-NSHDSACASA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573462797 945947166 /nfs/dbraw/zinc/94/71/66/945947166.db2.gz NJRCEYJCWBIEFR-NSHDSACASA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C 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ZINC001573462865 945947912 /nfs/dbraw/zinc/94/79/12/945947912.db2.gz NRCBUEAJBDXQJL-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001573462867 945946904 /nfs/dbraw/zinc/94/69/04/945946904.db2.gz NRCBUEAJBDXQJL-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001573462867 945946902 /nfs/dbraw/zinc/94/69/02/945946902.db2.gz NRCBUEAJBDXQJL-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573462882 945947695 /nfs/dbraw/zinc/94/76/95/945947695.db2.gz NUVWNGLVUJYXBP-LLVKDONJSA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573462882 945947686 /nfs/dbraw/zinc/94/76/86/945947686.db2.gz NUVWNGLVUJYXBP-LLVKDONJSA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573462883 945946152 /nfs/dbraw/zinc/94/61/52/945946152.db2.gz NUVWNGLVUJYXBP-NSHDSACASA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573462883 945946142 /nfs/dbraw/zinc/94/61/42/945946142.db2.gz NUVWNGLVUJYXBP-NSHDSACASA-N -1 3 376.421 -0.626 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](CO)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573462885 945946595 /nfs/dbraw/zinc/94/65/95/945946595.db2.gz NZJNQLIRURLPTI-SECBINFHSA-N -1 3 382.450 -0.565 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](CO)Nc1snc(C)c1-c1nnn[n-]1 ZINC001573462886 945947669 /nfs/dbraw/zinc/94/76/69/945947669.db2.gz NZJNQLIRURLPTI-VIFPVBQESA-N -1 3 382.450 -0.565 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573462889 945947646 /nfs/dbraw/zinc/94/76/46/945947646.db2.gz OBPBUQCIQJGFBT-UHFFFAOYSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573462889 945947637 /nfs/dbraw/zinc/94/76/37/945947637.db2.gz OBPBUQCIQJGFBT-UHFFFAOYSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573462891 945946794 /nfs/dbraw/zinc/94/67/94/945946794.db2.gz OCFAALBFVPTDOO-CYBMUJFWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573462891 945946781 /nfs/dbraw/zinc/94/67/81/945946781.db2.gz OCFAALBFVPTDOO-CYBMUJFWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573462893 945947290 /nfs/dbraw/zinc/94/72/90/945947290.db2.gz OCFAALBFVPTDOO-ZDUSSCGKSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573462893 945947281 /nfs/dbraw/zinc/94/72/81/945947281.db2.gz OCFAALBFVPTDOO-ZDUSSCGKSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573462919 945947254 /nfs/dbraw/zinc/94/72/54/945947254.db2.gz OTETVIPJDKADRJ-UHFFFAOYSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573462919 945947241 /nfs/dbraw/zinc/94/72/41/945947241.db2.gz OTETVIPJDKADRJ-UHFFFAOYSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001573462985 945949925 /nfs/dbraw/zinc/94/99/25/945949925.db2.gz QHVMMEZUDUFSAZ-UHFFFAOYSA-N -1 3 387.444 -0.556 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001573462985 945949916 /nfs/dbraw/zinc/94/99/16/945949916.db2.gz QHVMMEZUDUFSAZ-UHFFFAOYSA-N -1 3 387.444 -0.556 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573463000 945949750 /nfs/dbraw/zinc/94/97/50/945949750.db2.gz QNFFXEKXTMCSON-JTQLQIEISA-N -1 3 379.396 -0.191 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573463000 945949738 /nfs/dbraw/zinc/94/97/38/945949738.db2.gz QNFFXEKXTMCSON-JTQLQIEISA-N -1 3 379.396 -0.191 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573463001 945948986 /nfs/dbraw/zinc/94/89/86/945948986.db2.gz QNFFXEKXTMCSON-SNVBAGLBSA-N -1 3 379.396 -0.191 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573463001 945948971 /nfs/dbraw/zinc/94/89/71/945948971.db2.gz QNFFXEKXTMCSON-SNVBAGLBSA-N -1 3 379.396 -0.191 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573463112 945949564 /nfs/dbraw/zinc/94/95/64/945949564.db2.gz QOVQCAUOTPAODH-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573463112 945949558 /nfs/dbraw/zinc/94/95/58/945949558.db2.gz QOVQCAUOTPAODH-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573463113 945949485 /nfs/dbraw/zinc/94/94/85/945949485.db2.gz QOVQCAUOTPAODH-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573463113 945949471 /nfs/dbraw/zinc/94/94/71/945949471.db2.gz QOVQCAUOTPAODH-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573463127 945949172 /nfs/dbraw/zinc/94/91/72/945949172.db2.gz QXJDPODTFOIOEY-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573463127 945949164 /nfs/dbraw/zinc/94/91/64/945949164.db2.gz QXJDPODTFOIOEY-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573463128 945949291 /nfs/dbraw/zinc/94/92/91/945949291.db2.gz QXJDPODTFOIOEY-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573463128 945949287 /nfs/dbraw/zinc/94/92/87/945949287.db2.gz QXJDPODTFOIOEY-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573463169 945951127 /nfs/dbraw/zinc/95/11/27/945951127.db2.gz SAPRPUQDYPORJO-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573463169 945951119 /nfs/dbraw/zinc/95/11/19/945951119.db2.gz SAPRPUQDYPORJO-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573463170 945952218 /nfs/dbraw/zinc/95/22/18/945952218.db2.gz SAPRPUQDYPORJO-ZDUSSCGKSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573463170 945952212 /nfs/dbraw/zinc/95/22/12/945952212.db2.gz SAPRPUQDYPORJO-ZDUSSCGKSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1 ZINC001573463280 945952238 /nfs/dbraw/zinc/95/22/38/945952238.db2.gz TZZDIDVLSSWTNF-UHFFFAOYSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1 ZINC001573463280 945952230 /nfs/dbraw/zinc/95/22/30/945952230.db2.gz TZZDIDVLSSWTNF-UHFFFAOYSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001573463309 945954808 /nfs/dbraw/zinc/95/48/08/945954808.db2.gz UQNHTGLEFQHUDW-CHWSQXEVSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001573463309 945954803 /nfs/dbraw/zinc/95/48/03/945954803.db2.gz UQNHTGLEFQHUDW-CHWSQXEVSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001573463310 945954483 /nfs/dbraw/zinc/95/44/83/945954483.db2.gz UQNHTGLEFQHUDW-OLZOCXBDSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001573463310 945954475 /nfs/dbraw/zinc/95/44/75/945954475.db2.gz UQNHTGLEFQHUDW-OLZOCXBDSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001573463311 945955068 /nfs/dbraw/zinc/95/50/68/945955068.db2.gz UQNHTGLEFQHUDW-QWHCGFSZSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001573463311 945955059 /nfs/dbraw/zinc/95/50/59/945955059.db2.gz UQNHTGLEFQHUDW-QWHCGFSZSA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001573463312 945954941 /nfs/dbraw/zinc/95/49/41/945954941.db2.gz UQNHTGLEFQHUDW-STQMWFEESA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001573463312 945954938 /nfs/dbraw/zinc/95/49/38/945954938.db2.gz UQNHTGLEFQHUDW-STQMWFEESA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573463342 945953563 /nfs/dbraw/zinc/95/35/63/945953563.db2.gz VIEATGYDNIPHGQ-JTQLQIEISA-N -1 3 380.384 -0.796 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573463342 945953561 /nfs/dbraw/zinc/95/35/61/945953561.db2.gz VIEATGYDNIPHGQ-JTQLQIEISA-N -1 3 380.384 -0.796 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573463343 945954149 /nfs/dbraw/zinc/95/41/49/945954149.db2.gz VIEATGYDNIPHGQ-SNVBAGLBSA-N -1 3 380.384 -0.796 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573463343 945954136 /nfs/dbraw/zinc/95/41/36/945954136.db2.gz VIEATGYDNIPHGQ-SNVBAGLBSA-N -1 3 380.384 -0.796 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1 ZINC001573463415 945956165 /nfs/dbraw/zinc/95/61/65/945956165.db2.gz WGIIIGLNLAENSE-UHFFFAOYSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1 ZINC001573463415 945956160 /nfs/dbraw/zinc/95/61/60/945956160.db2.gz WGIIIGLNLAENSE-UHFFFAOYSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573463449 945956970 /nfs/dbraw/zinc/95/69/70/945956970.db2.gz WKYSRCNXUBVKHP-KRWDZBQOSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573463449 945956959 /nfs/dbraw/zinc/95/69/59/945956959.db2.gz WKYSRCNXUBVKHP-KRWDZBQOSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573463450 945957200 /nfs/dbraw/zinc/95/72/00/945957200.db2.gz WKYSRCNXUBVKHP-QGZVFWFLSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573463450 945957192 /nfs/dbraw/zinc/95/71/92/945957192.db2.gz WKYSRCNXUBVKHP-QGZVFWFLSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NCC1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573463556 945958307 /nfs/dbraw/zinc/95/83/07/945958307.db2.gz YNGWWUCZYDSOTN-UHFFFAOYSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NCC1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573463556 945958294 /nfs/dbraw/zinc/95/82/94/945958294.db2.gz YNGWWUCZYDSOTN-UHFFFAOYSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001573463610 945959120 /nfs/dbraw/zinc/95/91/20/945959120.db2.gz 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GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001573463616 945959503 /nfs/dbraw/zinc/95/95/03/945959503.db2.gz YSQUNFKTCBKCFZ-STQMWFEESA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001573463616 945959498 /nfs/dbraw/zinc/95/94/98/945959498.db2.gz YSQUNFKTCBKCFZ-STQMWFEESA-N -1 3 388.432 -0.768 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573463618 945959033 /nfs/dbraw/zinc/95/90/33/945959033.db2.gz YTWLMQFCXRCFAJ-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573463618 945959029 /nfs/dbraw/zinc/95/90/29/945959029.db2.gz YTWLMQFCXRCFAJ-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NC(C)(C)C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573463619 945958346 /nfs/dbraw/zinc/95/83/46/945958346.db2.gz YTWLMQFCXRCFAJ-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM 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CZWIUIZFRZEICB-MWLCHTKSSA-N -1 3 379.396 -0.238 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573467394 945979460 /nfs/dbraw/zinc/97/94/60/945979460.db2.gz CZWIUIZFRZEICB-MWLCHTKSSA-N -1 3 379.396 -0.238 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573467395 945979430 /nfs/dbraw/zinc/97/94/30/945979430.db2.gz CZWIUIZFRZEICB-ONGXEEELSA-N -1 3 379.396 -0.238 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573467395 945979422 /nfs/dbraw/zinc/97/94/22/945979422.db2.gz CZWIUIZFRZEICB-ONGXEEELSA-N -1 3 379.396 -0.238 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573467441 945981968 /nfs/dbraw/zinc/98/19/68/945981968.db2.gz DYCSQDSVGFVMFL-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573467441 945981962 /nfs/dbraw/zinc/98/19/62/945981962.db2.gz DYCSQDSVGFVMFL-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573467442 945981382 /nfs/dbraw/zinc/98/13/82/945981382.db2.gz DYCSQDSVGFVMFL-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573467442 945981372 /nfs/dbraw/zinc/98/13/72/945981372.db2.gz DYCSQDSVGFVMFL-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573467443 945982339 /nfs/dbraw/zinc/98/23/39/945982339.db2.gz DYCSQDSVGFVMFL-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573467443 945982329 /nfs/dbraw/zinc/98/23/29/945982329.db2.gz DYCSQDSVGFVMFL-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573467444 945981351 /nfs/dbraw/zinc/98/13/51/945981351.db2.gz DYCSQDSVGFVMFL-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573467444 945981347 /nfs/dbraw/zinc/98/13/47/945981347.db2.gz DYCSQDSVGFVMFL-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573467445 945981805 /nfs/dbraw/zinc/98/18/05/945981805.db2.gz DYXWXWFJCHUYIN-JTQLQIEISA-N -1 3 376.421 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573467445 945981799 /nfs/dbraw/zinc/98/17/99/945981799.db2.gz DYXWXWFJCHUYIN-JTQLQIEISA-N -1 3 376.421 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573467446 945981334 /nfs/dbraw/zinc/98/13/34/945981334.db2.gz DYXWXWFJCHUYIN-SNVBAGLBSA-N -1 3 376.421 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573467446 945981329 /nfs/dbraw/zinc/98/13/29/945981329.db2.gz DYXWXWFJCHUYIN-SNVBAGLBSA-N -1 3 376.421 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)CCOCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001573467608 945983218 /nfs/dbraw/zinc/98/32/18/945983218.db2.gz GIGGDVCJAQVKOU-GFCCVEGCSA-N -1 3 390.448 -0.303 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)CCOCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001573467608 945983214 /nfs/dbraw/zinc/98/32/14/945983214.db2.gz GIGGDVCJAQVKOU-GFCCVEGCSA-N -1 3 390.448 -0.303 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)CCOCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001573467609 945984381 /nfs/dbraw/zinc/98/43/81/945984381.db2.gz GIGGDVCJAQVKOU-LBPRGKRZSA-N -1 3 390.448 -0.303 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)CCOCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001573467609 945984370 /nfs/dbraw/zinc/98/43/70/945984370.db2.gz GIGGDVCJAQVKOU-LBPRGKRZSA-N -1 3 390.448 -0.303 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573467627 945984123 /nfs/dbraw/zinc/98/41/23/945984123.db2.gz GPGKTTIPQHIMON-IWIIMEHWSA-N -1 3 386.416 -0.704 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001573467627 945984111 /nfs/dbraw/zinc/98/41/11/945984111.db2.gz GPGKTTIPQHIMON-IWIIMEHWSA-N -1 3 386.416 -0.704 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573467749 945983508 /nfs/dbraw/zinc/98/35/08/945983508.db2.gz HBVFFDLTKIISQC-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)CC(C)(C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573467749 945983500 /nfs/dbraw/zinc/98/35/00/945983500.db2.gz HBVFFDLTKIISQC-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573467750 945984560 /nfs/dbraw/zinc/98/45/60/945984560.db2.gz HBVFFDLTKIISQC-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573467750 945984552 /nfs/dbraw/zinc/98/45/52/945984552.db2.gz HBVFFDLTKIISQC-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573467755 945984875 /nfs/dbraw/zinc/98/48/75/945984875.db2.gz HGUKNZGBNMFWQI-LLVKDONJSA-N -1 3 376.421 -0.672 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573467755 945984866 /nfs/dbraw/zinc/98/48/66/945984866.db2.gz HGUKNZGBNMFWQI-LLVKDONJSA-N -1 3 376.421 -0.672 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573467756 945984066 /nfs/dbraw/zinc/98/40/66/945984066.db2.gz HGUKNZGBNMFWQI-NSHDSACASA-N -1 3 376.421 -0.672 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573467756 945984055 /nfs/dbraw/zinc/98/40/55/945984055.db2.gz HGUKNZGBNMFWQI-NSHDSACASA-N -1 3 376.421 -0.672 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573467808 945987020 /nfs/dbraw/zinc/98/70/20/945987020.db2.gz IMDJLRJRRVWCGU-PJXYFTJBSA-N -1 3 388.407 -0.134 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001573467808 945987015 /nfs/dbraw/zinc/98/70/15/945987015.db2.gz IMDJLRJRRVWCGU-PJXYFTJBSA-N -1 3 388.407 -0.134 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573467837 945986671 /nfs/dbraw/zinc/98/66/71/945986671.db2.gz JFKHYXDQOMVUMF-NOZJJQNGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573467837 945986662 /nfs/dbraw/zinc/98/66/62/945986662.db2.gz JFKHYXDQOMVUMF-NOZJJQNGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573467838 945986099 /nfs/dbraw/zinc/98/60/99/945986099.db2.gz JFKHYXDQOMVUMF-RNCFNFMXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573467838 945986087 /nfs/dbraw/zinc/98/60/87/945986087.db2.gz JFKHYXDQOMVUMF-RNCFNFMXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573467839 945985779 /nfs/dbraw/zinc/98/57/79/945985779.db2.gz JFKHYXDQOMVUMF-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573467839 945985773 /nfs/dbraw/zinc/98/57/73/945985773.db2.gz JFKHYXDQOMVUMF-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001573467840 945986801 /nfs/dbraw/zinc/98/68/01/945986801.db2.gz JFKHYXDQOMVUMF-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001573467840 945986797 /nfs/dbraw/zinc/98/67/97/945986797.db2.gz JFKHYXDQOMVUMF-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573467843 945986765 /nfs/dbraw/zinc/98/67/65/945986765.db2.gz JGTQLTXHZRAIFZ-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573467843 945986759 /nfs/dbraw/zinc/98/67/59/945986759.db2.gz JGTQLTXHZRAIFZ-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573467844 945986930 /nfs/dbraw/zinc/98/69/30/945986930.db2.gz JGTQLTXHZRAIFZ-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573467844 945986927 /nfs/dbraw/zinc/98/69/27/945986927.db2.gz JGTQLTXHZRAIFZ-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573467845 945986361 /nfs/dbraw/zinc/98/63/61/945986361.db2.gz JGTQLTXHZRAIFZ-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573467845 945986348 /nfs/dbraw/zinc/98/63/48/945986348.db2.gz JGTQLTXHZRAIFZ-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573467846 945986166 /nfs/dbraw/zinc/98/61/66/945986166.db2.gz JGTQLTXHZRAIFZ-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573467846 945986152 /nfs/dbraw/zinc/98/61/52/945986152.db2.gz JGTQLTXHZRAIFZ-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573467999 945988433 /nfs/dbraw/zinc/98/84/33/945988433.db2.gz KEDGXLHRTFDPRX-GZMMTYOYSA-N -1 3 380.384 -0.843 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573467999 945988426 /nfs/dbraw/zinc/98/84/26/945988426.db2.gz KEDGXLHRTFDPRX-GZMMTYOYSA-N -1 3 380.384 -0.843 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573468000 945989299 /nfs/dbraw/zinc/98/92/99/945989299.db2.gz KEDGXLHRTFDPRX-KCJUWKMLSA-N -1 3 380.384 -0.843 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573468000 945989292 /nfs/dbraw/zinc/98/92/92/945989292.db2.gz KEDGXLHRTFDPRX-KCJUWKMLSA-N -1 3 380.384 -0.843 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573468001 945988456 /nfs/dbraw/zinc/98/84/56/945988456.db2.gz KEDGXLHRTFDPRX-KWQFWETISA-N -1 3 380.384 -0.843 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573468001 945988451 /nfs/dbraw/zinc/98/84/51/945988451.db2.gz KEDGXLHRTFDPRX-KWQFWETISA-N -1 3 380.384 -0.843 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573468003 945989365 /nfs/dbraw/zinc/98/93/65/945989365.db2.gz KEDGXLHRTFDPRX-LDYMZIIASA-N -1 3 380.384 -0.843 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573468003 945989356 /nfs/dbraw/zinc/98/93/56/945989356.db2.gz KEDGXLHRTFDPRX-LDYMZIIASA-N -1 3 380.384 -0.843 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573468012 945988085 /nfs/dbraw/zinc/98/80/85/945988085.db2.gz KFTGKTHTCFSTSK-PJXYFTJBSA-N -1 3 386.416 -0.704 20 0 GBADHM CC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573468012 945988080 /nfs/dbraw/zinc/98/80/80/945988080.db2.gz KFTGKTHTCFSTSK-PJXYFTJBSA-N -1 3 386.416 -0.704 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573468128 945991274 /nfs/dbraw/zinc/99/12/74/945991274.db2.gz KYGMQWKZTBODQQ-JTQLQIEISA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573468128 945991267 /nfs/dbraw/zinc/99/12/67/945991267.db2.gz KYGMQWKZTBODQQ-JTQLQIEISA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573468129 945990959 /nfs/dbraw/zinc/99/09/59/945990959.db2.gz KYGMQWKZTBODQQ-SNVBAGLBSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573468129 945990950 /nfs/dbraw/zinc/99/09/50/945990950.db2.gz KYGMQWKZTBODQQ-SNVBAGLBSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573468134 945992030 /nfs/dbraw/zinc/99/20/30/945992030.db2.gz LBXVRTUHSYPZFO-SECBINFHSA-N -1 3 380.384 -0.842 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573468134 945992024 /nfs/dbraw/zinc/99/20/24/945992024.db2.gz LBXVRTUHSYPZFO-SECBINFHSA-N -1 3 380.384 -0.842 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001573468135 945990728 /nfs/dbraw/zinc/99/07/28/945990728.db2.gz LBXVRTUHSYPZFO-VIFPVBQESA-N -1 3 380.384 -0.842 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001573468135 945990718 /nfs/dbraw/zinc/99/07/18/945990718.db2.gz LBXVRTUHSYPZFO-VIFPVBQESA-N -1 3 380.384 -0.842 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(CCO)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573468142 945990700 /nfs/dbraw/zinc/99/07/00/945990700.db2.gz LCYRSTQGIVJGNO-SECBINFHSA-N -1 3 382.450 -0.611 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(CCO)CCNc1snc(C)c1-c1nnn[n-]1 ZINC001573468143 945990212 /nfs/dbraw/zinc/99/02/12/945990212.db2.gz LCYRSTQGIVJGNO-VIFPVBQESA-N -1 3 382.450 -0.611 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573468226 945991597 /nfs/dbraw/zinc/99/15/97/945991597.db2.gz LYSIHMRGGRLSLX-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573468226 945991585 /nfs/dbraw/zinc/99/15/85/945991585.db2.gz LYSIHMRGGRLSLX-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573468228 945991632 /nfs/dbraw/zinc/99/16/32/945991632.db2.gz LYSIHMRGGRLSLX-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573468228 945991622 /nfs/dbraw/zinc/99/16/22/945991622.db2.gz LYSIHMRGGRLSLX-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573468230 945991076 /nfs/dbraw/zinc/99/10/76/945991076.db2.gz LYSIHMRGGRLSLX-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573468230 945991070 /nfs/dbraw/zinc/99/10/70/945991070.db2.gz LYSIHMRGGRLSLX-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573468232 945993596 /nfs/dbraw/zinc/99/35/96/945993596.db2.gz LYSIHMRGGRLSLX-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573468232 945993592 /nfs/dbraw/zinc/99/35/92/945993592.db2.gz LYSIHMRGGRLSLX-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573468248 945993964 /nfs/dbraw/zinc/99/39/64/945993964.db2.gz MAUQRYOUQGUQSI-BXKDBHETSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573468248 945993959 /nfs/dbraw/zinc/99/39/59/945993959.db2.gz MAUQRYOUQGUQSI-BXKDBHETSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573468251 945993428 /nfs/dbraw/zinc/99/34/28/945993428.db2.gz MAUQRYOUQGUQSI-CABZTGNLSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573468251 945993422 /nfs/dbraw/zinc/99/34/22/945993422.db2.gz MAUQRYOUQGUQSI-CABZTGNLSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573468253 945993541 /nfs/dbraw/zinc/99/35/41/945993541.db2.gz MAUQRYOUQGUQSI-JOYOIKCWSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573468253 945993533 /nfs/dbraw/zinc/99/35/33/945993533.db2.gz MAUQRYOUQGUQSI-JOYOIKCWSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573468255 945993524 /nfs/dbraw/zinc/99/35/24/945993524.db2.gz MAUQRYOUQGUQSI-SKDRFNHKSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573468255 945993518 /nfs/dbraw/zinc/99/35/18/945993518.db2.gz MAUQRYOUQGUQSI-SKDRFNHKSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573468274 945992987 /nfs/dbraw/zinc/99/29/87/945992987.db2.gz MEICICCXDRIKKD-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573468274 945992980 /nfs/dbraw/zinc/99/29/80/945992980.db2.gz MEICICCXDRIKKD-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573468275 945993273 /nfs/dbraw/zinc/99/32/73/945993273.db2.gz MEICICCXDRIKKD-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573468275 945993267 /nfs/dbraw/zinc/99/32/67/945993267.db2.gz MEICICCXDRIKKD-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573468277 945992647 /nfs/dbraw/zinc/99/26/47/945992647.db2.gz MEICICCXDRIKKD-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573468277 945992637 /nfs/dbraw/zinc/99/26/37/945992637.db2.gz MEICICCXDRIKKD-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573468323 945994008 /nfs/dbraw/zinc/99/40/08/945994008.db2.gz MEICICCXDRIKKD-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573468323 945994001 /nfs/dbraw/zinc/99/40/01/945994001.db2.gz MEICICCXDRIKKD-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573468379 945993983 /nfs/dbraw/zinc/99/39/83/945993983.db2.gz NNEWWLDGIOHFOT-AAEUAGOBSA-N -1 3 390.448 -0.650 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573468379 945993980 /nfs/dbraw/zinc/99/39/80/945993980.db2.gz NNEWWLDGIOHFOT-AAEUAGOBSA-N -1 3 390.448 -0.650 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573468380 945993919 /nfs/dbraw/zinc/99/39/19/945993919.db2.gz NNEWWLDGIOHFOT-DGCLKSJQSA-N -1 3 390.448 -0.650 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573468380 945993913 /nfs/dbraw/zinc/99/39/13/945993913.db2.gz NNEWWLDGIOHFOT-DGCLKSJQSA-N -1 3 390.448 -0.650 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nc(C)ccc1-c1nn[n-]n1 ZINC001573468381 945995646 /nfs/dbraw/zinc/99/56/46/945995646.db2.gz NNEWWLDGIOHFOT-WCQYABFASA-N -1 3 390.448 -0.650 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1nc(C)ccc1-c1nnn[n-]1 ZINC001573468381 945995645 /nfs/dbraw/zinc/99/56/45/945995645.db2.gz NNEWWLDGIOHFOT-WCQYABFASA-N -1 3 390.448 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CC(=O)N[C@H](C)C(=O)N(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573469441 946008033 /nfs/dbraw/zinc/00/80/33/946008033.db2.gz WBLQDEFBWSWJLJ-OTYXRUKQSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573469441 946008027 /nfs/dbraw/zinc/00/80/27/946008027.db2.gz WBLQDEFBWSWJLJ-OTYXRUKQSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573469442 946007752 /nfs/dbraw/zinc/00/77/52/946007752.db2.gz WBLQDEFBWSWJLJ-XPTSAGLGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573469442 946007744 /nfs/dbraw/zinc/00/77/44/946007744.db2.gz WBLQDEFBWSWJLJ-XPTSAGLGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573469443 946007657 /nfs/dbraw/zinc/00/76/57/946007657.db2.gz WBLQDEFBWSWJLJ-YMTOWFKASA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573469443 946007648 /nfs/dbraw/zinc/00/76/48/946007648.db2.gz WBLQDEFBWSWJLJ-YMTOWFKASA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573469681 946008324 /nfs/dbraw/zinc/00/83/24/946008324.db2.gz WMSRHKOSKWUWAW-GWCFXTLKSA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573469681 946008317 /nfs/dbraw/zinc/00/83/17/946008317.db2.gz WMSRHKOSKWUWAW-GWCFXTLKSA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573469683 946007963 /nfs/dbraw/zinc/00/79/63/946007963.db2.gz WMSRHKOSKWUWAW-GXFFZTMASA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573469683 946007955 /nfs/dbraw/zinc/00/79/55/946007955.db2.gz WMSRHKOSKWUWAW-GXFFZTMASA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573469685 946009316 /nfs/dbraw/zinc/00/93/16/946009316.db2.gz WMSRHKOSKWUWAW-MFKMUULPSA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573469685 946009306 /nfs/dbraw/zinc/00/93/06/946009306.db2.gz WMSRHKOSKWUWAW-MFKMUULPSA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573469687 946007913 /nfs/dbraw/zinc/00/79/13/946007913.db2.gz WMSRHKOSKWUWAW-ZWNOBZJWSA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573469687 946007906 /nfs/dbraw/zinc/00/79/06/946007906.db2.gz WMSRHKOSKWUWAW-ZWNOBZJWSA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573469697 946009034 /nfs/dbraw/zinc/00/90/34/946009034.db2.gz WUZNNGDEPHOHJG-CMPLNLGQSA-N -1 3 376.421 -0.674 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573469697 946009024 /nfs/dbraw/zinc/00/90/24/946009024.db2.gz WUZNNGDEPHOHJG-CMPLNLGQSA-N -1 3 376.421 -0.674 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573469698 946008090 /nfs/dbraw/zinc/00/80/90/946008090.db2.gz WUZNNGDEPHOHJG-JQWIXIFHSA-N -1 3 376.421 -0.674 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573469698 946008081 /nfs/dbraw/zinc/00/80/81/946008081.db2.gz WUZNNGDEPHOHJG-JQWIXIFHSA-N -1 3 376.421 -0.674 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573469699 946007596 /nfs/dbraw/zinc/00/75/96/946007596.db2.gz WUZNNGDEPHOHJG-PWSUYJOCSA-N -1 3 376.421 -0.674 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573469699 946007593 /nfs/dbraw/zinc/00/75/93/946007593.db2.gz WUZNNGDEPHOHJG-PWSUYJOCSA-N -1 3 376.421 -0.674 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573469701 946008197 /nfs/dbraw/zinc/00/81/97/946008197.db2.gz WUZNNGDEPHOHJG-ZYHUDNBSSA-N -1 3 376.421 -0.674 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573469701 946008187 /nfs/dbraw/zinc/00/81/87/946008187.db2.gz WUZNNGDEPHOHJG-ZYHUDNBSSA-N -1 3 376.421 -0.674 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573469712 946008425 /nfs/dbraw/zinc/00/84/25/946008425.db2.gz WYSSARAEQYXRSN-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573469712 946008412 /nfs/dbraw/zinc/00/84/12/946008412.db2.gz WYSSARAEQYXRSN-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573469715 946007985 /nfs/dbraw/zinc/00/79/85/946007985.db2.gz WYSSARAEQYXRSN-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573469715 946007978 /nfs/dbraw/zinc/00/79/78/946007978.db2.gz WYSSARAEQYXRSN-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573469718 946008719 /nfs/dbraw/zinc/00/87/19/946008719.db2.gz WYSSARAEQYXRSN-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573469718 946008708 /nfs/dbraw/zinc/00/87/08/946008708.db2.gz WYSSARAEQYXRSN-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573469720 946009132 /nfs/dbraw/zinc/00/91/32/946009132.db2.gz WYSSARAEQYXRSN-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573469720 946009120 /nfs/dbraw/zinc/00/91/20/946009120.db2.gz WYSSARAEQYXRSN-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573469734 946009258 /nfs/dbraw/zinc/00/92/58/946009258.db2.gz XEUMWKWYNRAFLP-PSASIEDQSA-N -1 3 382.450 -0.613 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573469735 946008291 /nfs/dbraw/zinc/00/82/91/946008291.db2.gz XEUMWKWYNRAFLP-SCZZXKLOSA-N -1 3 382.450 -0.613 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573469736 946007866 /nfs/dbraw/zinc/00/78/66/946007866.db2.gz XEUMWKWYNRAFLP-WCBMZHEXSA-N -1 3 382.450 -0.613 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CNc1snc(C)c1-c1nnn[n-]1 ZINC001573469737 946010469 /nfs/dbraw/zinc/01/04/69/946010469.db2.gz XEUMWKWYNRAFLP-WPRPVWTQSA-N -1 3 382.450 -0.613 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573469856 946009979 /nfs/dbraw/zinc/00/99/79/946009979.db2.gz YCQUXEGBZMFOQC-GWCFXTLKSA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573469856 946009973 /nfs/dbraw/zinc/00/99/73/946009973.db2.gz YCQUXEGBZMFOQC-GWCFXTLKSA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573469857 946010120 /nfs/dbraw/zinc/01/01/20/946010120.db2.gz YCQUXEGBZMFOQC-GXFFZTMASA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573469857 946010111 /nfs/dbraw/zinc/01/01/11/946010111.db2.gz YCQUXEGBZMFOQC-GXFFZTMASA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573469858 946011485 /nfs/dbraw/zinc/01/14/85/946011485.db2.gz YCQUXEGBZMFOQC-MFKMUULPSA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573469858 946011473 /nfs/dbraw/zinc/01/14/73/946011473.db2.gz YCQUXEGBZMFOQC-MFKMUULPSA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573469859 946010871 /nfs/dbraw/zinc/01/08/71/946010871.db2.gz YCQUXEGBZMFOQC-ZWNOBZJWSA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573469859 946010854 /nfs/dbraw/zinc/01/08/54/946010854.db2.gz YCQUXEGBZMFOQC-ZWNOBZJWSA-N -1 3 376.421 -0.958 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573469905 946012124 /nfs/dbraw/zinc/01/21/24/946012124.db2.gz ABSRNNNHVJVYDZ-CMPLNLGQSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573469905 946012113 /nfs/dbraw/zinc/01/21/13/946012113.db2.gz ABSRNNNHVJVYDZ-CMPLNLGQSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573469906 946010587 /nfs/dbraw/zinc/01/05/87/946010587.db2.gz ABSRNNNHVJVYDZ-JQWIXIFHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573469906 946010574 /nfs/dbraw/zinc/01/05/74/946010574.db2.gz ABSRNNNHVJVYDZ-JQWIXIFHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573469907 946011586 /nfs/dbraw/zinc/01/15/86/946011586.db2.gz ABSRNNNHVJVYDZ-PWSUYJOCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573469907 946011576 /nfs/dbraw/zinc/01/15/76/946011576.db2.gz ABSRNNNHVJVYDZ-PWSUYJOCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573469908 946010938 /nfs/dbraw/zinc/01/09/38/946010938.db2.gz ABSRNNNHVJVYDZ-ZYHUDNBSSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573469908 946010928 /nfs/dbraw/zinc/01/09/28/946010928.db2.gz ABSRNNNHVJVYDZ-ZYHUDNBSSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573469968 946013544 /nfs/dbraw/zinc/01/35/44/946013544.db2.gz APPQGJJPQIKINH-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573469968 946013533 /nfs/dbraw/zinc/01/35/33/946013533.db2.gz APPQGJJPQIKINH-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573469972 946014086 /nfs/dbraw/zinc/01/40/86/946014086.db2.gz APPQGJJPQIKINH-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573469972 946014074 /nfs/dbraw/zinc/01/40/74/946014074.db2.gz APPQGJJPQIKINH-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573470095 946016174 /nfs/dbraw/zinc/01/61/74/946016174.db2.gz BEJZUFDAUYTBPI-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573470095 946016169 /nfs/dbraw/zinc/01/61/69/946016169.db2.gz BEJZUFDAUYTBPI-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573470096 946017543 /nfs/dbraw/zinc/01/75/43/946017543.db2.gz BEJZUFDAUYTBPI-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573470096 946017532 /nfs/dbraw/zinc/01/75/32/946017532.db2.gz BEJZUFDAUYTBPI-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573470097 946017716 /nfs/dbraw/zinc/01/77/16/946017716.db2.gz BEJZUFDAUYTBPI-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573470097 946017710 /nfs/dbraw/zinc/01/77/10/946017710.db2.gz BEJZUFDAUYTBPI-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573470098 946017317 /nfs/dbraw/zinc/01/73/17/946017317.db2.gz BEJZUFDAUYTBPI-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573470098 946017303 /nfs/dbraw/zinc/01/73/03/946017303.db2.gz BEJZUFDAUYTBPI-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573470281 946018564 /nfs/dbraw/zinc/01/85/64/946018564.db2.gz CFLAEEXOBDMLBS-JTQLQIEISA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573470281 946018555 /nfs/dbraw/zinc/01/85/55/946018555.db2.gz CFLAEEXOBDMLBS-JTQLQIEISA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573470282 946019420 /nfs/dbraw/zinc/01/94/20/946019420.db2.gz CFLAEEXOBDMLBS-SNVBAGLBSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573470282 946019416 /nfs/dbraw/zinc/01/94/16/946019416.db2.gz CFLAEEXOBDMLBS-SNVBAGLBSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573470317 946019527 /nfs/dbraw/zinc/01/95/27/946019527.db2.gz CUBLTRWJEMYURZ-JTQLQIEISA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573470317 946019514 /nfs/dbraw/zinc/01/95/14/946019514.db2.gz CUBLTRWJEMYURZ-JTQLQIEISA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573470318 946020600 /nfs/dbraw/zinc/02/06/00/946020600.db2.gz CUBLTRWJEMYURZ-SNVBAGLBSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573470318 946020596 /nfs/dbraw/zinc/02/05/96/946020596.db2.gz CUBLTRWJEMYURZ-SNVBAGLBSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573470349 946021143 /nfs/dbraw/zinc/02/11/43/946021143.db2.gz DBLQGINVWIRBDG-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573470349 946021133 /nfs/dbraw/zinc/02/11/33/946021133.db2.gz DBLQGINVWIRBDG-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573470350 946023041 /nfs/dbraw/zinc/02/30/41/946023041.db2.gz DBLQGINVWIRBDG-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573470350 946023028 /nfs/dbraw/zinc/02/30/28/946023028.db2.gz DBLQGINVWIRBDG-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573470423 946025294 /nfs/dbraw/zinc/02/52/94/946025294.db2.gz FDFDQLJIMNCDQG-JLLWLGSASA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573470423 946025281 /nfs/dbraw/zinc/02/52/81/946025281.db2.gz FDFDQLJIMNCDQG-JLLWLGSASA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573470424 946025692 /nfs/dbraw/zinc/02/56/92/946025692.db2.gz FDFDQLJIMNCDQG-ZMLRMANQSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573470424 946025685 /nfs/dbraw/zinc/02/56/85/946025685.db2.gz FDFDQLJIMNCDQG-ZMLRMANQSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573470433 946026242 /nfs/dbraw/zinc/02/62/42/946026242.db2.gz FDRRTVAHFGGPBO-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573470433 946026233 /nfs/dbraw/zinc/02/62/33/946026233.db2.gz FDRRTVAHFGGPBO-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573470434 946025069 /nfs/dbraw/zinc/02/50/69/946025069.db2.gz FDRRTVAHFGGPBO-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573470434 946025060 /nfs/dbraw/zinc/02/50/60/946025060.db2.gz FDRRTVAHFGGPBO-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573470435 946024599 /nfs/dbraw/zinc/02/45/99/946024599.db2.gz FDRRTVAHFGGPBO-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573470435 946024586 /nfs/dbraw/zinc/02/45/86/946024586.db2.gz FDRRTVAHFGGPBO-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573470436 946025746 /nfs/dbraw/zinc/02/57/46/946025746.db2.gz FDRRTVAHFGGPBO-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573470436 946025740 /nfs/dbraw/zinc/02/57/40/946025740.db2.gz FDRRTVAHFGGPBO-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573470447 946024989 /nfs/dbraw/zinc/02/49/89/946024989.db2.gz FGKQFUZJVSSPAV-JTQLQIEISA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573470447 946024977 /nfs/dbraw/zinc/02/49/77/946024977.db2.gz FGKQFUZJVSSPAV-JTQLQIEISA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573470448 946024251 /nfs/dbraw/zinc/02/42/51/946024251.db2.gz FGKQFUZJVSSPAV-SNVBAGLBSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573470448 946024239 /nfs/dbraw/zinc/02/42/39/946024239.db2.gz FGKQFUZJVSSPAV-SNVBAGLBSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573470495 946027721 /nfs/dbraw/zinc/02/77/21/946027721.db2.gz FWRLEUFUWGTHQU-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573470495 946027713 /nfs/dbraw/zinc/02/77/13/946027713.db2.gz FWRLEUFUWGTHQU-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573470496 946027543 /nfs/dbraw/zinc/02/75/43/946027543.db2.gz FWRLEUFUWGTHQU-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573470496 946027533 /nfs/dbraw/zinc/02/75/33/946027533.db2.gz FWRLEUFUWGTHQU-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573470497 946027345 /nfs/dbraw/zinc/02/73/45/946027345.db2.gz FWRLEUFUWGTHQU-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573470497 946027332 /nfs/dbraw/zinc/02/73/32/946027332.db2.gz FWRLEUFUWGTHQU-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573470498 946028424 /nfs/dbraw/zinc/02/84/24/946028424.db2.gz FWRLEUFUWGTHQU-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573470498 946028411 /nfs/dbraw/zinc/02/84/11/946028411.db2.gz FWRLEUFUWGTHQU-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573470530 946028850 /nfs/dbraw/zinc/02/88/50/946028850.db2.gz GMXSCVKHFMXZOZ-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573470530 946028837 /nfs/dbraw/zinc/02/88/37/946028837.db2.gz GMXSCVKHFMXZOZ-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573470531 946027579 /nfs/dbraw/zinc/02/75/79/946027579.db2.gz GMXSCVKHFMXZOZ-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573470531 946027566 /nfs/dbraw/zinc/02/75/66/946027566.db2.gz GMXSCVKHFMXZOZ-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573470602 946031145 /nfs/dbraw/zinc/03/11/45/946031145.db2.gz HQBAZSZDRHAADB-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573470602 946031138 /nfs/dbraw/zinc/03/11/38/946031138.db2.gz HQBAZSZDRHAADB-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573470603 946029953 /nfs/dbraw/zinc/02/99/53/946029953.db2.gz HQBAZSZDRHAADB-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573470603 946029942 /nfs/dbraw/zinc/02/99/42/946029942.db2.gz HQBAZSZDRHAADB-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM 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CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573471141 946043145 /nfs/dbraw/zinc/04/31/45/946043145.db2.gz MNAXQJQYBGWOMV-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573471150 946042817 /nfs/dbraw/zinc/04/28/17/946042817.db2.gz MQAUQSWCHIMXPR-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573471150 946042803 /nfs/dbraw/zinc/04/28/03/946042803.db2.gz MQAUQSWCHIMXPR-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573471151 946041851 /nfs/dbraw/zinc/04/18/51/946041851.db2.gz MQAUQSWCHIMXPR-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573471151 946041838 /nfs/dbraw/zinc/04/18/38/946041838.db2.gz MQAUQSWCHIMXPR-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573471152 946041953 /nfs/dbraw/zinc/04/19/53/946041953.db2.gz MQAUQSWCHIMXPR-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573471152 946041943 /nfs/dbraw/zinc/04/19/43/946041943.db2.gz MQAUQSWCHIMXPR-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573471153 946042080 /nfs/dbraw/zinc/04/20/80/946042080.db2.gz MQAUQSWCHIMXPR-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573471153 946042067 /nfs/dbraw/zinc/04/20/67/946042067.db2.gz MQAUQSWCHIMXPR-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573471213 946045388 /nfs/dbraw/zinc/04/53/88/946045388.db2.gz NETNTWFSAAUBNM-BXKDBHETSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573471213 946045375 /nfs/dbraw/zinc/04/53/75/946045375.db2.gz NETNTWFSAAUBNM-BXKDBHETSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573471215 946045429 /nfs/dbraw/zinc/04/54/29/946045429.db2.gz NETNTWFSAAUBNM-CABZTGNLSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573471215 946045416 /nfs/dbraw/zinc/04/54/16/946045416.db2.gz NETNTWFSAAUBNM-CABZTGNLSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573471218 946047348 /nfs/dbraw/zinc/04/73/48/946047348.db2.gz NETNTWFSAAUBNM-JOYOIKCWSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573471218 946047336 /nfs/dbraw/zinc/04/73/36/946047336.db2.gz NETNTWFSAAUBNM-JOYOIKCWSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573471220 946047811 /nfs/dbraw/zinc/04/78/11/946047811.db2.gz NETNTWFSAAUBNM-SKDRFNHKSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573471220 946047798 /nfs/dbraw/zinc/04/77/98/946047798.db2.gz NETNTWFSAAUBNM-SKDRFNHKSA-N -1 3 376.396 -0.038 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573471248 946046068 /nfs/dbraw/zinc/04/60/68/946046068.db2.gz NKCXLMQQQABFQV-JTQLQIEISA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573471248 946046055 /nfs/dbraw/zinc/04/60/55/946046055.db2.gz NKCXLMQQQABFQV-JTQLQIEISA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573471249 946048006 /nfs/dbraw/zinc/04/80/06/946048006.db2.gz NKCXLMQQQABFQV-SNVBAGLBSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC2(C1)CCN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573471249 946047993 /nfs/dbraw/zinc/04/79/93/946047993.db2.gz NKCXLMQQQABFQV-SNVBAGLBSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573471254 946045101 /nfs/dbraw/zinc/04/51/01/946045101.db2.gz NOUPUCUNBFZFBB-APPDUMDISA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573471254 946045087 /nfs/dbraw/zinc/04/50/87/946045087.db2.gz NOUPUCUNBFZFBB-APPDUMDISA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573471255 946045604 /nfs/dbraw/zinc/04/56/04/946045604.db2.gz NOUPUCUNBFZFBB-DIFFPNOSSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573471255 946045591 /nfs/dbraw/zinc/04/55/91/946045591.db2.gz NOUPUCUNBFZFBB-DIFFPNOSSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573471256 946045682 /nfs/dbraw/zinc/04/56/82/946045682.db2.gz NOUPUCUNBFZFBB-GTNSWQLSSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573471256 946045669 /nfs/dbraw/zinc/04/56/69/946045669.db2.gz NOUPUCUNBFZFBB-GTNSWQLSSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573471257 946045306 /nfs/dbraw/zinc/04/53/06/946045306.db2.gz NOUPUCUNBFZFBB-PIGZYNQJSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573471257 946045294 /nfs/dbraw/zinc/04/52/94/946045294.db2.gz NOUPUCUNBFZFBB-PIGZYNQJSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573471394 946049075 /nfs/dbraw/zinc/04/90/75/946049075.db2.gz OPORTLUSVFBUBT-JTQLQIEISA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573471394 946049061 /nfs/dbraw/zinc/04/90/61/946049061.db2.gz OPORTLUSVFBUBT-JTQLQIEISA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)C1 ZINC001573471395 946048399 /nfs/dbraw/zinc/04/83/99/946048399.db2.gz OPORTLUSVFBUBT-SNVBAGLBSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC2(CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)C1 ZINC001573471395 946048387 /nfs/dbraw/zinc/04/83/87/946048387.db2.gz OPORTLUSVFBUBT-SNVBAGLBSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573471428 946050829 /nfs/dbraw/zinc/05/08/29/946050829.db2.gz OXQLKWICIKFCJE-TVYUQYBPSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573471428 946050818 /nfs/dbraw/zinc/05/08/18/946050818.db2.gz OXQLKWICIKFCJE-TVYUQYBPSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573471430 946049277 /nfs/dbraw/zinc/04/92/77/946049277.db2.gz OXQLKWICIKFCJE-WQAKAFBOSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573471430 946049265 /nfs/dbraw/zinc/04/92/65/946049265.db2.gz OXQLKWICIKFCJE-WQAKAFBOSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573471562 946052501 /nfs/dbraw/zinc/05/25/01/946052501.db2.gz PMILMVSYEKTMGV-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H](CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573471562 946052478 /nfs/dbraw/zinc/05/24/78/946052478.db2.gz PMILMVSYEKTMGV-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573471564 946052725 /nfs/dbraw/zinc/05/27/25/946052725.db2.gz PMILMVSYEKTMGV-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573471564 946052713 /nfs/dbraw/zinc/05/27/13/946052713.db2.gz PMILMVSYEKTMGV-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573471566 946053115 /nfs/dbraw/zinc/05/31/15/946053115.db2.gz PMILMVSYEKTMGV-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573471566 946053103 /nfs/dbraw/zinc/05/31/03/946053103.db2.gz PMILMVSYEKTMGV-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573471568 946052309 /nfs/dbraw/zinc/05/23/09/946052309.db2.gz PMILMVSYEKTMGV-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573471568 946052298 /nfs/dbraw/zinc/05/22/98/946052298.db2.gz PMILMVSYEKTMGV-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573471598 946053154 /nfs/dbraw/zinc/05/31/54/946053154.db2.gz PQOWMHBBHIEFNM-STRQVWJDSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001573471598 946053143 /nfs/dbraw/zinc/05/31/43/946053143.db2.gz PQOWMHBBHIEFNM-STRQVWJDSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573471600 946053261 /nfs/dbraw/zinc/05/32/61/946053261.db2.gz PQOWMHBBHIEFNM-ZBPZKIAKSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001573471600 946053247 /nfs/dbraw/zinc/05/32/47/946053247.db2.gz PQOWMHBBHIEFNM-ZBPZKIAKSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573471732 946055052 /nfs/dbraw/zinc/05/50/52/946055052.db2.gz QQKFKPFUAOPHFF-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573471732 946055039 /nfs/dbraw/zinc/05/50/39/946055039.db2.gz QQKFKPFUAOPHFF-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573471737 946055468 /nfs/dbraw/zinc/05/54/68/946055468.db2.gz QQKFKPFUAOPHFF-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573471737 946055456 /nfs/dbraw/zinc/05/54/56/946055456.db2.gz QQKFKPFUAOPHFF-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573471740 946055428 /nfs/dbraw/zinc/05/54/28/946055428.db2.gz QQKFKPFUAOPHFF-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573471740 946055424 /nfs/dbraw/zinc/05/54/24/946055424.db2.gz QQKFKPFUAOPHFF-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573471742 946055242 /nfs/dbraw/zinc/05/52/42/946055242.db2.gz QQKFKPFUAOPHFF-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573471742 946055233 /nfs/dbraw/zinc/05/52/33/946055233.db2.gz QQKFKPFUAOPHFF-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573471819 946054365 /nfs/dbraw/zinc/05/43/65/946054365.db2.gz RMWCTIFJRWCNOJ-HKWIRBFKSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573471819 946054353 /nfs/dbraw/zinc/05/43/53/946054353.db2.gz RMWCTIFJRWCNOJ-HKWIRBFKSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573471820 946056634 /nfs/dbraw/zinc/05/66/34/946056634.db2.gz RMWCTIFJRWCNOJ-PDEGPIFNSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573471820 946056619 /nfs/dbraw/zinc/05/66/19/946056619.db2.gz RMWCTIFJRWCNOJ-PDEGPIFNSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573471882 946058723 /nfs/dbraw/zinc/05/87/23/946058723.db2.gz RTDRJFSMFHPASR-JTQLQIEISA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573471882 946058710 /nfs/dbraw/zinc/05/87/10/946058710.db2.gz RTDRJFSMFHPASR-JTQLQIEISA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC2(CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C1 ZINC001573471886 946057685 /nfs/dbraw/zinc/05/76/85/946057685.db2.gz RTDRJFSMFHPASR-SNVBAGLBSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC2(CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C1 ZINC001573471886 946057673 /nfs/dbraw/zinc/05/76/73/946057673.db2.gz RTDRJFSMFHPASR-SNVBAGLBSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573471908 946058331 /nfs/dbraw/zinc/05/83/31/946058331.db2.gz RVEWPPMLOSTBGF-JTQLQIEISA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573471908 946058317 /nfs/dbraw/zinc/05/83/17/946058317.db2.gz RVEWPPMLOSTBGF-JTQLQIEISA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573471909 946059516 /nfs/dbraw/zinc/05/95/16/946059516.db2.gz RVEWPPMLOSTBGF-SNVBAGLBSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573471909 946059505 /nfs/dbraw/zinc/05/95/05/946059505.db2.gz RVEWPPMLOSTBGF-SNVBAGLBSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573471922 946059036 /nfs/dbraw/zinc/05/90/36/946059036.db2.gz SDRIPSLCAKKQGZ-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573471922 946059023 /nfs/dbraw/zinc/05/90/23/946059023.db2.gz SDRIPSLCAKKQGZ-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573471923 946058394 /nfs/dbraw/zinc/05/83/94/946058394.db2.gz SDRIPSLCAKKQGZ-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573471923 946058381 /nfs/dbraw/zinc/05/83/81/946058381.db2.gz SDRIPSLCAKKQGZ-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573471924 946057395 /nfs/dbraw/zinc/05/73/95/946057395.db2.gz SDRIPSLCAKKQGZ-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573471924 946057380 /nfs/dbraw/zinc/05/73/80/946057380.db2.gz SDRIPSLCAKKQGZ-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573471925 946057130 /nfs/dbraw/zinc/05/71/30/946057130.db2.gz SDRIPSLCAKKQGZ-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573471925 946057117 /nfs/dbraw/zinc/05/71/17/946057117.db2.gz SDRIPSLCAKKQGZ-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573472144 946062820 /nfs/dbraw/zinc/06/28/20/946062820.db2.gz SURFAHPAAZQLID-JTQLQIEISA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573472144 946062809 /nfs/dbraw/zinc/06/28/09/946062809.db2.gz SURFAHPAAZQLID-JTQLQIEISA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573472145 946060973 /nfs/dbraw/zinc/06/09/73/946060973.db2.gz SURFAHPAAZQLID-SNVBAGLBSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573472145 946060960 /nfs/dbraw/zinc/06/09/60/946060960.db2.gz SURFAHPAAZQLID-SNVBAGLBSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573472152 946060438 /nfs/dbraw/zinc/06/04/38/946060438.db2.gz SYDLYKFGOWEAAZ-GWCFXTLKSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573472152 946060434 /nfs/dbraw/zinc/06/04/34/946060434.db2.gz SYDLYKFGOWEAAZ-GWCFXTLKSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573472153 946061630 /nfs/dbraw/zinc/06/16/30/946061630.db2.gz SYDLYKFGOWEAAZ-GXFFZTMASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573472153 946061620 /nfs/dbraw/zinc/06/16/20/946061620.db2.gz SYDLYKFGOWEAAZ-GXFFZTMASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573472154 946059899 /nfs/dbraw/zinc/05/98/99/946059899.db2.gz SYDLYKFGOWEAAZ-MFKMUULPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573472154 946059891 /nfs/dbraw/zinc/05/98/91/946059891.db2.gz SYDLYKFGOWEAAZ-MFKMUULPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573472155 946059955 /nfs/dbraw/zinc/05/99/55/946059955.db2.gz SYDLYKFGOWEAAZ-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573472155 946059943 /nfs/dbraw/zinc/05/99/43/946059943.db2.gz SYDLYKFGOWEAAZ-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573472168 946061431 /nfs/dbraw/zinc/06/14/31/946061431.db2.gz UFHRFOIDLRGNLN-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573472168 946061421 /nfs/dbraw/zinc/06/14/21/946061421.db2.gz UFHRFOIDLRGNLN-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573472169 946060247 /nfs/dbraw/zinc/06/02/47/946060247.db2.gz UFHRFOIDLRGNLN-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573472169 946060236 /nfs/dbraw/zinc/06/02/36/946060236.db2.gz UFHRFOIDLRGNLN-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573472170 946062017 /nfs/dbraw/zinc/06/20/17/946062017.db2.gz UFHRFOIDLRGNLN-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573472170 946062000 /nfs/dbraw/zinc/06/20/00/946062000.db2.gz UFHRFOIDLRGNLN-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573472171 946062258 /nfs/dbraw/zinc/06/22/58/946062258.db2.gz UFHRFOIDLRGNLN-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573472171 946062246 /nfs/dbraw/zinc/06/22/46/946062246.db2.gz UFHRFOIDLRGNLN-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573472184 946061365 /nfs/dbraw/zinc/06/13/65/946061365.db2.gz UKGXSLFPZZINDU-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573472184 946061356 /nfs/dbraw/zinc/06/13/56/946061356.db2.gz UKGXSLFPZZINDU-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573472185 946062465 /nfs/dbraw/zinc/06/24/65/946062465.db2.gz UKGXSLFPZZINDU-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573472185 946062453 /nfs/dbraw/zinc/06/24/53/946062453.db2.gz UKGXSLFPZZINDU-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573472186 946062853 /nfs/dbraw/zinc/06/28/53/946062853.db2.gz UKGXSLFPZZINDU-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573472186 946062842 /nfs/dbraw/zinc/06/28/42/946062842.db2.gz UKGXSLFPZZINDU-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573472187 946060778 /nfs/dbraw/zinc/06/07/78/946060778.db2.gz UKGXSLFPZZINDU-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573472187 946060771 /nfs/dbraw/zinc/06/07/71/946060771.db2.gz UKGXSLFPZZINDU-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573472636 946068309 /nfs/dbraw/zinc/06/83/09/946068309.db2.gz WTMVALSIVFAQRE-JTQLQIEISA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573472636 946068294 /nfs/dbraw/zinc/06/82/94/946068294.db2.gz WTMVALSIVFAQRE-JTQLQIEISA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573472637 946068201 /nfs/dbraw/zinc/06/82/01/946068201.db2.gz WTMVALSIVFAQRE-SNVBAGLBSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573472637 946068188 /nfs/dbraw/zinc/06/81/88/946068188.db2.gz WTMVALSIVFAQRE-SNVBAGLBSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573472646 946068164 /nfs/dbraw/zinc/06/81/64/946068164.db2.gz WXLVUVGWDIPKKI-GWCFXTLKSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573472646 946068152 /nfs/dbraw/zinc/06/81/52/946068152.db2.gz WXLVUVGWDIPKKI-GWCFXTLKSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573472647 946066179 /nfs/dbraw/zinc/06/61/79/946066179.db2.gz WXLVUVGWDIPKKI-GXFFZTMASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573472647 946066170 /nfs/dbraw/zinc/06/61/70/946066170.db2.gz WXLVUVGWDIPKKI-GXFFZTMASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573472648 946067055 /nfs/dbraw/zinc/06/70/55/946067055.db2.gz WXLVUVGWDIPKKI-MFKMUULPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573472648 946067048 /nfs/dbraw/zinc/06/70/48/946067048.db2.gz WXLVUVGWDIPKKI-MFKMUULPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573472649 946067374 /nfs/dbraw/zinc/06/73/74/946067374.db2.gz WXLVUVGWDIPKKI-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573472649 946067363 /nfs/dbraw/zinc/06/73/63/946067363.db2.gz WXLVUVGWDIPKKI-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(O)(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573472704 946070610 /nfs/dbraw/zinc/07/06/10/946070610.db2.gz XTEUNDIBBWAOSA-LLVKDONJSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC(O)(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573472704 946070596 /nfs/dbraw/zinc/07/05/96/946070596.db2.gz XTEUNDIBBWAOSA-LLVKDONJSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(O)(CNc2ncccc2-c2nn[n-]n2)CC1 ZINC001573472705 946071851 /nfs/dbraw/zinc/07/18/51/946071851.db2.gz XTEUNDIBBWAOSA-NSHDSACASA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC(O)(CNc2ncccc2-c2nnn[n-]2)CC1 ZINC001573472705 946071839 /nfs/dbraw/zinc/07/18/39/946071839.db2.gz XTEUNDIBBWAOSA-NSHDSACASA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573472908 946069507 /nfs/dbraw/zinc/06/95/07/946069507.db2.gz XTUGLOGXBIONHK-APPDUMDISA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573472908 946069492 /nfs/dbraw/zinc/06/94/92/946069492.db2.gz XTUGLOGXBIONHK-APPDUMDISA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573472909 946070916 /nfs/dbraw/zinc/07/09/16/946070916.db2.gz XTUGLOGXBIONHK-DIFFPNOSSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573472909 946070899 /nfs/dbraw/zinc/07/08/99/946070899.db2.gz XTUGLOGXBIONHK-DIFFPNOSSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573472910 946070040 /nfs/dbraw/zinc/07/00/40/946070040.db2.gz XTUGLOGXBIONHK-GTNSWQLSSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573472910 946070029 /nfs/dbraw/zinc/07/00/29/946070029.db2.gz XTUGLOGXBIONHK-GTNSWQLSSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573472911 946070718 /nfs/dbraw/zinc/07/07/18/946070718.db2.gz XTUGLOGXBIONHK-PIGZYNQJSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@](CO)(Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573472911 946070707 /nfs/dbraw/zinc/07/07/07/946070707.db2.gz XTUGLOGXBIONHK-PIGZYNQJSA-N -1 3 388.432 -0.448 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573472950 946070985 /nfs/dbraw/zinc/07/09/85/946070985.db2.gz YDXRSUNUBIGPCO-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573472950 946070971 /nfs/dbraw/zinc/07/09/71/946070971.db2.gz YDXRSUNUBIGPCO-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573472951 946071021 /nfs/dbraw/zinc/07/10/21/946071021.db2.gz YDXRSUNUBIGPCO-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573472951 946071009 /nfs/dbraw/zinc/07/10/09/946071009.db2.gz YDXRSUNUBIGPCO-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573472952 946071338 /nfs/dbraw/zinc/07/13/38/946071338.db2.gz YDXRSUNUBIGPCO-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573472952 946071327 /nfs/dbraw/zinc/07/13/27/946071327.db2.gz YDXRSUNUBIGPCO-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573472953 946070215 /nfs/dbraw/zinc/07/02/15/946070215.db2.gz YDXRSUNUBIGPCO-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573472953 946070207 /nfs/dbraw/zinc/07/02/07/946070207.db2.gz YDXRSUNUBIGPCO-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573473112 946073756 /nfs/dbraw/zinc/07/37/56/946073756.db2.gz ZBTFOGCJEIUMRF-TVYUQYBPSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573473112 946073746 /nfs/dbraw/zinc/07/37/46/946073746.db2.gz ZBTFOGCJEIUMRF-TVYUQYBPSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573473113 946074797 /nfs/dbraw/zinc/07/47/97/946074797.db2.gz ZBTFOGCJEIUMRF-WQAKAFBOSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573473113 946074789 /nfs/dbraw/zinc/07/47/89/946074789.db2.gz ZBTFOGCJEIUMRF-WQAKAFBOSA-N -1 3 386.416 -0.465 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573473122 946074105 /nfs/dbraw/zinc/07/41/05/946074105.db2.gz ZDMRLUAJNGRVOR-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573473122 946074093 /nfs/dbraw/zinc/07/40/93/946074093.db2.gz ZDMRLUAJNGRVOR-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573473123 946072389 /nfs/dbraw/zinc/07/23/89/946072389.db2.gz ZDMRLUAJNGRVOR-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573473123 946072377 /nfs/dbraw/zinc/07/23/77/946072377.db2.gz ZDMRLUAJNGRVOR-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573473124 946072568 /nfs/dbraw/zinc/07/25/68/946072568.db2.gz ZDMRLUAJNGRVOR-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573473124 946072555 /nfs/dbraw/zinc/07/25/55/946072555.db2.gz ZDMRLUAJNGRVOR-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573473125 946073194 /nfs/dbraw/zinc/07/31/94/946073194.db2.gz ZDMRLUAJNGRVOR-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573473125 946073186 /nfs/dbraw/zinc/07/31/86/946073186.db2.gz ZDMRLUAJNGRVOR-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573473136 946076158 /nfs/dbraw/zinc/07/61/58/946076158.db2.gz ZJJZKHQJIUVHEB-STRQVWJDSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573473136 946076147 /nfs/dbraw/zinc/07/61/47/946076147.db2.gz ZJJZKHQJIUVHEB-STRQVWJDSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573473137 946075759 /nfs/dbraw/zinc/07/57/59/946075759.db2.gz ZJJZKHQJIUVHEB-ZBPZKIAKSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573473137 946075746 /nfs/dbraw/zinc/07/57/46/946075746.db2.gz ZJJZKHQJIUVHEB-ZBPZKIAKSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573473316 946078782 /nfs/dbraw/zinc/07/87/82/946078782.db2.gz BLVTVCGPXKJJDX-NURSFMCSSA-N -1 3 388.407 -0.038 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001573473316 946078770 /nfs/dbraw/zinc/07/87/70/946078770.db2.gz BLVTVCGPXKJJDX-NURSFMCSSA-N -1 3 388.407 -0.038 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573473320 946078712 /nfs/dbraw/zinc/07/87/12/946078712.db2.gz BLVTVCGPXKJJDX-OLUVUFQESA-N -1 3 388.407 -0.038 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001573473320 946078699 /nfs/dbraw/zinc/07/86/99/946078699.db2.gz BLVTVCGPXKJJDX-OLUVUFQESA-N -1 3 388.407 -0.038 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573473326 946079236 /nfs/dbraw/zinc/07/92/36/946079236.db2.gz BNEGEIVDVCJXFR-NURSFMCSSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001573473326 946079219 /nfs/dbraw/zinc/07/92/19/946079219.db2.gz BNEGEIVDVCJXFR-NURSFMCSSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573473329 946078825 /nfs/dbraw/zinc/07/88/25/946078825.db2.gz BNEGEIVDVCJXFR-OLUVUFQESA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001573473329 946078811 /nfs/dbraw/zinc/07/88/11/946078811.db2.gz BNEGEIVDVCJXFR-OLUVUFQESA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573473473 946078477 /nfs/dbraw/zinc/07/84/77/946078477.db2.gz CZEQOVHCZHUBQO-DRCTWCGVSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573473473 946078472 /nfs/dbraw/zinc/07/84/72/946078472.db2.gz CZEQOVHCZHUBQO-DRCTWCGVSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001573473474 946080811 /nfs/dbraw/zinc/08/08/11/946080811.db2.gz CZEQOVHCZHUBQO-GLXFQSAKSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001573473474 946080801 /nfs/dbraw/zinc/08/08/01/946080801.db2.gz CZEQOVHCZHUBQO-GLXFQSAKSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCO[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573473477 946079569 /nfs/dbraw/zinc/07/95/69/946079569.db2.gz 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CC(=O)N[C@H](C)C(=O)N1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573474193 946087765 /nfs/dbraw/zinc/08/77/65/946087765.db2.gz JGCOXALYDDFRHT-SNVBAGLBSA-N -1 3 376.396 -0.036 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C1 ZINC001573474272 946087794 /nfs/dbraw/zinc/08/77/94/946087794.db2.gz JXHPIGFMLBVZLH-JLLWLGSASA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C1 ZINC001573474272 946087787 /nfs/dbraw/zinc/08/77/87/946087787.db2.gz JXHPIGFMLBVZLH-JLLWLGSASA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@@H]2C1 ZINC001573474273 946087524 /nfs/dbraw/zinc/08/75/24/946087524.db2.gz JXHPIGFMLBVZLH-ZMLRMANQSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@@H]2C1 ZINC001573474273 946087512 /nfs/dbraw/zinc/08/75/12/946087512.db2.gz JXHPIGFMLBVZLH-ZMLRMANQSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573474289 946089706 /nfs/dbraw/zinc/08/97/06/946089706.db2.gz KDZRNHMAIUWORO-NURSFMCSSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573474289 946089692 /nfs/dbraw/zinc/08/96/92/946089692.db2.gz KDZRNHMAIUWORO-NURSFMCSSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573474292 946089574 /nfs/dbraw/zinc/08/95/74/946089574.db2.gz KDZRNHMAIUWORO-OLUVUFQESA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573474292 946089565 /nfs/dbraw/zinc/08/95/65/946089565.db2.gz KDZRNHMAIUWORO-OLUVUFQESA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573474601 946091209 /nfs/dbraw/zinc/09/12/09/946091209.db2.gz LKFCVUTYPPIFJG-BXUZGUMPSA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573474601 946091195 /nfs/dbraw/zinc/09/11/95/946091195.db2.gz LKFCVUTYPPIFJG-BXUZGUMPSA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573474602 946091554 /nfs/dbraw/zinc/09/15/54/946091554.db2.gz LKFCVUTYPPIFJG-FZMZJTMJSA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573474602 946091543 /nfs/dbraw/zinc/09/15/43/946091543.db2.gz LKFCVUTYPPIFJG-FZMZJTMJSA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573474603 946091134 /nfs/dbraw/zinc/09/11/34/946091134.db2.gz LKFCVUTYPPIFJG-RISCZKNCSA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573474603 946091125 /nfs/dbraw/zinc/09/11/25/946091125.db2.gz LKFCVUTYPPIFJG-RISCZKNCSA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573474604 946093039 /nfs/dbraw/zinc/09/30/39/946093039.db2.gz LKFCVUTYPPIFJG-SMDDNHRTSA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CCCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573474604 946093032 /nfs/dbraw/zinc/09/30/32/946093032.db2.gz LKFCVUTYPPIFJG-SMDDNHRTSA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573474611 946090888 /nfs/dbraw/zinc/09/08/88/946090888.db2.gz LSLYTYYUAMQTLI-HNGHSSNUSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573474611 946090881 /nfs/dbraw/zinc/09/08/81/946090881.db2.gz LSLYTYYUAMQTLI-HNGHSSNUSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573474612 946092008 /nfs/dbraw/zinc/09/20/08/946092008.db2.gz LSLYTYYUAMQTLI-NKBRHBOISA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573474612 946091997 /nfs/dbraw/zinc/09/19/97/946091997.db2.gz LSLYTYYUAMQTLI-NKBRHBOISA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573474613 946091444 /nfs/dbraw/zinc/09/14/44/946091444.db2.gz LSLYTYYUAMQTLI-OIUVXRBSSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573474613 946091431 /nfs/dbraw/zinc/09/14/31/946091431.db2.gz LSLYTYYUAMQTLI-OIUVXRBSSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573474614 946091925 /nfs/dbraw/zinc/09/19/25/946091925.db2.gz LSLYTYYUAMQTLI-PGOKHVGTSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573474614 946091917 /nfs/dbraw/zinc/09/19/17/946091917.db2.gz LSLYTYYUAMQTLI-PGOKHVGTSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001573474619 946091590 /nfs/dbraw/zinc/09/15/90/946091590.db2.gz LXSIZFDEFOXMDH-TVYUQYBPSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001573474619 946091579 /nfs/dbraw/zinc/09/15/79/946091579.db2.gz LXSIZFDEFOXMDH-TVYUQYBPSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2C1 ZINC001573474620 946091803 /nfs/dbraw/zinc/09/18/03/946091803.db2.gz LXSIZFDEFOXMDH-WQAKAFBOSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2C1 ZINC001573474620 946091792 /nfs/dbraw/zinc/09/17/92/946091792.db2.gz LXSIZFDEFOXMDH-WQAKAFBOSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C1 ZINC001573474786 946095006 /nfs/dbraw/zinc/09/50/06/946095006.db2.gz NKFAAEOCUMAOSV-TVYUQYBPSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C1 ZINC001573474786 946094993 /nfs/dbraw/zinc/09/49/93/946094993.db2.gz NKFAAEOCUMAOSV-TVYUQYBPSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C1 ZINC001573474787 946095073 /nfs/dbraw/zinc/09/50/73/946095073.db2.gz NKFAAEOCUMAOSV-WQAKAFBOSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]2C1 ZINC001573474787 946095063 /nfs/dbraw/zinc/09/50/63/946095063.db2.gz NKFAAEOCUMAOSV-WQAKAFBOSA-N -1 3 386.416 -0.750 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573474822 946094281 /nfs/dbraw/zinc/09/42/81/946094281.db2.gz OAZZGYSOWAQADF-DRCTWCGVSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001573474822 946094273 /nfs/dbraw/zinc/09/42/73/946094273.db2.gz OAZZGYSOWAQADF-DRCTWCGVSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001573474823 946094217 /nfs/dbraw/zinc/09/42/17/946094217.db2.gz OAZZGYSOWAQADF-GLXFQSAKSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001573474823 946094206 /nfs/dbraw/zinc/09/42/06/946094206.db2.gz OAZZGYSOWAQADF-GLXFQSAKSA-N -1 3 386.416 -0.608 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]2C1 ZINC001573474842 946094110 /nfs/dbraw/zinc/09/41/10/946094110.db2.gz OJWPDASZXVDLSS-BNOWGMLFSA-N -1 3 384.444 -0.011 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]2C1 ZINC001573474842 946094101 /nfs/dbraw/zinc/09/41/01/946094101.db2.gz OJWPDASZXVDLSS-BNOWGMLFSA-N -1 3 384.444 -0.011 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]2C1 ZINC001573474846 946095782 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WVVQNPANSDMVEJ-YPMHNXCESA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1CCCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573475714 946104344 /nfs/dbraw/zinc/10/43/44/946104344.db2.gz WVVQNPANSDMVEJ-YPMHNXCESA-N -1 3 388.432 -0.184 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573475793 946106089 /nfs/dbraw/zinc/10/60/89/946106089.db2.gz AYJNAGVWCZCHKG-APPDUMDISA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573475793 946106079 /nfs/dbraw/zinc/10/60/79/946106079.db2.gz AYJNAGVWCZCHKG-APPDUMDISA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573475794 946107022 /nfs/dbraw/zinc/10/70/22/946107022.db2.gz AYJNAGVWCZCHKG-DIFFPNOSSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573475794 946107005 /nfs/dbraw/zinc/10/70/05/946107005.db2.gz AYJNAGVWCZCHKG-DIFFPNOSSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573475795 946107443 /nfs/dbraw/zinc/10/74/43/946107443.db2.gz AYJNAGVWCZCHKG-GTNSWQLSSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573475795 946107437 /nfs/dbraw/zinc/10/74/37/946107437.db2.gz AYJNAGVWCZCHKG-GTNSWQLSSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573475796 946106754 /nfs/dbraw/zinc/10/67/54/946106754.db2.gz AYJNAGVWCZCHKG-PIGZYNQJSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573475796 946106750 /nfs/dbraw/zinc/10/67/50/946106750.db2.gz AYJNAGVWCZCHKG-PIGZYNQJSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)C ZINC001573475936 946108026 /nfs/dbraw/zinc/10/80/26/946108026.db2.gz BFNFVVVZKFQVJY-CMPLNLGQSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)C ZINC001573475936 946108011 /nfs/dbraw/zinc/10/80/11/946108011.db2.gz BFNFVVVZKFQVJY-CMPLNLGQSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)C ZINC001573475938 946107765 /nfs/dbraw/zinc/10/77/65/946107765.db2.gz BFNFVVVZKFQVJY-JQWIXIFHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)C ZINC001573475938 946107757 /nfs/dbraw/zinc/10/77/57/946107757.db2.gz BFNFVVVZKFQVJY-JQWIXIFHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)C ZINC001573475939 946107167 /nfs/dbraw/zinc/10/71/67/946107167.db2.gz BFNFVVVZKFQVJY-PWSUYJOCSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)C ZINC001573475939 946107145 /nfs/dbraw/zinc/10/71/45/946107145.db2.gz BFNFVVVZKFQVJY-PWSUYJOCSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)C ZINC001573475941 946107083 /nfs/dbraw/zinc/10/70/83/946107083.db2.gz BFNFVVVZKFQVJY-ZYHUDNBSSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)C ZINC001573475941 946107059 /nfs/dbraw/zinc/10/70/59/946107059.db2.gz BFNFVVVZKFQVJY-ZYHUDNBSSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573475962 946110188 /nfs/dbraw/zinc/11/01/88/946110188.db2.gz BPVHYNGQXKMHAH-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573475962 946110181 /nfs/dbraw/zinc/11/01/81/946110181.db2.gz BPVHYNGQXKMHAH-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573475964 946110262 /nfs/dbraw/zinc/11/02/62/946110262.db2.gz BPVHYNGQXKMHAH-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573475964 946110257 /nfs/dbraw/zinc/11/02/57/946110257.db2.gz BPVHYNGQXKMHAH-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573475970 946109696 /nfs/dbraw/zinc/10/96/96/946109696.db2.gz BRKQSINQINOOMY-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573475970 946109692 /nfs/dbraw/zinc/10/96/92/946109692.db2.gz BRKQSINQINOOMY-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573475972 946109555 /nfs/dbraw/zinc/10/95/55/946109555.db2.gz BRKQSINQINOOMY-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573475972 946109549 /nfs/dbraw/zinc/10/95/49/946109549.db2.gz BRKQSINQINOOMY-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573476012 946109119 /nfs/dbraw/zinc/10/91/19/946109119.db2.gz CDSQIONMYNIAIW-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573476012 946109111 /nfs/dbraw/zinc/10/91/11/946109111.db2.gz CDSQIONMYNIAIW-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573476013 946109307 /nfs/dbraw/zinc/10/93/07/946109307.db2.gz CDSQIONMYNIAIW-RNCFNFMXSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573476013 946109297 /nfs/dbraw/zinc/10/92/97/946109297.db2.gz CDSQIONMYNIAIW-RNCFNFMXSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573476015 946109951 /nfs/dbraw/zinc/10/99/51/946109951.db2.gz CDSQIONMYNIAIW-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573476015 946109946 /nfs/dbraw/zinc/10/99/46/946109946.db2.gz CDSQIONMYNIAIW-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573476016 946109239 /nfs/dbraw/zinc/10/92/39/946109239.db2.gz CDSQIONMYNIAIW-ZANVPECISA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573476016 946109234 /nfs/dbraw/zinc/10/92/34/946109234.db2.gz CDSQIONMYNIAIW-ZANVPECISA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573476115 946114014 /nfs/dbraw/zinc/11/40/14/946114014.db2.gz ZLILCLQPEHVODM-PRAYIBQGSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573476115 946114008 /nfs/dbraw/zinc/11/40/08/946114008.db2.gz ZLILCLQPEHVODM-PRAYIBQGSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573476116 946114339 /nfs/dbraw/zinc/11/43/39/946114339.db2.gz ZLILCLQPEHVODM-XFOOOJQKSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573476116 946114334 /nfs/dbraw/zinc/11/43/34/946114334.db2.gz ZLILCLQPEHVODM-XFOOOJQKSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573476326 946116745 /nfs/dbraw/zinc/11/67/45/946116745.db2.gz FECXIQQFWTUHPQ-LKFCYVNXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573476326 946116730 /nfs/dbraw/zinc/11/67/30/946116730.db2.gz FECXIQQFWTUHPQ-LKFCYVNXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573476327 946115855 /nfs/dbraw/zinc/11/58/55/946115855.db2.gz FECXIQQFWTUHPQ-OTYXRUKQSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573476327 946115849 /nfs/dbraw/zinc/11/58/49/946115849.db2.gz FECXIQQFWTUHPQ-OTYXRUKQSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573476328 946115364 /nfs/dbraw/zinc/11/53/64/946115364.db2.gz FECXIQQFWTUHPQ-XPTSAGLGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573476328 946115356 /nfs/dbraw/zinc/11/53/56/946115356.db2.gz FECXIQQFWTUHPQ-XPTSAGLGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573476329 946115988 /nfs/dbraw/zinc/11/59/88/946115988.db2.gz FECXIQQFWTUHPQ-YMTOWFKASA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573476329 946115982 /nfs/dbraw/zinc/11/59/82/946115982.db2.gz FECXIQQFWTUHPQ-YMTOWFKASA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573476369 946117380 /nfs/dbraw/zinc/11/73/80/946117380.db2.gz GAWOYRFHGXOJLZ-LLVKDONJSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573476369 946117376 /nfs/dbraw/zinc/11/73/76/946117376.db2.gz GAWOYRFHGXOJLZ-LLVKDONJSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CO)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573476370 946118137 /nfs/dbraw/zinc/11/81/37/946118137.db2.gz GAWOYRFHGXOJLZ-NSHDSACASA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CO)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573476370 946118127 /nfs/dbraw/zinc/11/81/27/946118127.db2.gz GAWOYRFHGXOJLZ-NSHDSACASA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573476377 946119607 /nfs/dbraw/zinc/11/96/07/946119607.db2.gz GEDYAIULWACQNM-APPDUMDISA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573476377 946119599 /nfs/dbraw/zinc/11/95/99/946119599.db2.gz GEDYAIULWACQNM-APPDUMDISA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573476378 946118775 /nfs/dbraw/zinc/11/87/75/946118775.db2.gz GEDYAIULWACQNM-DIFFPNOSSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573476378 946118759 /nfs/dbraw/zinc/11/87/59/946118759.db2.gz GEDYAIULWACQNM-DIFFPNOSSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573476379 946117567 /nfs/dbraw/zinc/11/75/67/946117567.db2.gz GEDYAIULWACQNM-GTNSWQLSSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573476379 946117559 /nfs/dbraw/zinc/11/75/59/946117559.db2.gz GEDYAIULWACQNM-GTNSWQLSSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573476380 946119138 /nfs/dbraw/zinc/11/91/38/946119138.db2.gz GEDYAIULWACQNM-PIGZYNQJSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@]1(CO)CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573476380 946119127 /nfs/dbraw/zinc/11/91/27/946119127.db2.gz GEDYAIULWACQNM-PIGZYNQJSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CO)CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573476413 946118911 /nfs/dbraw/zinc/11/89/11/946118911.db2.gz GPRBYVNMGZIJIG-LLVKDONJSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CO)CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573476413 946118905 /nfs/dbraw/zinc/11/89/05/946118905.db2.gz GPRBYVNMGZIJIG-LLVKDONJSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CO)CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573476414 946118692 /nfs/dbraw/zinc/11/86/92/946118692.db2.gz GPRBYVNMGZIJIG-NSHDSACASA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CO)CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573476414 946118683 /nfs/dbraw/zinc/11/86/83/946118683.db2.gz GPRBYVNMGZIJIG-NSHDSACASA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573476509 946121055 /nfs/dbraw/zinc/12/10/55/946121055.db2.gz HPSFDCXKNNUPBA-LKFCYVNXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573476509 946121049 /nfs/dbraw/zinc/12/10/49/946121049.db2.gz HPSFDCXKNNUPBA-LKFCYVNXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573476511 946120795 /nfs/dbraw/zinc/12/07/95/946120795.db2.gz HPSFDCXKNNUPBA-OTYXRUKQSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573476511 946120783 /nfs/dbraw/zinc/12/07/83/946120783.db2.gz HPSFDCXKNNUPBA-OTYXRUKQSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573476512 946121611 /nfs/dbraw/zinc/12/16/11/946121611.db2.gz HPSFDCXKNNUPBA-XPTSAGLGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573476512 946121597 /nfs/dbraw/zinc/12/15/97/946121597.db2.gz HPSFDCXKNNUPBA-XPTSAGLGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573476514 946120937 /nfs/dbraw/zinc/12/09/37/946120937.db2.gz HPSFDCXKNNUPBA-YMTOWFKASA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573476514 946120931 /nfs/dbraw/zinc/12/09/31/946120931.db2.gz HPSFDCXKNNUPBA-YMTOWFKASA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@](C)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573476550 946121262 /nfs/dbraw/zinc/12/12/62/946121262.db2.gz HYBAOPCUWFHYGL-HUTHGQBESA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@](C)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573476550 946121239 /nfs/dbraw/zinc/12/12/39/946121239.db2.gz HYBAOPCUWFHYGL-HUTHGQBESA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@](C)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573476551 946121571 /nfs/dbraw/zinc/12/15/71/946121571.db2.gz HYBAOPCUWFHYGL-VVVCHXIZSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@](C)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573476551 946121558 /nfs/dbraw/zinc/12/15/58/946121558.db2.gz HYBAOPCUWFHYGL-VVVCHXIZSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@](C)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573476552 946120863 /nfs/dbraw/zinc/12/08/63/946120863.db2.gz HYBAOPCUWFHYGL-XLFHBGCDSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@](C)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573476552 946120858 /nfs/dbraw/zinc/12/08/58/946120858.db2.gz HYBAOPCUWFHYGL-XLFHBGCDSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@](C)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573476554 946120915 /nfs/dbraw/zinc/12/09/15/946120915.db2.gz HYBAOPCUWFHYGL-XYZCENFISA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@](C)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573476554 946120908 /nfs/dbraw/zinc/12/09/08/946120908.db2.gz HYBAOPCUWFHYGL-XYZCENFISA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573476677 946123312 /nfs/dbraw/zinc/12/33/12/946123312.db2.gz IUOZFVIRQWTWEE-GCVQQVDUSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573476677 946123304 /nfs/dbraw/zinc/12/33/04/946123304.db2.gz IUOZFVIRQWTWEE-GCVQQVDUSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573476678 946124376 /nfs/dbraw/zinc/12/43/76/946124376.db2.gz IUOZFVIRQWTWEE-OIKLOGQESA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573476678 946124368 /nfs/dbraw/zinc/12/43/68/946124368.db2.gz IUOZFVIRQWTWEE-OIKLOGQESA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573476725 946123338 /nfs/dbraw/zinc/12/33/38/946123338.db2.gz IYPHZINTWRAAEV-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573476725 946123330 /nfs/dbraw/zinc/12/33/30/946123330.db2.gz IYPHZINTWRAAEV-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573476727 946124187 /nfs/dbraw/zinc/12/41/87/946124187.db2.gz IYPHZINTWRAAEV-RNCFNFMXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573476727 946124182 /nfs/dbraw/zinc/12/41/82/946124182.db2.gz IYPHZINTWRAAEV-RNCFNFMXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573476728 946124105 /nfs/dbraw/zinc/12/41/05/946124105.db2.gz IYPHZINTWRAAEV-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573476728 946124099 /nfs/dbraw/zinc/12/40/99/946124099.db2.gz IYPHZINTWRAAEV-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573476729 946123479 /nfs/dbraw/zinc/12/34/79/946123479.db2.gz IYPHZINTWRAAEV-ZANVPECISA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573476729 946123472 /nfs/dbraw/zinc/12/34/72/946123472.db2.gz IYPHZINTWRAAEV-ZANVPECISA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573476769 946125536 /nfs/dbraw/zinc/12/55/36/946125536.db2.gz JQCCBOLBHLPLTA-CMPLNLGQSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573476769 946125530 /nfs/dbraw/zinc/12/55/30/946125530.db2.gz JQCCBOLBHLPLTA-CMPLNLGQSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573476771 946126608 /nfs/dbraw/zinc/12/66/08/946126608.db2.gz JQCCBOLBHLPLTA-JQWIXIFHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573476771 946126605 /nfs/dbraw/zinc/12/66/05/946126605.db2.gz JQCCBOLBHLPLTA-JQWIXIFHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573476837 946126210 /nfs/dbraw/zinc/12/62/10/946126210.db2.gz JQCCBOLBHLPLTA-PWSUYJOCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573476837 946126202 /nfs/dbraw/zinc/12/62/02/946126202.db2.gz JQCCBOLBHLPLTA-PWSUYJOCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573476838 946125272 /nfs/dbraw/zinc/12/52/72/946125272.db2.gz JQCCBOLBHLPLTA-ZYHUDNBSSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573476838 946125267 /nfs/dbraw/zinc/12/52/67/946125267.db2.gz JQCCBOLBHLPLTA-ZYHUDNBSSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573476931 946128103 /nfs/dbraw/zinc/12/81/03/946128103.db2.gz LLQILLYWOSHGLT-JTQLQIEISA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573476931 946128097 /nfs/dbraw/zinc/12/80/97/946128097.db2.gz LLQILLYWOSHGLT-JTQLQIEISA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573476932 946128299 /nfs/dbraw/zinc/12/82/99/946128299.db2.gz LLQILLYWOSHGLT-SNVBAGLBSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573476932 946128295 /nfs/dbraw/zinc/12/82/95/946128295.db2.gz LLQILLYWOSHGLT-SNVBAGLBSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573477121 946130888 /nfs/dbraw/zinc/13/08/88/946130888.db2.gz NATHVQPQSZACIE-ALXWSUNGSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573477121 946130887 /nfs/dbraw/zinc/13/08/87/946130887.db2.gz NATHVQPQSZACIE-ALXWSUNGSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573477122 946129538 /nfs/dbraw/zinc/12/95/38/946129538.db2.gz NATHVQPQSZACIE-UHEGKEBESA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573477122 946129528 /nfs/dbraw/zinc/12/95/28/946129528.db2.gz NATHVQPQSZACIE-UHEGKEBESA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CCO)CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573477275 946133173 /nfs/dbraw/zinc/13/31/73/946133173.db2.gz NUVYXOUUKTTWHT-GFCCVEGCSA-N -1 3 387.444 -0.556 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CCO)CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573477275 946133166 /nfs/dbraw/zinc/13/31/66/946133166.db2.gz NUVYXOUUKTTWHT-GFCCVEGCSA-N -1 3 387.444 -0.556 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CCO)CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573477276 946132220 /nfs/dbraw/zinc/13/22/20/946132220.db2.gz NUVYXOUUKTTWHT-LBPRGKRZSA-N -1 3 387.444 -0.556 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CCO)CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573477276 946132216 /nfs/dbraw/zinc/13/22/16/946132216.db2.gz NUVYXOUUKTTWHT-LBPRGKRZSA-N -1 3 387.444 -0.556 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573477333 946131433 /nfs/dbraw/zinc/13/14/33/946131433.db2.gz OQZGGDBBWOPUDW-JTQLQIEISA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573477333 946131425 /nfs/dbraw/zinc/13/14/25/946131425.db2.gz OQZGGDBBWOPUDW-JTQLQIEISA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573477334 946132905 /nfs/dbraw/zinc/13/29/05/946132905.db2.gz OQZGGDBBWOPUDW-SNVBAGLBSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573477334 946132900 /nfs/dbraw/zinc/13/29/00/946132900.db2.gz OQZGGDBBWOPUDW-SNVBAGLBSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573477401 946133964 /nfs/dbraw/zinc/13/39/64/946133964.db2.gz PYXJAJRNNACOJW-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573477401 946133955 /nfs/dbraw/zinc/13/39/55/946133955.db2.gz PYXJAJRNNACOJW-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573477402 946134462 /nfs/dbraw/zinc/13/44/62/946134462.db2.gz PYXJAJRNNACOJW-RNCFNFMXSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573477402 946134458 /nfs/dbraw/zinc/13/44/58/946134458.db2.gz PYXJAJRNNACOJW-RNCFNFMXSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573477403 946133681 /nfs/dbraw/zinc/13/36/81/946133681.db2.gz PYXJAJRNNACOJW-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573477403 946133673 /nfs/dbraw/zinc/13/36/73/946133673.db2.gz PYXJAJRNNACOJW-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573477404 946134907 /nfs/dbraw/zinc/13/49/07/946134907.db2.gz PYXJAJRNNACOJW-ZANVPECISA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573477404 946134903 /nfs/dbraw/zinc/13/49/03/946134903.db2.gz PYXJAJRNNACOJW-ZANVPECISA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CCO)CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573477433 946136850 /nfs/dbraw/zinc/13/68/50/946136850.db2.gz QSIGERHMVFYACO-GFCCVEGCSA-N -1 3 387.444 -0.556 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CCO)CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573477433 946136848 /nfs/dbraw/zinc/13/68/48/946136848.db2.gz QSIGERHMVFYACO-GFCCVEGCSA-N -1 3 387.444 -0.556 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CCO)CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001573477434 946137369 /nfs/dbraw/zinc/13/73/69/946137369.db2.gz QSIGERHMVFYACO-LBPRGKRZSA-N -1 3 387.444 -0.556 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CCO)CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001573477434 946137362 /nfs/dbraw/zinc/13/73/62/946137362.db2.gz QSIGERHMVFYACO-LBPRGKRZSA-N -1 3 387.444 -0.556 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573477477 946137486 /nfs/dbraw/zinc/13/74/86/946137486.db2.gz RCUYTDNYVNGVPV-GWCFXTLKSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573477477 946137477 /nfs/dbraw/zinc/13/74/77/946137477.db2.gz RCUYTDNYVNGVPV-GWCFXTLKSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573477478 946136971 /nfs/dbraw/zinc/13/69/71/946136971.db2.gz RCUYTDNYVNGVPV-GXFFZTMASA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573477478 946136966 /nfs/dbraw/zinc/13/69/66/946136966.db2.gz RCUYTDNYVNGVPV-GXFFZTMASA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573477479 946136539 /nfs/dbraw/zinc/13/65/39/946136539.db2.gz RCUYTDNYVNGVPV-MFKMUULPSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573477479 946136530 /nfs/dbraw/zinc/13/65/30/946136530.db2.gz RCUYTDNYVNGVPV-MFKMUULPSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573477480 946136935 /nfs/dbraw/zinc/13/69/35/946136935.db2.gz RCUYTDNYVNGVPV-ZWNOBZJWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573477480 946136927 /nfs/dbraw/zinc/13/69/27/946136927.db2.gz RCUYTDNYVNGVPV-ZWNOBZJWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573477509 946139550 /nfs/dbraw/zinc/13/95/50/946139550.db2.gz RKIIVYLPNNTNBN-GWCFXTLKSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573477509 946139548 /nfs/dbraw/zinc/13/95/48/946139548.db2.gz RKIIVYLPNNTNBN-GWCFXTLKSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573477510 946138916 /nfs/dbraw/zinc/13/89/16/946138916.db2.gz RKIIVYLPNNTNBN-GXFFZTMASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573477510 946138910 /nfs/dbraw/zinc/13/89/10/946138910.db2.gz RKIIVYLPNNTNBN-GXFFZTMASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573477511 946139457 /nfs/dbraw/zinc/13/94/57/946139457.db2.gz RKIIVYLPNNTNBN-MFKMUULPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573477511 946139454 /nfs/dbraw/zinc/13/94/54/946139454.db2.gz RKIIVYLPNNTNBN-MFKMUULPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573477512 946139124 /nfs/dbraw/zinc/13/91/24/946139124.db2.gz RKIIVYLPNNTNBN-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573477512 946139119 /nfs/dbraw/zinc/13/91/19/946139119.db2.gz RKIIVYLPNNTNBN-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573477517 946138703 /nfs/dbraw/zinc/13/87/03/946138703.db2.gz RMQFJDPEFKBBPP-NOZJJQNGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573477517 946138696 /nfs/dbraw/zinc/13/86/96/946138696.db2.gz RMQFJDPEFKBBPP-NOZJJQNGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573477518 946139535 /nfs/dbraw/zinc/13/95/35/946139535.db2.gz RMQFJDPEFKBBPP-RNCFNFMXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573477518 946139532 /nfs/dbraw/zinc/13/95/32/946139532.db2.gz RMQFJDPEFKBBPP-RNCFNFMXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573477519 946138735 /nfs/dbraw/zinc/13/87/35/946138735.db2.gz RMQFJDPEFKBBPP-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573477519 946138728 /nfs/dbraw/zinc/13/87/28/946138728.db2.gz RMQFJDPEFKBBPP-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573477520 946139380 /nfs/dbraw/zinc/13/93/80/946139380.db2.gz RMQFJDPEFKBBPP-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573477520 946139377 /nfs/dbraw/zinc/13/93/77/946139377.db2.gz RMQFJDPEFKBBPP-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573477537 946139475 /nfs/dbraw/zinc/13/94/75/946139475.db2.gz RPXFHXMLVWJHFF-LLVKDONJSA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573477537 946139470 /nfs/dbraw/zinc/13/94/70/946139470.db2.gz RPXFHXMLVWJHFF-LLVKDONJSA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573477538 946138572 /nfs/dbraw/zinc/13/85/72/946138572.db2.gz RPXFHXMLVWJHFF-NSHDSACASA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573477538 946138565 /nfs/dbraw/zinc/13/85/65/946138565.db2.gz RPXFHXMLVWJHFF-NSHDSACASA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573478171 946145669 /nfs/dbraw/zinc/14/56/69/946145669.db2.gz VWBVMKUNVKVENN-GWCFXTLKSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573478171 946145662 /nfs/dbraw/zinc/14/56/62/946145662.db2.gz VWBVMKUNVKVENN-GWCFXTLKSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573478173 946144951 /nfs/dbraw/zinc/14/49/51/946144951.db2.gz VWBVMKUNVKVENN-GXFFZTMASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573478173 946144942 /nfs/dbraw/zinc/14/49/42/946144942.db2.gz VWBVMKUNVKVENN-GXFFZTMASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573478175 946145353 /nfs/dbraw/zinc/14/53/53/946145353.db2.gz VWBVMKUNVKVENN-MFKMUULPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573478175 946145345 /nfs/dbraw/zinc/14/53/45/946145345.db2.gz VWBVMKUNVKVENN-MFKMUULPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573478178 946146303 /nfs/dbraw/zinc/14/63/03/946146303.db2.gz VWBVMKUNVKVENN-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573478178 946146299 /nfs/dbraw/zinc/14/62/99/946146299.db2.gz VWBVMKUNVKVENN-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573478199 946146020 /nfs/dbraw/zinc/14/60/20/946146020.db2.gz VZKGUFYKZUOLLY-LKFCYVNXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573478199 946146015 /nfs/dbraw/zinc/14/60/15/946146015.db2.gz VZKGUFYKZUOLLY-LKFCYVNXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573478201 946146318 /nfs/dbraw/zinc/14/63/18/946146318.db2.gz VZKGUFYKZUOLLY-OTYXRUKQSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573478201 946146313 /nfs/dbraw/zinc/14/63/13/946146313.db2.gz VZKGUFYKZUOLLY-OTYXRUKQSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573478203 946145091 /nfs/dbraw/zinc/14/50/91/946145091.db2.gz VZKGUFYKZUOLLY-XPTSAGLGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573478203 946145085 /nfs/dbraw/zinc/14/50/85/946145085.db2.gz VZKGUFYKZUOLLY-XPTSAGLGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573478206 946145443 /nfs/dbraw/zinc/14/54/43/946145443.db2.gz VZKGUFYKZUOLLY-YMTOWFKASA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573478206 946145432 /nfs/dbraw/zinc/14/54/32/946145432.db2.gz VZKGUFYKZUOLLY-YMTOWFKASA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573478292 946145510 /nfs/dbraw/zinc/14/55/10/946145510.db2.gz WHOMRDGREAFMFJ-APPDUMDISA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573478292 946145502 /nfs/dbraw/zinc/14/55/02/946145502.db2.gz WHOMRDGREAFMFJ-APPDUMDISA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573478293 946146267 /nfs/dbraw/zinc/14/62/67/946146267.db2.gz WHOMRDGREAFMFJ-DIFFPNOSSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573478293 946146261 /nfs/dbraw/zinc/14/62/61/946146261.db2.gz WHOMRDGREAFMFJ-DIFFPNOSSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573478294 946145262 /nfs/dbraw/zinc/14/52/62/946145262.db2.gz WHOMRDGREAFMFJ-GTNSWQLSSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@]1(CO)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573478294 946145250 /nfs/dbraw/zinc/14/52/50/946145250.db2.gz WHOMRDGREAFMFJ-GTNSWQLSSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573478295 946148426 /nfs/dbraw/zinc/14/84/26/946148426.db2.gz WHOMRDGREAFMFJ-PIGZYNQJSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@]1(CO)CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573478295 946148422 /nfs/dbraw/zinc/14/84/22/946148422.db2.gz WHOMRDGREAFMFJ-PIGZYNQJSA-N -1 3 388.432 -0.766 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2ncccc2-c2nn[n-]n2)CCOCC1 ZINC001573478310 946148002 /nfs/dbraw/zinc/14/80/02/946148002.db2.gz WJKNESQPEVRLNH-LLVKDONJSA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2ncccc2-c2nnn[n-]2)CCOCC1 ZINC001573478310 946148000 /nfs/dbraw/zinc/14/80/00/946148000.db2.gz WJKNESQPEVRLNH-LLVKDONJSA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ncccc2-c2nn[n-]n2)CCOCC1 ZINC001573478311 946147688 /nfs/dbraw/zinc/14/76/88/946147688.db2.gz WJKNESQPEVRLNH-NSHDSACASA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ncccc2-c2nnn[n-]2)CCOCC1 ZINC001573478311 946147682 /nfs/dbraw/zinc/14/76/82/946147682.db2.gz WJKNESQPEVRLNH-NSHDSACASA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573478403 946147808 /nfs/dbraw/zinc/14/78/08/946147808.db2.gz WPROORDJRBXAQX-NOZJJQNGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573478403 946147801 /nfs/dbraw/zinc/14/78/01/946147801.db2.gz WPROORDJRBXAQX-NOZJJQNGSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573478404 946147562 /nfs/dbraw/zinc/14/75/62/946147562.db2.gz WPROORDJRBXAQX-RNCFNFMXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573478404 946147554 /nfs/dbraw/zinc/14/75/54/946147554.db2.gz WPROORDJRBXAQX-RNCFNFMXSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573478406 946147304 /nfs/dbraw/zinc/14/73/04/946147304.db2.gz WPROORDJRBXAQX-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573478406 946147299 /nfs/dbraw/zinc/14/72/99/946147299.db2.gz WPROORDJRBXAQX-TVQRCGJNSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573478407 946147056 /nfs/dbraw/zinc/14/70/56/946147056.db2.gz WPROORDJRBXAQX-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573478407 946147048 /nfs/dbraw/zinc/14/70/48/946147048.db2.gz WPROORDJRBXAQX-ZANVPECISA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573478560 946149387 /nfs/dbraw/zinc/14/93/87/946149387.db2.gz XFDSDSGOTFVLFI-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573478560 946149380 /nfs/dbraw/zinc/14/93/80/946149380.db2.gz XFDSDSGOTFVLFI-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573478564 946149794 /nfs/dbraw/zinc/14/97/94/946149794.db2.gz XFDSDSGOTFVLFI-RNCFNFMXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573478564 946149786 /nfs/dbraw/zinc/14/97/86/946149786.db2.gz XFDSDSGOTFVLFI-RNCFNFMXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573478566 946150800 /nfs/dbraw/zinc/15/08/00/946150800.db2.gz XFDSDSGOTFVLFI-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573478566 946150795 /nfs/dbraw/zinc/15/07/95/946150795.db2.gz XFDSDSGOTFVLFI-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573478569 946149538 /nfs/dbraw/zinc/14/95/38/946149538.db2.gz XFDSDSGOTFVLFI-ZANVPECISA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573478569 946149529 /nfs/dbraw/zinc/14/95/29/946149529.db2.gz XFDSDSGOTFVLFI-ZANVPECISA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC001573478593 946150921 /nfs/dbraw/zinc/15/09/21/946150921.db2.gz XPJOUZXPDQQYPN-LLVKDONJSA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC001573478593 946150917 /nfs/dbraw/zinc/15/09/17/946150917.db2.gz XPJOUZXPDQQYPN-LLVKDONJSA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC001573478594 946150960 /nfs/dbraw/zinc/15/09/60/946150960.db2.gz XPJOUZXPDQQYPN-NSHDSACASA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CNc2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC001573478594 946150956 /nfs/dbraw/zinc/15/09/56/946150956.db2.gz XPJOUZXPDQQYPN-NSHDSACASA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573478733 946150819 /nfs/dbraw/zinc/15/08/19/946150819.db2.gz XXVVJQIAZIPFJM-HUTHGQBESA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573478733 946150814 /nfs/dbraw/zinc/15/08/14/946150814.db2.gz XXVVJQIAZIPFJM-HUTHGQBESA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@](C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573478734 946150848 /nfs/dbraw/zinc/15/08/48/946150848.db2.gz XXVVJQIAZIPFJM-VVVCHXIZSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@](C)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573478734 946150841 /nfs/dbraw/zinc/15/08/41/946150841.db2.gz XXVVJQIAZIPFJM-VVVCHXIZSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573478735 946149867 /nfs/dbraw/zinc/14/98/67/946149867.db2.gz XXVVJQIAZIPFJM-XLFHBGCDSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573478735 946149855 /nfs/dbraw/zinc/14/98/55/946149855.db2.gz XXVVJQIAZIPFJM-XLFHBGCDSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@](C)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001573478736 946149513 /nfs/dbraw/zinc/14/95/13/946149513.db2.gz XXVVJQIAZIPFJM-XYZCENFISA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@](C)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001573478736 946149505 /nfs/dbraw/zinc/14/95/05/946149505.db2.gz XXVVJQIAZIPFJM-XYZCENFISA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573478759 946150193 /nfs/dbraw/zinc/15/01/93/946150193.db2.gz YGWNFZXCUREGLC-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001573478759 946150183 /nfs/dbraw/zinc/15/01/83/946150183.db2.gz YGWNFZXCUREGLC-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573478760 946150870 /nfs/dbraw/zinc/15/08/70/946150870.db2.gz YGWNFZXCUREGLC-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001573478760 946150867 /nfs/dbraw/zinc/15/08/67/946150867.db2.gz YGWNFZXCUREGLC-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573478765 946150935 /nfs/dbraw/zinc/15/09/35/946150935.db2.gz YIUFRWJOKNWRIO-JTQLQIEISA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573478765 946150932 /nfs/dbraw/zinc/15/09/32/946150932.db2.gz YIUFRWJOKNWRIO-JTQLQIEISA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573478766 946150948 /nfs/dbraw/zinc/15/09/48/946150948.db2.gz YIUFRWJOKNWRIO-SNVBAGLBSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573478766 946150944 /nfs/dbraw/zinc/15/09/44/946150944.db2.gz YIUFRWJOKNWRIO-SNVBAGLBSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573478945 946152253 /nfs/dbraw/zinc/15/22/53/946152253.db2.gz ZILVBJMOOUHSIG-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573478945 946152244 /nfs/dbraw/zinc/15/22/44/946152244.db2.gz ZILVBJMOOUHSIG-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573478946 946151975 /nfs/dbraw/zinc/15/19/75/946151975.db2.gz ZILVBJMOOUHSIG-RNCFNFMXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573478946 946151965 /nfs/dbraw/zinc/15/19/65/946151965.db2.gz ZILVBJMOOUHSIG-RNCFNFMXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573478947 946152852 /nfs/dbraw/zinc/15/28/52/946152852.db2.gz ZILVBJMOOUHSIG-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573478947 946152845 /nfs/dbraw/zinc/15/28/45/946152845.db2.gz ZILVBJMOOUHSIG-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573478948 946152352 /nfs/dbraw/zinc/15/23/52/946152352.db2.gz ZILVBJMOOUHSIG-ZANVPECISA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573478948 946152345 /nfs/dbraw/zinc/15/23/45/946152345.db2.gz ZILVBJMOOUHSIG-ZANVPECISA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573478981 946154394 /nfs/dbraw/zinc/15/43/94/946154394.db2.gz ZTVNIEXMPQRFQK-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573478981 946154390 /nfs/dbraw/zinc/15/43/90/946154390.db2.gz ZTVNIEXMPQRFQK-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573478982 946154531 /nfs/dbraw/zinc/15/45/31/946154531.db2.gz ZTVNIEXMPQRFQK-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573478982 946154525 /nfs/dbraw/zinc/15/45/25/946154525.db2.gz ZTVNIEXMPQRFQK-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573479215 946153857 /nfs/dbraw/zinc/15/38/57/946153857.db2.gz ALHXDXQGGMSGMB-STRQVWJDSA-N -1 3 388.407 -0.276 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001573479215 946153855 /nfs/dbraw/zinc/15/38/55/946153855.db2.gz ALHXDXQGGMSGMB-STRQVWJDSA-N -1 3 388.407 -0.276 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]21 ZINC001573479216 946154418 /nfs/dbraw/zinc/15/44/18/946154418.db2.gz ALHXDXQGGMSGMB-ZBPZKIAKSA-N -1 3 388.407 -0.276 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]21 ZINC001573479216 946154408 /nfs/dbraw/zinc/15/44/08/946154408.db2.gz ALHXDXQGGMSGMB-ZBPZKIAKSA-N -1 3 388.407 -0.276 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573479217 946154809 /nfs/dbraw/zinc/15/48/09/946154809.db2.gz ANCBHLLVDYFVDK-GWCFXTLKSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573479217 946154800 /nfs/dbraw/zinc/15/48/00/946154800.db2.gz ANCBHLLVDYFVDK-GWCFXTLKSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573479218 946154084 /nfs/dbraw/zinc/15/40/84/946154084.db2.gz ANCBHLLVDYFVDK-GXFFZTMASA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573479218 946154077 /nfs/dbraw/zinc/15/40/77/946154077.db2.gz ANCBHLLVDYFVDK-GXFFZTMASA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573479219 946153845 /nfs/dbraw/zinc/15/38/45/946153845.db2.gz ANCBHLLVDYFVDK-MFKMUULPSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573479219 946153841 /nfs/dbraw/zinc/15/38/41/946153841.db2.gz ANCBHLLVDYFVDK-MFKMUULPSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573479220 946153882 /nfs/dbraw/zinc/15/38/82/946153882.db2.gz ANCBHLLVDYFVDK-ZWNOBZJWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573479220 946153879 /nfs/dbraw/zinc/15/38/79/946153879.db2.gz ANCBHLLVDYFVDK-ZWNOBZJWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573479273 946157501 /nfs/dbraw/zinc/15/75/01/946157501.db2.gz BRPPPERGWWLJRI-STRQVWJDSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573479273 946157497 /nfs/dbraw/zinc/15/74/97/946157497.db2.gz BRPPPERGWWLJRI-STRQVWJDSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@H]21 ZINC001573479274 946156751 /nfs/dbraw/zinc/15/67/51/946156751.db2.gz BRPPPERGWWLJRI-ZBPZKIAKSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@H]21 ZINC001573479274 946156745 /nfs/dbraw/zinc/15/67/45/946156745.db2.gz BRPPPERGWWLJRI-ZBPZKIAKSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573479276 946155948 /nfs/dbraw/zinc/15/59/48/946155948.db2.gz BRSPICBVFBQCLP-HKWIRBFKSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001573479276 946155940 /nfs/dbraw/zinc/15/59/40/946155940.db2.gz BRSPICBVFBQCLP-HKWIRBFKSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C[C@H]21 ZINC001573479277 946156086 /nfs/dbraw/zinc/15/60/86/946156086.db2.gz BRSPICBVFBQCLP-PDEGPIFNSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C[C@H]21 ZINC001573479277 946156080 /nfs/dbraw/zinc/15/60/80/946156080.db2.gz BRSPICBVFBQCLP-PDEGPIFNSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001573479394 946158971 /nfs/dbraw/zinc/15/89/71/946158971.db2.gz CMDYBGGASKKJTJ-APPDUMDISA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001573479394 946158966 /nfs/dbraw/zinc/15/89/66/946158966.db2.gz CMDYBGGASKKJTJ-APPDUMDISA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001573479395 946159207 /nfs/dbraw/zinc/15/92/07/946159207.db2.gz CMDYBGGASKKJTJ-DIFFPNOSSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001573479395 946159198 /nfs/dbraw/zinc/15/91/98/946159198.db2.gz CMDYBGGASKKJTJ-DIFFPNOSSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001573479396 946158667 /nfs/dbraw/zinc/15/86/67/946158667.db2.gz CMDYBGGASKKJTJ-GTNSWQLSSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001573479396 946158661 /nfs/dbraw/zinc/15/86/61/946158661.db2.gz CMDYBGGASKKJTJ-GTNSWQLSSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)cn2)CCO1 ZINC001573479397 946158989 /nfs/dbraw/zinc/15/89/89/946158989.db2.gz CMDYBGGASKKJTJ-PIGZYNQJSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)cn2)CCO1 ZINC001573479397 946158984 /nfs/dbraw/zinc/15/89/84/946158984.db2.gz CMDYBGGASKKJTJ-PIGZYNQJSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1Cc1ccccc1-c1nn[n-]n1 ZINC001573479422 946159269 /nfs/dbraw/zinc/15/92/69/946159269.db2.gz CPTDNQDLEAKNTF-DOMZBBRYSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1Cc1ccccc1-c1nnn[n-]1 ZINC001573479422 946159266 /nfs/dbraw/zinc/15/92/66/946159266.db2.gz CPTDNQDLEAKNTF-DOMZBBRYSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1Cc1ccccc1-c1nn[n-]n1 ZINC001573479423 946159068 /nfs/dbraw/zinc/15/90/68/946159068.db2.gz CPTDNQDLEAKNTF-IUODEOHRSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1Cc1ccccc1-c1nnn[n-]1 ZINC001573479423 946159065 /nfs/dbraw/zinc/15/90/65/946159065.db2.gz CPTDNQDLEAKNTF-IUODEOHRSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1Cc1ccccc1-c1nn[n-]n1 ZINC001573479424 946158455 /nfs/dbraw/zinc/15/84/55/946158455.db2.gz CPTDNQDLEAKNTF-SWLSCSKDSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1Cc1ccccc1-c1nnn[n-]1 ZINC001573479424 946158445 /nfs/dbraw/zinc/15/84/45/946158445.db2.gz CPTDNQDLEAKNTF-SWLSCSKDSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1Cc1ccccc1-c1nn[n-]n1 ZINC001573479425 946159528 /nfs/dbraw/zinc/15/95/28/946159528.db2.gz CPTDNQDLEAKNTF-WFASDCNBSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1Cc1ccccc1-c1nnn[n-]1 ZINC001573479425 946159521 /nfs/dbraw/zinc/15/95/21/946159521.db2.gz CPTDNQDLEAKNTF-WFASDCNBSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573479454 946160604 /nfs/dbraw/zinc/16/06/04/946160604.db2.gz CXSSEJQLKGVRTM-GMSGAONNSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573479454 946160595 /nfs/dbraw/zinc/16/05/95/946160595.db2.gz CXSSEJQLKGVRTM-GMSGAONNSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573479455 946161715 /nfs/dbraw/zinc/16/17/15/946161715.db2.gz CXSSEJQLKGVRTM-OIBJUYFYSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573479455 946161713 /nfs/dbraw/zinc/16/17/13/946161713.db2.gz CXSSEJQLKGVRTM-OIBJUYFYSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573479456 946160883 /nfs/dbraw/zinc/16/08/83/946160883.db2.gz CXSSEJQLKGVRTM-XCBNKYQSSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573479456 946160874 /nfs/dbraw/zinc/16/08/74/946160874.db2.gz CXSSEJQLKGVRTM-XCBNKYQSSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573479457 946161151 /nfs/dbraw/zinc/16/11/51/946161151.db2.gz CXSSEJQLKGVRTM-XVKPBYJWSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573479457 946161140 /nfs/dbraw/zinc/16/11/40/946161140.db2.gz CXSSEJQLKGVRTM-XVKPBYJWSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573479462 946161511 /nfs/dbraw/zinc/16/15/11/946161511.db2.gz DCPWIUCCOAYSHO-CMPLNLGQSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573479462 946161505 /nfs/dbraw/zinc/16/15/05/946161505.db2.gz DCPWIUCCOAYSHO-CMPLNLGQSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573479463 946161073 /nfs/dbraw/zinc/16/10/73/946161073.db2.gz DCPWIUCCOAYSHO-JQWIXIFHSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573479463 946161069 /nfs/dbraw/zinc/16/10/69/946161069.db2.gz DCPWIUCCOAYSHO-JQWIXIFHSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573479464 946161436 /nfs/dbraw/zinc/16/14/36/946161436.db2.gz DCPWIUCCOAYSHO-PWSUYJOCSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573479464 946161430 /nfs/dbraw/zinc/16/14/30/946161430.db2.gz DCPWIUCCOAYSHO-PWSUYJOCSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573479465 946161409 /nfs/dbraw/zinc/16/14/09/946161409.db2.gz DCPWIUCCOAYSHO-ZYHUDNBSSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573479465 946161402 /nfs/dbraw/zinc/16/14/02/946161402.db2.gz DCPWIUCCOAYSHO-ZYHUDNBSSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1 ZINC001573479466 946161214 /nfs/dbraw/zinc/16/12/14/946161214.db2.gz DEPVJJAEVSSULI-AAEUAGOBSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1 ZINC001573479466 946161205 /nfs/dbraw/zinc/16/12/05/946161205.db2.gz DEPVJJAEVSSULI-AAEUAGOBSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1 ZINC001573479467 946160957 /nfs/dbraw/zinc/16/09/57/946160957.db2.gz DEPVJJAEVSSULI-DGCLKSJQSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1 ZINC001573479467 946160953 /nfs/dbraw/zinc/16/09/53/946160953.db2.gz DEPVJJAEVSSULI-DGCLKSJQSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1 ZINC001573479468 946160572 /nfs/dbraw/zinc/16/05/72/946160572.db2.gz DEPVJJAEVSSULI-WCQYABFASA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1 ZINC001573479468 946160562 /nfs/dbraw/zinc/16/05/62/946160562.db2.gz DEPVJJAEVSSULI-WCQYABFASA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCCO1 ZINC001573479469 946161121 /nfs/dbraw/zinc/16/11/21/946161121.db2.gz DEPVJJAEVSSULI-YPMHNXCESA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCCO1 ZINC001573479469 946161113 /nfs/dbraw/zinc/16/11/13/946161113.db2.gz DEPVJJAEVSSULI-YPMHNXCESA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001573479472 946162108 /nfs/dbraw/zinc/16/21/08/946162108.db2.gz DFTUQNXPZVWJNS-BLLLJJGKSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001573479472 946162105 /nfs/dbraw/zinc/16/21/05/946162105.db2.gz DFTUQNXPZVWJNS-BLLLJJGKSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001573479473 946160909 /nfs/dbraw/zinc/16/09/09/946160909.db2.gz DFTUQNXPZVWJNS-LRDDRELGSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001573479473 946160902 /nfs/dbraw/zinc/16/09/02/946160902.db2.gz DFTUQNXPZVWJNS-LRDDRELGSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001573479474 946161671 /nfs/dbraw/zinc/16/16/71/946161671.db2.gz DFTUQNXPZVWJNS-MLGOLLRUSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001573479474 946161669 /nfs/dbraw/zinc/16/16/69/946161669.db2.gz DFTUQNXPZVWJNS-MLGOLLRUSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1Cc1cccc(-c2nn[n-]n2)c1 ZINC001573479475 946160637 /nfs/dbraw/zinc/16/06/37/946160637.db2.gz DFTUQNXPZVWJNS-WBMJQRKESA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1Cc1cccc(-c2nnn[n-]2)c1 ZINC001573479475 946160630 /nfs/dbraw/zinc/16/06/30/946160630.db2.gz DFTUQNXPZVWJNS-WBMJQRKESA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]21 ZINC001573479508 946160996 /nfs/dbraw/zinc/16/09/96/946160996.db2.gz DRUYAJBQQOHRRD-FBUXBERBSA-N -1 3 384.444 -0.107 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]21 ZINC001573479508 946160991 /nfs/dbraw/zinc/16/09/91/946160991.db2.gz DRUYAJBQQOHRRD-FBUXBERBSA-N -1 3 384.444 -0.107 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]21 ZINC001573479510 946161593 /nfs/dbraw/zinc/16/15/93/946161593.db2.gz DRUYAJBQQOHRRD-QZKOUSHUSA-N -1 3 384.444 -0.107 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]21 ZINC001573479510 946161586 /nfs/dbraw/zinc/16/15/86/946161586.db2.gz DRUYAJBQQOHRRD-QZKOUSHUSA-N -1 3 384.444 -0.107 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCOCC1 ZINC001573479522 946161705 /nfs/dbraw/zinc/16/17/05/946161705.db2.gz DXYSVWKWPJUPQD-LLVKDONJSA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCOCC1 ZINC001573479522 946161702 /nfs/dbraw/zinc/16/17/02/946161702.db2.gz DXYSVWKWPJUPQD-LLVKDONJSA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCOCC1 ZINC001573479523 946163794 /nfs/dbraw/zinc/16/37/94/946163794.db2.gz DXYSVWKWPJUPQD-NSHDSACASA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCOCC1 ZINC001573479523 946163789 /nfs/dbraw/zinc/16/37/89/946163789.db2.gz DXYSVWKWPJUPQD-NSHDSACASA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC001573479536 946162914 /nfs/dbraw/zinc/16/29/14/946162914.db2.gz FBRGCFKDBNUFFS-LLVKDONJSA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC001573479536 946162906 /nfs/dbraw/zinc/16/29/06/946162906.db2.gz FBRGCFKDBNUFFS-LLVKDONJSA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC001573479537 946163826 /nfs/dbraw/zinc/16/38/26/946163826.db2.gz FBRGCFKDBNUFFS-NSHDSACASA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC001573479537 946163819 /nfs/dbraw/zinc/16/38/19/946163819.db2.gz FBRGCFKDBNUFFS-NSHDSACASA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573479592 946164328 /nfs/dbraw/zinc/16/43/28/946164328.db2.gz FRIRYZLAXMCRKS-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573479592 946164322 /nfs/dbraw/zinc/16/43/22/946164322.db2.gz FRIRYZLAXMCRKS-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573479593 946163196 /nfs/dbraw/zinc/16/31/96/946163196.db2.gz FRIRYZLAXMCRKS-RNCFNFMXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573479593 946163189 /nfs/dbraw/zinc/16/31/89/946163189.db2.gz FRIRYZLAXMCRKS-RNCFNFMXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573479594 946163750 /nfs/dbraw/zinc/16/37/50/946163750.db2.gz FRIRYZLAXMCRKS-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573479594 946163744 /nfs/dbraw/zinc/16/37/44/946163744.db2.gz FRIRYZLAXMCRKS-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573479595 946163886 /nfs/dbraw/zinc/16/38/86/946163886.db2.gz FRIRYZLAXMCRKS-ZANVPECISA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573479595 946163878 /nfs/dbraw/zinc/16/38/78/946163878.db2.gz FRIRYZLAXMCRKS-ZANVPECISA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573479612 946165373 /nfs/dbraw/zinc/16/53/73/946165373.db2.gz GBUMBSTVPCVULZ-JTQLQIEISA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573479612 946165369 /nfs/dbraw/zinc/16/53/69/946165369.db2.gz GBUMBSTVPCVULZ-JTQLQIEISA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573479613 946165669 /nfs/dbraw/zinc/16/56/69/946165669.db2.gz GBUMBSTVPCVULZ-SNVBAGLBSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573479613 946165665 /nfs/dbraw/zinc/16/56/65/946165665.db2.gz GBUMBSTVPCVULZ-SNVBAGLBSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573479786 946168944 /nfs/dbraw/zinc/16/89/44/946168944.db2.gz HHYWRBFBSHRRKI-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573479786 946168936 /nfs/dbraw/zinc/16/89/36/946168936.db2.gz HHYWRBFBSHRRKI-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573479787 946169040 /nfs/dbraw/zinc/16/90/40/946169040.db2.gz HHYWRBFBSHRRKI-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573479787 946169035 /nfs/dbraw/zinc/16/90/35/946169035.db2.gz HHYWRBFBSHRRKI-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573479788 946168568 /nfs/dbraw/zinc/16/85/68/946168568.db2.gz HHYWRBFBSHRRKI-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573479788 946168560 /nfs/dbraw/zinc/16/85/60/946168560.db2.gz HHYWRBFBSHRRKI-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573479789 946168190 /nfs/dbraw/zinc/16/81/90/946168190.db2.gz HHYWRBFBSHRRKI-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573479789 946168184 /nfs/dbraw/zinc/16/81/84/946168184.db2.gz HHYWRBFBSHRRKI-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573479942 946168797 /nfs/dbraw/zinc/16/87/97/946168797.db2.gz IGZHPDTWXWNXAJ-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573479942 946168789 /nfs/dbraw/zinc/16/87/89/946168789.db2.gz IGZHPDTWXWNXAJ-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573479943 946168622 /nfs/dbraw/zinc/16/86/22/946168622.db2.gz IGZHPDTWXWNXAJ-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573479943 946168611 /nfs/dbraw/zinc/16/86/11/946168611.db2.gz IGZHPDTWXWNXAJ-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573479944 946169014 /nfs/dbraw/zinc/16/90/14/946169014.db2.gz IGZHPDTWXWNXAJ-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573479944 946169009 /nfs/dbraw/zinc/16/90/09/946169009.db2.gz IGZHPDTWXWNXAJ-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573479945 946167971 /nfs/dbraw/zinc/16/79/71/946167971.db2.gz IGZHPDTWXWNXAJ-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573479945 946167968 /nfs/dbraw/zinc/16/79/68/946167968.db2.gz IGZHPDTWXWNXAJ-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001573479966 946171035 /nfs/dbraw/zinc/17/10/35/946171035.db2.gz ISARPAFYVRIGIO-APPDUMDISA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001573479966 946171029 /nfs/dbraw/zinc/17/10/29/946171029.db2.gz ISARPAFYVRIGIO-APPDUMDISA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001573479967 946170960 /nfs/dbraw/zinc/17/09/60/946170960.db2.gz ISARPAFYVRIGIO-DIFFPNOSSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001573479967 946170955 /nfs/dbraw/zinc/17/09/55/946170955.db2.gz ISARPAFYVRIGIO-DIFFPNOSSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001573479968 946170841 /nfs/dbraw/zinc/17/08/41/946170841.db2.gz ISARPAFYVRIGIO-GTNSWQLSSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001573479968 946170837 /nfs/dbraw/zinc/17/08/37/946170837.db2.gz ISARPAFYVRIGIO-GTNSWQLSSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC001573479969 946171139 /nfs/dbraw/zinc/17/11/39/946171139.db2.gz ISARPAFYVRIGIO-PIGZYNQJSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC001573479969 946171133 /nfs/dbraw/zinc/17/11/33/946171133.db2.gz ISARPAFYVRIGIO-PIGZYNQJSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573480022 946169969 /nfs/dbraw/zinc/16/99/69/946169969.db2.gz JILAFMCGWUJRIX-APPDUMDISA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573480022 946169963 /nfs/dbraw/zinc/16/99/63/946169963.db2.gz JILAFMCGWUJRIX-APPDUMDISA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573480023 946170445 /nfs/dbraw/zinc/17/04/45/946170445.db2.gz JILAFMCGWUJRIX-DIFFPNOSSA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573480023 946170439 /nfs/dbraw/zinc/17/04/39/946170439.db2.gz JILAFMCGWUJRIX-DIFFPNOSSA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573480024 946171350 /nfs/dbraw/zinc/17/13/50/946171350.db2.gz JILAFMCGWUJRIX-GTNSWQLSSA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573480024 946171344 /nfs/dbraw/zinc/17/13/44/946171344.db2.gz JILAFMCGWUJRIX-GTNSWQLSSA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573480025 946170947 /nfs/dbraw/zinc/17/09/47/946170947.db2.gz JILAFMCGWUJRIX-PIGZYNQJSA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573480025 946170944 /nfs/dbraw/zinc/17/09/44/946170944.db2.gz JILAFMCGWUJRIX-PIGZYNQJSA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573480028 946170892 /nfs/dbraw/zinc/17/08/92/946170892.db2.gz JKOMMTCGFHBKMS-APPDUMDISA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573480028 946170887 /nfs/dbraw/zinc/17/08/87/946170887.db2.gz JKOMMTCGFHBKMS-APPDUMDISA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573480029 946170725 /nfs/dbraw/zinc/17/07/25/946170725.db2.gz JKOMMTCGFHBKMS-DIFFPNOSSA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573480029 946170723 /nfs/dbraw/zinc/17/07/23/946170723.db2.gz JKOMMTCGFHBKMS-DIFFPNOSSA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573480030 946171068 /nfs/dbraw/zinc/17/10/68/946171068.db2.gz JKOMMTCGFHBKMS-GTNSWQLSSA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573480030 946171065 /nfs/dbraw/zinc/17/10/65/946171065.db2.gz JKOMMTCGFHBKMS-GTNSWQLSSA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573480031 946170920 /nfs/dbraw/zinc/17/09/20/946170920.db2.gz JKOMMTCGFHBKMS-PIGZYNQJSA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573480031 946170917 /nfs/dbraw/zinc/17/09/17/946170917.db2.gz JKOMMTCGFHBKMS-PIGZYNQJSA-N -1 3 388.432 -0.848 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573480244 946172781 /nfs/dbraw/zinc/17/27/81/946172781.db2.gz JRYLUZAZZIGYLV-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001573480244 946172777 /nfs/dbraw/zinc/17/27/77/946172777.db2.gz JRYLUZAZZIGYLV-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573480245 946173435 /nfs/dbraw/zinc/17/34/35/946173435.db2.gz JRYLUZAZZIGYLV-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001573480245 946173430 /nfs/dbraw/zinc/17/34/30/946173430.db2.gz JRYLUZAZZIGYLV-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573480328 946175685 /nfs/dbraw/zinc/17/56/85/946175685.db2.gz KQJRUVRJFBZMMM-STRQVWJDSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573480328 946175683 /nfs/dbraw/zinc/17/56/83/946175683.db2.gz KQJRUVRJFBZMMM-STRQVWJDSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21 ZINC001573480329 946175086 /nfs/dbraw/zinc/17/50/86/946175086.db2.gz KQJRUVRJFBZMMM-ZBPZKIAKSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21 ZINC001573480329 946175074 /nfs/dbraw/zinc/17/50/74/946175074.db2.gz KQJRUVRJFBZMMM-ZBPZKIAKSA-N -1 3 386.416 -0.846 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573480335 946175968 /nfs/dbraw/zinc/17/59/68/946175968.db2.gz KRSNBCVWNUFYNH-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573480335 946175961 /nfs/dbraw/zinc/17/59/61/946175961.db2.gz KRSNBCVWNUFYNH-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573480337 946175598 /nfs/dbraw/zinc/17/55/98/946175598.db2.gz KRSNBCVWNUFYNH-RNCFNFMXSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573480337 946175591 /nfs/dbraw/zinc/17/55/91/946175591.db2.gz KRSNBCVWNUFYNH-RNCFNFMXSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573480338 946175864 /nfs/dbraw/zinc/17/58/64/946175864.db2.gz KRSNBCVWNUFYNH-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573480338 946175861 /nfs/dbraw/zinc/17/58/61/946175861.db2.gz KRSNBCVWNUFYNH-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573480340 946175650 /nfs/dbraw/zinc/17/56/50/946175650.db2.gz KRSNBCVWNUFYNH-ZANVPECISA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573480340 946175645 /nfs/dbraw/zinc/17/56/45/946175645.db2.gz KRSNBCVWNUFYNH-ZANVPECISA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCCC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573480553 946175845 /nfs/dbraw/zinc/17/58/45/946175845.db2.gz KSPFRMNBMIROPA-JTQLQIEISA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCCC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573480553 946175841 /nfs/dbraw/zinc/17/58/41/946175841.db2.gz KSPFRMNBMIROPA-JTQLQIEISA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCCC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573480555 946175118 /nfs/dbraw/zinc/17/51/18/946175118.db2.gz KSPFRMNBMIROPA-SNVBAGLBSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCCC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573480555 946175112 /nfs/dbraw/zinc/17/51/12/946175112.db2.gz KSPFRMNBMIROPA-SNVBAGLBSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573480593 946175952 /nfs/dbraw/zinc/17/59/52/946175952.db2.gz LHJJDLSSGZBXCI-DOMZBBRYSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573480593 946175948 /nfs/dbraw/zinc/17/59/48/946175948.db2.gz LHJJDLSSGZBXCI-DOMZBBRYSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573480595 946175339 /nfs/dbraw/zinc/17/53/39/946175339.db2.gz LHJJDLSSGZBXCI-IUODEOHRSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573480595 946175334 /nfs/dbraw/zinc/17/53/34/946175334.db2.gz LHJJDLSSGZBXCI-IUODEOHRSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573480597 946175778 /nfs/dbraw/zinc/17/57/78/946175778.db2.gz LHJJDLSSGZBXCI-SWLSCSKDSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573480597 946175776 /nfs/dbraw/zinc/17/57/76/946175776.db2.gz LHJJDLSSGZBXCI-SWLSCSKDSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573480599 946174754 /nfs/dbraw/zinc/17/47/54/946174754.db2.gz LHJJDLSSGZBXCI-WFASDCNBSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573480599 946174741 /nfs/dbraw/zinc/17/47/41/946174741.db2.gz LHJJDLSSGZBXCI-WFASDCNBSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CCO1 ZINC001573480629 946174700 /nfs/dbraw/zinc/17/47/00/946174700.db2.gz LLEYOWYCKMJXPI-AAEUAGOBSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CCO1 ZINC001573480629 946174689 /nfs/dbraw/zinc/17/46/89/946174689.db2.gz LLEYOWYCKMJXPI-AAEUAGOBSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CCO1 ZINC001573480631 946175808 /nfs/dbraw/zinc/17/58/08/946175808.db2.gz LLEYOWYCKMJXPI-DGCLKSJQSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CCO1 ZINC001573480631 946175804 /nfs/dbraw/zinc/17/58/04/946175804.db2.gz LLEYOWYCKMJXPI-DGCLKSJQSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CCO1 ZINC001573480633 946175205 /nfs/dbraw/zinc/17/52/05/946175205.db2.gz LLEYOWYCKMJXPI-WCQYABFASA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CCO1 ZINC001573480633 946175197 /nfs/dbraw/zinc/17/51/97/946175197.db2.gz LLEYOWYCKMJXPI-WCQYABFASA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CCO1 ZINC001573480636 946175524 /nfs/dbraw/zinc/17/55/24/946175524.db2.gz LLEYOWYCKMJXPI-YPMHNXCESA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CCO1 ZINC001573480636 946175519 /nfs/dbraw/zinc/17/55/19/946175519.db2.gz LLEYOWYCKMJXPI-YPMHNXCESA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573480704 946178698 /nfs/dbraw/zinc/17/86/98/946178698.db2.gz MAYKCAIZWSUVOF-BXKDBHETSA-N -1 3 392.395 -0.753 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573480704 946178695 /nfs/dbraw/zinc/17/86/95/946178695.db2.gz MAYKCAIZWSUVOF-BXKDBHETSA-N -1 3 392.395 -0.753 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573480705 946176946 /nfs/dbraw/zinc/17/69/46/946176946.db2.gz MAYKCAIZWSUVOF-CABZTGNLSA-N -1 3 392.395 -0.753 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573480705 946176936 /nfs/dbraw/zinc/17/69/36/946176936.db2.gz MAYKCAIZWSUVOF-CABZTGNLSA-N -1 3 392.395 -0.753 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573480706 946177267 /nfs/dbraw/zinc/17/72/67/946177267.db2.gz MAYKCAIZWSUVOF-JOYOIKCWSA-N -1 3 392.395 -0.753 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573480706 946177264 /nfs/dbraw/zinc/17/72/64/946177264.db2.gz MAYKCAIZWSUVOF-JOYOIKCWSA-N -1 3 392.395 -0.753 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573480707 946177919 /nfs/dbraw/zinc/17/79/19/946177919.db2.gz MAYKCAIZWSUVOF-SKDRFNHKSA-N -1 3 392.395 -0.753 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573480707 946177912 /nfs/dbraw/zinc/17/79/12/946177912.db2.gz MAYKCAIZWSUVOF-SKDRFNHKSA-N -1 3 392.395 -0.753 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573480721 946176923 /nfs/dbraw/zinc/17/69/23/946176923.db2.gz MDFKOFDLRZEMSB-JTQLQIEISA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573480721 946176918 /nfs/dbraw/zinc/17/69/18/946176918.db2.gz MDFKOFDLRZEMSB-JTQLQIEISA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573480723 946178456 /nfs/dbraw/zinc/17/84/56/946178456.db2.gz MDFKOFDLRZEMSB-SNVBAGLBSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573480723 946178450 /nfs/dbraw/zinc/17/84/50/946178450.db2.gz MDFKOFDLRZEMSB-SNVBAGLBSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573480971 946177298 /nfs/dbraw/zinc/17/72/98/946177298.db2.gz NCJQBROWAWCZDY-CMPLNLGQSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573480971 946177293 /nfs/dbraw/zinc/17/72/93/946177293.db2.gz NCJQBROWAWCZDY-CMPLNLGQSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573480973 946178608 /nfs/dbraw/zinc/17/86/08/946178608.db2.gz NCJQBROWAWCZDY-JQWIXIFHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573480973 946178604 /nfs/dbraw/zinc/17/86/04/946178604.db2.gz NCJQBROWAWCZDY-JQWIXIFHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573480974 946178354 /nfs/dbraw/zinc/17/83/54/946178354.db2.gz NCJQBROWAWCZDY-PWSUYJOCSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573480974 946178346 /nfs/dbraw/zinc/17/83/46/946178346.db2.gz NCJQBROWAWCZDY-PWSUYJOCSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573480976 946178017 /nfs/dbraw/zinc/17/80/17/946178017.db2.gz NCJQBROWAWCZDY-ZYHUDNBSSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573480976 946178006 /nfs/dbraw/zinc/17/80/06/946178006.db2.gz NCJQBROWAWCZDY-ZYHUDNBSSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573481081 946179154 /nfs/dbraw/zinc/17/91/54/946179154.db2.gz NXJCTRRWOYNKHJ-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573481081 946179146 /nfs/dbraw/zinc/17/91/46/946179146.db2.gz NXJCTRRWOYNKHJ-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573481083 946180385 /nfs/dbraw/zinc/18/03/85/946180385.db2.gz NXJCTRRWOYNKHJ-RNCFNFMXSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573481083 946180378 /nfs/dbraw/zinc/18/03/78/946180378.db2.gz NXJCTRRWOYNKHJ-RNCFNFMXSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573481085 946180035 /nfs/dbraw/zinc/18/00/35/946180035.db2.gz NXJCTRRWOYNKHJ-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573481085 946180025 /nfs/dbraw/zinc/18/00/25/946180025.db2.gz NXJCTRRWOYNKHJ-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573481106 946180805 /nfs/dbraw/zinc/18/08/05/946180805.db2.gz NXJCTRRWOYNKHJ-ZANVPECISA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573481106 946180801 /nfs/dbraw/zinc/18/08/01/946180801.db2.gz NXJCTRRWOYNKHJ-ZANVPECISA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573481371 946181883 /nfs/dbraw/zinc/18/18/83/946181883.db2.gz OMIDVEUIGFMVCS-AAEUAGOBSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573481371 946181877 /nfs/dbraw/zinc/18/18/77/946181877.db2.gz OMIDVEUIGFMVCS-AAEUAGOBSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573481372 946182571 /nfs/dbraw/zinc/18/25/71/946182571.db2.gz OMIDVEUIGFMVCS-DGCLKSJQSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573481372 946182559 /nfs/dbraw/zinc/18/25/59/946182559.db2.gz OMIDVEUIGFMVCS-DGCLKSJQSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573481373 946182203 /nfs/dbraw/zinc/18/22/03/946182203.db2.gz OMIDVEUIGFMVCS-WCQYABFASA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573481373 946182194 /nfs/dbraw/zinc/18/21/94/946182194.db2.gz OMIDVEUIGFMVCS-WCQYABFASA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573481374 946181726 /nfs/dbraw/zinc/18/17/26/946181726.db2.gz OMIDVEUIGFMVCS-YPMHNXCESA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573481374 946181724 /nfs/dbraw/zinc/18/17/24/946181724.db2.gz OMIDVEUIGFMVCS-YPMHNXCESA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573481397 946181947 /nfs/dbraw/zinc/18/19/47/946181947.db2.gz PDTLWAFRHRRHCD-GWCFXTLKSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573481397 946181941 /nfs/dbraw/zinc/18/19/41/946181941.db2.gz PDTLWAFRHRRHCD-GWCFXTLKSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573481398 946183421 /nfs/dbraw/zinc/18/34/21/946183421.db2.gz PDTLWAFRHRRHCD-GXFFZTMASA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573481398 946183413 /nfs/dbraw/zinc/18/34/13/946183413.db2.gz PDTLWAFRHRRHCD-GXFFZTMASA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573481399 946183230 /nfs/dbraw/zinc/18/32/30/946183230.db2.gz PDTLWAFRHRRHCD-MFKMUULPSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573481399 946183224 /nfs/dbraw/zinc/18/32/24/946183224.db2.gz PDTLWAFRHRRHCD-MFKMUULPSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573481400 946181605 /nfs/dbraw/zinc/18/16/05/946181605.db2.gz PDTLWAFRHRRHCD-ZWNOBZJWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573481400 946181601 /nfs/dbraw/zinc/18/16/01/946181601.db2.gz PDTLWAFRHRRHCD-ZWNOBZJWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@H]21 ZINC001573481618 946184600 /nfs/dbraw/zinc/18/46/00/946184600.db2.gz QCSLFQKTYVGDSX-HKWIRBFKSA-N -1 3 390.473 -0.045 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@H]21 ZINC001573481619 946184998 /nfs/dbraw/zinc/18/49/98/946184998.db2.gz QCSLFQKTYVGDSX-PDEGPIFNSA-N -1 3 390.473 -0.045 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573481692 946184236 /nfs/dbraw/zinc/18/42/36/946184236.db2.gz RAEHGBHAKWXLIA-BLLLJJGKSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573481692 946184225 /nfs/dbraw/zinc/18/42/25/946184225.db2.gz RAEHGBHAKWXLIA-BLLLJJGKSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573481693 946185127 /nfs/dbraw/zinc/18/51/27/946185127.db2.gz RAEHGBHAKWXLIA-LRDDRELGSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573481693 946185119 /nfs/dbraw/zinc/18/51/19/946185119.db2.gz RAEHGBHAKWXLIA-LRDDRELGSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573481694 946185072 /nfs/dbraw/zinc/18/50/72/946185072.db2.gz RAEHGBHAKWXLIA-MLGOLLRUSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573481694 946185070 /nfs/dbraw/zinc/18/50/70/946185070.db2.gz RAEHGBHAKWXLIA-MLGOLLRUSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573481695 946184203 /nfs/dbraw/zinc/18/42/03/946184203.db2.gz RAEHGBHAKWXLIA-WBMJQRKESA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1 ZINC001573481695 946184194 /nfs/dbraw/zinc/18/41/94/946184194.db2.gz RAEHGBHAKWXLIA-WBMJQRKESA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573481727 946186865 /nfs/dbraw/zinc/18/68/65/946186865.db2.gz RINJBIOUWNCQJS-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573481727 946186857 /nfs/dbraw/zinc/18/68/57/946186857.db2.gz RINJBIOUWNCQJS-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573481728 946186679 /nfs/dbraw/zinc/18/66/79/946186679.db2.gz RINJBIOUWNCQJS-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573481728 946186670 /nfs/dbraw/zinc/18/66/70/946186670.db2.gz RINJBIOUWNCQJS-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573481803 946186732 /nfs/dbraw/zinc/18/67/32/946186732.db2.gz RINJBIOUWNCQJS-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573481803 946186727 /nfs/dbraw/zinc/18/67/27/946186727.db2.gz RINJBIOUWNCQJS-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573481804 946187469 /nfs/dbraw/zinc/18/74/69/946187469.db2.gz RINJBIOUWNCQJS-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573481804 946187462 /nfs/dbraw/zinc/18/74/62/946187462.db2.gz RINJBIOUWNCQJS-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]21 ZINC001573481815 946187016 /nfs/dbraw/zinc/18/70/16/946187016.db2.gz RNACQWRNZYOIPZ-FBUXBERBSA-N -1 3 384.444 -0.107 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]21 ZINC001573481815 946187011 /nfs/dbraw/zinc/18/70/11/946187011.db2.gz RNACQWRNZYOIPZ-FBUXBERBSA-N -1 3 384.444 -0.107 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@H]21 ZINC001573481817 946186345 /nfs/dbraw/zinc/18/63/45/946186345.db2.gz RNACQWRNZYOIPZ-QZKOUSHUSA-N -1 3 384.444 -0.107 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)c(C)n3)C[C@H]21 ZINC001573481817 946186337 /nfs/dbraw/zinc/18/63/37/946186337.db2.gz RNACQWRNZYOIPZ-QZKOUSHUSA-N -1 3 384.444 -0.107 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573481827 946187057 /nfs/dbraw/zinc/18/70/57/946187057.db2.gz RQTNOXJQZVVHJD-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001573481827 946187050 /nfs/dbraw/zinc/18/70/50/946187050.db2.gz RQTNOXJQZVVHJD-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573481828 946187849 /nfs/dbraw/zinc/18/78/49/946187849.db2.gz RQTNOXJQZVVHJD-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001573481828 946187841 /nfs/dbraw/zinc/18/78/41/946187841.db2.gz RQTNOXJQZVVHJD-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001573481835 946187440 /nfs/dbraw/zinc/18/74/40/946187440.db2.gz RTXSSFNJICPKHB-CMPLNLGQSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001573481835 946187433 /nfs/dbraw/zinc/18/74/33/946187433.db2.gz RTXSSFNJICPKHB-CMPLNLGQSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001573481836 946186586 /nfs/dbraw/zinc/18/65/86/946186586.db2.gz RTXSSFNJICPKHB-JQWIXIFHSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001573481836 946186579 /nfs/dbraw/zinc/18/65/79/946186579.db2.gz RTXSSFNJICPKHB-JQWIXIFHSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001573481837 946187320 /nfs/dbraw/zinc/18/73/20/946187320.db2.gz RTXSSFNJICPKHB-PWSUYJOCSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001573481837 946187315 /nfs/dbraw/zinc/18/73/15/946187315.db2.gz RTXSSFNJICPKHB-PWSUYJOCSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001573481838 946187035 /nfs/dbraw/zinc/18/70/35/946187035.db2.gz RTXSSFNJICPKHB-ZYHUDNBSSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001573481838 946187031 /nfs/dbraw/zinc/18/70/31/946187031.db2.gz RTXSSFNJICPKHB-ZYHUDNBSSA-N -1 3 391.407 -0.148 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CN(c2ncccc2-c2nn[n-]n2)CCO1 ZINC001573481861 946187405 /nfs/dbraw/zinc/18/74/05/946187405.db2.gz SDSHXYFVZNYDOG-APPDUMDISA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(C)CN(c2ncccc2-c2nnn[n-]2)CCO1 ZINC001573481861 946187398 /nfs/dbraw/zinc/18/73/98/946187398.db2.gz SDSHXYFVZNYDOG-APPDUMDISA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CN(c2ncccc2-c2nn[n-]n2)CCO1 ZINC001573481862 946187245 /nfs/dbraw/zinc/18/72/45/946187245.db2.gz SDSHXYFVZNYDOG-DIFFPNOSSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CN(c2ncccc2-c2nnn[n-]2)CCO1 ZINC001573481862 946187235 /nfs/dbraw/zinc/18/72/35/946187235.db2.gz SDSHXYFVZNYDOG-DIFFPNOSSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CN(c2ncccc2-c2nn[n-]n2)CCO1 ZINC001573481863 946187730 /nfs/dbraw/zinc/18/77/30/946187730.db2.gz SDSHXYFVZNYDOG-GTNSWQLSSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(C)CN(c2ncccc2-c2nnn[n-]2)CCO1 ZINC001573481863 946187725 /nfs/dbraw/zinc/18/77/25/946187725.db2.gz SDSHXYFVZNYDOG-GTNSWQLSSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CN(c2ncccc2-c2nn[n-]n2)CCO1 ZINC001573481864 946189974 /nfs/dbraw/zinc/18/99/74/946189974.db2.gz SDSHXYFVZNYDOG-PIGZYNQJSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CN(c2ncccc2-c2nnn[n-]2)CCO1 ZINC001573481864 946189970 /nfs/dbraw/zinc/18/99/70/946189970.db2.gz SDSHXYFVZNYDOG-PIGZYNQJSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573481873 946190089 /nfs/dbraw/zinc/19/00/89/946190089.db2.gz SHAPRMLGHMFZAP-CMPLNLGQSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573481873 946190087 /nfs/dbraw/zinc/19/00/87/946190087.db2.gz SHAPRMLGHMFZAP-CMPLNLGQSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573481874 946189793 /nfs/dbraw/zinc/18/97/93/946189793.db2.gz SHAPRMLGHMFZAP-JQWIXIFHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573481874 946189788 /nfs/dbraw/zinc/18/97/88/946189788.db2.gz SHAPRMLGHMFZAP-JQWIXIFHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573481875 946189292 /nfs/dbraw/zinc/18/92/92/946189292.db2.gz SHAPRMLGHMFZAP-PWSUYJOCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573481875 946189278 /nfs/dbraw/zinc/18/92/78/946189278.db2.gz SHAPRMLGHMFZAP-PWSUYJOCSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573481876 946189603 /nfs/dbraw/zinc/18/96/03/946189603.db2.gz SHAPRMLGHMFZAP-ZYHUDNBSSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573481876 946189594 /nfs/dbraw/zinc/18/95/94/946189594.db2.gz SHAPRMLGHMFZAP-ZYHUDNBSSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573481881 946190184 /nfs/dbraw/zinc/19/01/84/946190184.db2.gz SLWRLBQJZCEUQN-LLVKDONJSA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573481881 946190178 /nfs/dbraw/zinc/19/01/78/946190178.db2.gz SLWRLBQJZCEUQN-LLVKDONJSA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001573481882 946189385 /nfs/dbraw/zinc/18/93/85/946189385.db2.gz SLWRLBQJZCEUQN-NSHDSACASA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001573481882 946189376 /nfs/dbraw/zinc/18/93/76/946189376.db2.gz SLWRLBQJZCEUQN-NSHDSACASA-N -1 3 388.432 -0.136 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573481887 946189928 /nfs/dbraw/zinc/18/99/28/946189928.db2.gz SQBAOMRLFDOCBV-BMLIUANNSA-N -1 3 391.407 -0.412 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@]1(O)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573481887 946189922 /nfs/dbraw/zinc/18/99/22/946189922.db2.gz SQBAOMRLFDOCBV-BMLIUANNSA-N -1 3 391.407 -0.412 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573481888 946189871 /nfs/dbraw/zinc/18/98/71/946189871.db2.gz SQBAOMRLFDOCBV-BTDLBPIBSA-N -1 3 391.407 -0.412 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@]1(O)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573481888 946189869 /nfs/dbraw/zinc/18/98/69/946189869.db2.gz SQBAOMRLFDOCBV-BTDLBPIBSA-N -1 3 391.407 -0.412 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573481889 946190017 /nfs/dbraw/zinc/19/00/17/946190017.db2.gz SQBAOMRLFDOCBV-DYZYQPBXSA-N -1 3 391.407 -0.412 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@]1(O)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573481889 946190014 /nfs/dbraw/zinc/19/00/14/946190014.db2.gz SQBAOMRLFDOCBV-DYZYQPBXSA-N -1 3 391.407 -0.412 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573481890 946189037 /nfs/dbraw/zinc/18/90/37/946189037.db2.gz SQBAOMRLFDOCBV-QGHHPUGFSA-N -1 3 391.407 -0.412 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@]1(O)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573481890 946189032 /nfs/dbraw/zinc/18/90/32/946189032.db2.gz SQBAOMRLFDOCBV-QGHHPUGFSA-N -1 3 391.407 -0.412 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573482017 946190204 /nfs/dbraw/zinc/19/02/04/946190204.db2.gz SXMYEKPNFBZRDB-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573482017 946190199 /nfs/dbraw/zinc/19/01/99/946190199.db2.gz SXMYEKPNFBZRDB-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573482018 946190140 /nfs/dbraw/zinc/19/01/40/946190140.db2.gz SXMYEKPNFBZRDB-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573482018 946190137 /nfs/dbraw/zinc/19/01/37/946190137.db2.gz SXMYEKPNFBZRDB-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573482039 946188830 /nfs/dbraw/zinc/18/88/30/946188830.db2.gz TWMYEOJKFZGTIY-JTQLQIEISA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573482039 946188814 /nfs/dbraw/zinc/18/88/14/946188814.db2.gz TWMYEOJKFZGTIY-JTQLQIEISA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573482040 946188794 /nfs/dbraw/zinc/18/87/94/946188794.db2.gz TWMYEOJKFZGTIY-SNVBAGLBSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(O)CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573482040 946188785 /nfs/dbraw/zinc/18/87/85/946188785.db2.gz TWMYEOJKFZGTIY-SNVBAGLBSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1=CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573482041 946189548 /nfs/dbraw/zinc/18/95/48/946189548.db2.gz UAEDLAKWYLXHCK-JTQLQIEISA-N -1 3 386.416 -0.392 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1=CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573482041 946189541 /nfs/dbraw/zinc/18/95/41/946189541.db2.gz UAEDLAKWYLXHCK-JTQLQIEISA-N -1 3 386.416 -0.392 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1=CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573482042 946188733 /nfs/dbraw/zinc/18/87/33/946188733.db2.gz UAEDLAKWYLXHCK-SNVBAGLBSA-N -1 3 386.416 -0.392 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1=CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573482042 946188722 /nfs/dbraw/zinc/18/87/22/946188722.db2.gz UAEDLAKWYLXHCK-SNVBAGLBSA-N -1 3 386.416 -0.392 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001573482045 946191853 /nfs/dbraw/zinc/19/18/53/946191853.db2.gz UBCFHCILDSPQNJ-AAEUAGOBSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001573482045 946191843 /nfs/dbraw/zinc/19/18/43/946191843.db2.gz UBCFHCILDSPQNJ-AAEUAGOBSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001573482046 946192622 /nfs/dbraw/zinc/19/26/22/946192622.db2.gz UBCFHCILDSPQNJ-DGCLKSJQSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1COCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001573482046 946192614 /nfs/dbraw/zinc/19/26/14/946192614.db2.gz UBCFHCILDSPQNJ-DGCLKSJQSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001573482047 946191193 /nfs/dbraw/zinc/19/11/93/946191193.db2.gz UBCFHCILDSPQNJ-WCQYABFASA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1COCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001573482047 946191187 /nfs/dbraw/zinc/19/11/87/946191187.db2.gz UBCFHCILDSPQNJ-WCQYABFASA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nn[n-]n1 ZINC001573482048 946191823 /nfs/dbraw/zinc/19/18/23/946191823.db2.gz UBCFHCILDSPQNJ-YPMHNXCESA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1COCCN1c1nc(C)ccc1-c1nnn[n-]1 ZINC001573482048 946191812 /nfs/dbraw/zinc/19/18/12/946191812.db2.gz UBCFHCILDSPQNJ-YPMHNXCESA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573482051 946191114 /nfs/dbraw/zinc/19/11/14/946191114.db2.gz UBOKJKAYLBSHHM-SECBINFHSA-N -1 3 379.446 -0.884 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573482052 946191215 /nfs/dbraw/zinc/19/12/15/946191215.db2.gz UBOKJKAYLBSHHM-VIFPVBQESA-N -1 3 379.446 -0.884 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573482073 946192407 /nfs/dbraw/zinc/19/24/07/946192407.db2.gz UQCDAIUWIPAPLM-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573482073 946192401 /nfs/dbraw/zinc/19/24/01/946192401.db2.gz UQCDAIUWIPAPLM-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573482074 946192597 /nfs/dbraw/zinc/19/25/97/946192597.db2.gz UQCDAIUWIPAPLM-RNCFNFMXSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573482074 946192591 /nfs/dbraw/zinc/19/25/91/946192591.db2.gz UQCDAIUWIPAPLM-RNCFNFMXSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573482075 946192318 /nfs/dbraw/zinc/19/23/18/946192318.db2.gz UQCDAIUWIPAPLM-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573482075 946192313 /nfs/dbraw/zinc/19/23/13/946192313.db2.gz UQCDAIUWIPAPLM-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573482076 946191382 /nfs/dbraw/zinc/19/13/82/946191382.db2.gz UQCDAIUWIPAPLM-ZANVPECISA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573482076 946191371 /nfs/dbraw/zinc/19/13/71/946191371.db2.gz UQCDAIUWIPAPLM-ZANVPECISA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573482297 946193266 /nfs/dbraw/zinc/19/32/66/946193266.db2.gz WHKGDWLTMWUYMW-BLLLJJGKSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573482297 946193257 /nfs/dbraw/zinc/19/32/57/946193257.db2.gz WHKGDWLTMWUYMW-BLLLJJGKSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573482298 946194838 /nfs/dbraw/zinc/19/48/38/946194838.db2.gz WHKGDWLTMWUYMW-LRDDRELGSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573482298 946194825 /nfs/dbraw/zinc/19/48/25/946194825.db2.gz WHKGDWLTMWUYMW-LRDDRELGSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573482299 946194726 /nfs/dbraw/zinc/19/47/26/946194726.db2.gz WHKGDWLTMWUYMW-MLGOLLRUSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573482299 946194717 /nfs/dbraw/zinc/19/47/17/946194717.db2.gz WHKGDWLTMWUYMW-MLGOLLRUSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573482300 946193329 /nfs/dbraw/zinc/19/33/29/946193329.db2.gz WHKGDWLTMWUYMW-WBMJQRKESA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001573482300 946193320 /nfs/dbraw/zinc/19/33/20/946193320.db2.gz WHKGDWLTMWUYMW-WBMJQRKESA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573482465 946196476 /nfs/dbraw/zinc/19/64/76/946196476.db2.gz WTHFFWUSXQDDKF-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573482465 946196470 /nfs/dbraw/zinc/19/64/70/946196470.db2.gz WTHFFWUSXQDDKF-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573482466 946195854 /nfs/dbraw/zinc/19/58/54/946195854.db2.gz WTHFFWUSXQDDKF-RNCFNFMXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573482466 946195852 /nfs/dbraw/zinc/19/58/52/946195852.db2.gz WTHFFWUSXQDDKF-RNCFNFMXSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573482467 946195967 /nfs/dbraw/zinc/19/59/67/946195967.db2.gz WTHFFWUSXQDDKF-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573482467 946195963 /nfs/dbraw/zinc/19/59/63/946195963.db2.gz WTHFFWUSXQDDKF-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573482468 946195668 /nfs/dbraw/zinc/19/56/68/946195668.db2.gz WTHFFWUSXQDDKF-ZANVPECISA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573482468 946195662 /nfs/dbraw/zinc/19/56/62/946195662.db2.gz WTHFFWUSXQDDKF-ZANVPECISA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573482491 946195775 /nfs/dbraw/zinc/19/57/75/946195775.db2.gz WYDRJYOHTSFKSG-GWCFXTLKSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573482491 946195771 /nfs/dbraw/zinc/19/57/71/946195771.db2.gz WYDRJYOHTSFKSG-GWCFXTLKSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573482492 946196842 /nfs/dbraw/zinc/19/68/42/946196842.db2.gz WYDRJYOHTSFKSG-GXFFZTMASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573482492 946196832 /nfs/dbraw/zinc/19/68/32/946196832.db2.gz WYDRJYOHTSFKSG-GXFFZTMASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573482493 946195618 /nfs/dbraw/zinc/19/56/18/946195618.db2.gz WYDRJYOHTSFKSG-MFKMUULPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573482493 946195615 /nfs/dbraw/zinc/19/56/15/946195615.db2.gz WYDRJYOHTSFKSG-MFKMUULPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573482494 946196418 /nfs/dbraw/zinc/19/64/18/946196418.db2.gz WYDRJYOHTSFKSG-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573482494 946196412 /nfs/dbraw/zinc/19/64/12/946196412.db2.gz WYDRJYOHTSFKSG-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573482511 946195651 /nfs/dbraw/zinc/19/56/51/946195651.db2.gz XCTKSWWCHWJXLF-GMSGAONNSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573482511 946195648 /nfs/dbraw/zinc/19/56/48/946195648.db2.gz XCTKSWWCHWJXLF-GMSGAONNSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573482513 946195925 /nfs/dbraw/zinc/19/59/25/946195925.db2.gz XCTKSWWCHWJXLF-OIBJUYFYSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573482513 946195920 /nfs/dbraw/zinc/19/59/20/946195920.db2.gz XCTKSWWCHWJXLF-OIBJUYFYSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573482514 946196399 /nfs/dbraw/zinc/19/63/99/946196399.db2.gz XCTKSWWCHWJXLF-XCBNKYQSSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573482514 946196393 /nfs/dbraw/zinc/19/63/93/946196393.db2.gz XCTKSWWCHWJXLF-XCBNKYQSSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573482515 946196688 /nfs/dbraw/zinc/19/66/88/946196688.db2.gz XCTKSWWCHWJXLF-XVKPBYJWSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573482515 946196680 /nfs/dbraw/zinc/19/66/80/946196680.db2.gz XCTKSWWCHWJXLF-XVKPBYJWSA-N -1 3 382.812 -0.671 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573482516 946196642 /nfs/dbraw/zinc/19/66/42/946196642.db2.gz XDTQBJUEMSPGGZ-BLLLJJGKSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573482516 946196633 /nfs/dbraw/zinc/19/66/33/946196633.db2.gz XDTQBJUEMSPGGZ-BLLLJJGKSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573482517 946195748 /nfs/dbraw/zinc/19/57/48/946195748.db2.gz XDTQBJUEMSPGGZ-LRDDRELGSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573482517 946195742 /nfs/dbraw/zinc/19/57/42/946195742.db2.gz XDTQBJUEMSPGGZ-LRDDRELGSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573482518 946195994 /nfs/dbraw/zinc/19/59/94/946195994.db2.gz XDTQBJUEMSPGGZ-MLGOLLRUSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573482518 946195989 /nfs/dbraw/zinc/19/59/89/946195989.db2.gz XDTQBJUEMSPGGZ-MLGOLLRUSA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573482519 946196192 /nfs/dbraw/zinc/19/61/92/946196192.db2.gz XDTQBJUEMSPGGZ-WBMJQRKESA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573482519 946196190 /nfs/dbraw/zinc/19/61/90/946196190.db2.gz XDTQBJUEMSPGGZ-WBMJQRKESA-N -1 3 387.444 -0.292 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCO1 ZINC001573482526 946196135 /nfs/dbraw/zinc/19/61/35/946196135.db2.gz XKMDVVAPGWQSBV-AAEUAGOBSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCO1 ZINC001573482526 946196128 /nfs/dbraw/zinc/19/61/28/946196128.db2.gz XKMDVVAPGWQSBV-AAEUAGOBSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCO1 ZINC001573482527 946198180 /nfs/dbraw/zinc/19/81/80/946198180.db2.gz XKMDVVAPGWQSBV-DGCLKSJQSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCO1 ZINC001573482527 946198175 /nfs/dbraw/zinc/19/81/75/946198175.db2.gz XKMDVVAPGWQSBV-DGCLKSJQSA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCO1 ZINC001573482528 946198156 /nfs/dbraw/zinc/19/81/56/946198156.db2.gz XKMDVVAPGWQSBV-WCQYABFASA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCO1 ZINC001573482528 946198149 /nfs/dbraw/zinc/19/81/49/946198149.db2.gz XKMDVVAPGWQSBV-WCQYABFASA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCO1 ZINC001573482529 946199280 /nfs/dbraw/zinc/19/92/80/946199280.db2.gz XKMDVVAPGWQSBV-YPMHNXCESA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCO1 ZINC001573482529 946199273 /nfs/dbraw/zinc/19/92/73/946199273.db2.gz XKMDVVAPGWQSBV-YPMHNXCESA-N -1 3 388.432 -0.584 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573482534 946198258 /nfs/dbraw/zinc/19/82/58/946198258.db2.gz XNCQKOLXHHNCAD-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573482534 946198252 /nfs/dbraw/zinc/19/82/52/946198252.db2.gz XNCQKOLXHHNCAD-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573482535 946198809 /nfs/dbraw/zinc/19/88/09/946198809.db2.gz XNCQKOLXHHNCAD-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573482535 946198798 /nfs/dbraw/zinc/19/87/98/946198798.db2.gz XNCQKOLXHHNCAD-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001573482538 946198341 /nfs/dbraw/zinc/19/83/41/946198341.db2.gz XOQJIFJPDLQGEJ-BXUZGUMPSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001573482538 946198335 /nfs/dbraw/zinc/19/83/35/946198335.db2.gz XOQJIFJPDLQGEJ-BXUZGUMPSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001573482539 946197957 /nfs/dbraw/zinc/19/79/57/946197957.db2.gz XOQJIFJPDLQGEJ-FZMZJTMJSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001573482539 946197956 /nfs/dbraw/zinc/19/79/56/946197956.db2.gz XOQJIFJPDLQGEJ-FZMZJTMJSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001573482540 946197992 /nfs/dbraw/zinc/19/79/92/946197992.db2.gz XOQJIFJPDLQGEJ-RISCZKNCSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001573482540 946197990 /nfs/dbraw/zinc/19/79/90/946197990.db2.gz XOQJIFJPDLQGEJ-RISCZKNCSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCCO1 ZINC001573482541 946198925 /nfs/dbraw/zinc/19/89/25/946198925.db2.gz XOQJIFJPDLQGEJ-SMDDNHRTSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCCO1 ZINC001573482541 946198914 /nfs/dbraw/zinc/19/89/14/946198914.db2.gz XOQJIFJPDLQGEJ-SMDDNHRTSA-N -1 3 388.432 -0.502 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573482558 946198229 /nfs/dbraw/zinc/19/82/29/946198229.db2.gz XZUYNSFEHNYBRG-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573482558 946198222 /nfs/dbraw/zinc/19/82/22/946198222.db2.gz XZUYNSFEHNYBRG-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573482559 946197999 /nfs/dbraw/zinc/19/79/99/946197999.db2.gz XZUYNSFEHNYBRG-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573482559 946197998 /nfs/dbraw/zinc/19/79/98/946197998.db2.gz XZUYNSFEHNYBRG-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573482560 946199259 /nfs/dbraw/zinc/19/92/59/946199259.db2.gz YAQOFUXYORZCDH-GXSJLCMTSA-N -1 3 376.396 -0.132 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573482560 946199255 /nfs/dbraw/zinc/19/92/55/946199255.db2.gz YAQOFUXYORZCDH-GXSJLCMTSA-N -1 3 376.396 -0.132 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573482561 946198037 /nfs/dbraw/zinc/19/80/37/946198037.db2.gz YAQOFUXYORZCDH-KOLCDFICSA-N -1 3 376.396 -0.132 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573482561 946198033 /nfs/dbraw/zinc/19/80/33/946198033.db2.gz YAQOFUXYORZCDH-KOLCDFICSA-N -1 3 376.396 -0.132 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573482562 946199238 /nfs/dbraw/zinc/19/92/38/946199238.db2.gz YAQOFUXYORZCDH-MWLCHTKSSA-N -1 3 376.396 -0.132 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573482562 946199231 /nfs/dbraw/zinc/19/92/31/946199231.db2.gz YAQOFUXYORZCDH-MWLCHTKSSA-N -1 3 376.396 -0.132 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573482563 946198097 /nfs/dbraw/zinc/19/80/97/946198097.db2.gz YAQOFUXYORZCDH-ONGXEEELSA-N -1 3 376.396 -0.132 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573482563 946198095 /nfs/dbraw/zinc/19/80/95/946198095.db2.gz YAQOFUXYORZCDH-ONGXEEELSA-N -1 3 376.396 -0.132 20 0 GBADHM 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CC(=O)N[C@@H](C)C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573483263 946205482 /nfs/dbraw/zinc/20/54/82/946205482.db2.gz CWNUGPKMFXSIMQ-LBPRGKRZSA-N -1 3 387.448 -0.976 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573483263 946205470 /nfs/dbraw/zinc/20/54/70/946205470.db2.gz CWNUGPKMFXSIMQ-LBPRGKRZSA-N -1 3 387.448 -0.976 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573483345 946205846 /nfs/dbraw/zinc/20/58/46/946205846.db2.gz DOOZZDUAKUILRX-DYLAAIIWSA-N -1 3 377.380 -0.804 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573483345 946205838 /nfs/dbraw/zinc/20/58/38/946205838.db2.gz DOOZZDUAKUILRX-DYLAAIIWSA-N -1 3 377.380 -0.804 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573483348 946208278 /nfs/dbraw/zinc/20/82/78/946208278.db2.gz DOOZZDUAKUILRX-KDDOJWQBSA-N -1 3 377.380 -0.804 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573483348 946208272 /nfs/dbraw/zinc/20/82/72/946208272.db2.gz DOOZZDUAKUILRX-KDDOJWQBSA-N -1 3 377.380 -0.804 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573483350 946208305 /nfs/dbraw/zinc/20/83/05/946208305.db2.gz DOOZZDUAKUILRX-RLCGTCKNSA-N -1 3 377.380 -0.804 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573483350 946208295 /nfs/dbraw/zinc/20/82/95/946208295.db2.gz DOOZZDUAKUILRX-RLCGTCKNSA-N -1 3 377.380 -0.804 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573483351 946209001 /nfs/dbraw/zinc/20/90/01/946209001.db2.gz DOOZZDUAKUILRX-XTWCZFFVSA-N -1 3 377.380 -0.804 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573483351 946208993 /nfs/dbraw/zinc/20/89/93/946208993.db2.gz DOOZZDUAKUILRX-XTWCZFFVSA-N -1 3 377.380 -0.804 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573483362 946209101 /nfs/dbraw/zinc/20/91/01/946209101.db2.gz DZGKWEHUJHHYHK-DFKRKDTASA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001573483362 946209092 /nfs/dbraw/zinc/20/90/92/946209092.db2.gz DZGKWEHUJHHYHK-DFKRKDTASA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573483363 946209378 /nfs/dbraw/zinc/20/93/78/946209378.db2.gz DZGKWEHUJHHYHK-TZTCFGBESA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001573483363 946209371 /nfs/dbraw/zinc/20/93/71/946209371.db2.gz DZGKWEHUJHHYHK-TZTCFGBESA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573483376 946209808 /nfs/dbraw/zinc/20/98/08/946209808.db2.gz FFBBNLITTGRBAI-OASPWFOLSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573483376 946209802 /nfs/dbraw/zinc/20/98/02/946209802.db2.gz FFBBNLITTGRBAI-OASPWFOLSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573483377 946208833 /nfs/dbraw/zinc/20/88/33/946208833.db2.gz FFBBNLITTGRBAI-ZWKOPEQDSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573483377 946208823 /nfs/dbraw/zinc/20/88/23/946208823.db2.gz FFBBNLITTGRBAI-ZWKOPEQDSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001573483974 946210909 /nfs/dbraw/zinc/21/09/09/946210909.db2.gz IHHAJVJLHCXARO-AMFBXLIHSA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001573483975 946212690 /nfs/dbraw/zinc/21/26/90/946212690.db2.gz IHHAJVJLHCXARO-DFKRKDTASA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@H]1O ZINC001573483976 946212883 /nfs/dbraw/zinc/21/28/83/946212883.db2.gz IHHAJVJLHCXARO-TZTCFGBESA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C[C@@H]1O ZINC001573483977 946212458 /nfs/dbraw/zinc/21/24/58/946212458.db2.gz IHHAJVJLHCXARO-ZWZTZDBGSA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573483997 946212560 /nfs/dbraw/zinc/21/25/60/946212560.db2.gz JDGPLDBRUHYYNN-GFCCVEGCSA-N -1 3 387.448 -0.976 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573483997 946212553 /nfs/dbraw/zinc/21/25/53/946212553.db2.gz JDGPLDBRUHYYNN-GFCCVEGCSA-N -1 3 387.448 -0.976 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCCN1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573483998 946213955 /nfs/dbraw/zinc/21/39/55/946213955.db2.gz JDGPLDBRUHYYNN-LBPRGKRZSA-N -1 3 387.448 -0.976 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCCN1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573483998 946213945 /nfs/dbraw/zinc/21/39/45/946213945.db2.gz JDGPLDBRUHYYNN-LBPRGKRZSA-N -1 3 387.448 -0.976 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573484051 946215504 /nfs/dbraw/zinc/21/55/04/946215504.db2.gz JVVLECMGDOUGNT-NXEZZACHSA-N -1 3 376.421 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573484051 946215493 /nfs/dbraw/zinc/21/54/93/946215493.db2.gz JVVLECMGDOUGNT-NXEZZACHSA-N -1 3 376.421 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573484052 946214364 /nfs/dbraw/zinc/21/43/64/946214364.db2.gz JVVLECMGDOUGNT-UWVGGRQHSA-N -1 3 376.421 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573484052 946214356 /nfs/dbraw/zinc/21/43/56/946214356.db2.gz JVVLECMGDOUGNT-UWVGGRQHSA-N -1 3 376.421 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573484053 946215962 /nfs/dbraw/zinc/21/59/62/946215962.db2.gz JVVLECMGDOUGNT-VHSXEESVSA-N -1 3 376.421 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573484053 946215953 /nfs/dbraw/zinc/21/59/53/946215953.db2.gz JVVLECMGDOUGNT-VHSXEESVSA-N -1 3 376.421 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573484054 946214726 /nfs/dbraw/zinc/21/47/26/946214726.db2.gz JVVLECMGDOUGNT-ZJUUUORDSA-N -1 3 376.421 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573484054 946214720 /nfs/dbraw/zinc/21/47/20/946214720.db2.gz JVVLECMGDOUGNT-ZJUUUORDSA-N -1 3 376.421 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001573484087 946213591 /nfs/dbraw/zinc/21/35/91/946213591.db2.gz KCOKDAGRLSHHRH-CKYFFXLPSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001573484087 946213585 /nfs/dbraw/zinc/21/35/85/946213585.db2.gz KCOKDAGRLSHHRH-CKYFFXLPSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001573484089 946214077 /nfs/dbraw/zinc/21/40/77/946214077.db2.gz KCOKDAGRLSHHRH-JFGNBEQYSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001573484089 946214069 /nfs/dbraw/zinc/21/40/69/946214069.db2.gz KCOKDAGRLSHHRH-JFGNBEQYSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573484360 946214229 /nfs/dbraw/zinc/21/42/29/946214229.db2.gz KQKCNPVPSIEAFS-NKBRHBOISA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573484360 946214223 /nfs/dbraw/zinc/21/42/23/946214223.db2.gz KQKCNPVPSIEAFS-NKBRHBOISA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573484364 946214795 /nfs/dbraw/zinc/21/47/95/946214795.db2.gz KQKCNPVPSIEAFS-OIUVXRBSSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573484364 946214784 /nfs/dbraw/zinc/21/47/84/946214784.db2.gz KQKCNPVPSIEAFS-OIUVXRBSSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O ZINC001573484422 946218365 /nfs/dbraw/zinc/21/83/65/946218365.db2.gz LFONOWOIPCEZKG-AMFBXLIHSA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001573484422 946218349 /nfs/dbraw/zinc/21/83/49/946218349.db2.gz LFONOWOIPCEZKG-AMFBXLIHSA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O ZINC001573484423 946216955 /nfs/dbraw/zinc/21/69/55/946216955.db2.gz LFONOWOIPCEZKG-DFKRKDTASA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001573484423 946216946 /nfs/dbraw/zinc/21/69/46/946216946.db2.gz LFONOWOIPCEZKG-DFKRKDTASA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@H]1O ZINC001573484424 946217955 /nfs/dbraw/zinc/21/79/55/946217955.db2.gz LFONOWOIPCEZKG-TZTCFGBESA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001573484424 946217941 /nfs/dbraw/zinc/21/79/41/946217941.db2.gz LFONOWOIPCEZKG-TZTCFGBESA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C[C@@H]1O ZINC001573484425 946217206 /nfs/dbraw/zinc/21/72/06/946217206.db2.gz LFONOWOIPCEZKG-ZWZTZDBGSA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001573484425 946217192 /nfs/dbraw/zinc/21/71/92/946217192.db2.gz LFONOWOIPCEZKG-ZWZTZDBGSA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573484426 946218475 /nfs/dbraw/zinc/21/84/75/946218475.db2.gz LGDAORSKMBPADH-SUZMYJTESA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573484426 946218463 /nfs/dbraw/zinc/21/84/63/946218463.db2.gz LGDAORSKMBPADH-SUZMYJTESA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573484427 946218595 /nfs/dbraw/zinc/21/85/95/946218595.db2.gz LGDAORSKMBPADH-XHVZSJERSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573484427 946218585 /nfs/dbraw/zinc/21/85/85/946218585.db2.gz LGDAORSKMBPADH-XHVZSJERSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573484455 946216567 /nfs/dbraw/zinc/21/65/67/946216567.db2.gz LSYLWRIDOPQEOG-CMPLNLGQSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573484455 946216558 /nfs/dbraw/zinc/21/65/58/946216558.db2.gz LSYLWRIDOPQEOG-CMPLNLGQSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573484457 946219041 /nfs/dbraw/zinc/21/90/41/946219041.db2.gz LSYLWRIDOPQEOG-ZYHUDNBSSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573484457 946219031 /nfs/dbraw/zinc/21/90/31/946219031.db2.gz LSYLWRIDOPQEOG-ZYHUDNBSSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573484467 946218094 /nfs/dbraw/zinc/21/80/94/946218094.db2.gz MBTCGCPHFRMHMV-MVWJERBFSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573484467 946218082 /nfs/dbraw/zinc/21/80/82/946218082.db2.gz MBTCGCPHFRMHMV-MVWJERBFSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573484468 946217446 /nfs/dbraw/zinc/21/74/46/946217446.db2.gz MBTCGCPHFRMHMV-YUSALJHKSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573484468 946217436 /nfs/dbraw/zinc/21/74/36/946217436.db2.gz MBTCGCPHFRMHMV-YUSALJHKSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573484919 946220631 /nfs/dbraw/zinc/22/06/31/946220631.db2.gz NFWTZDJSESXHNI-GXFFZTMASA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573484919 946220620 /nfs/dbraw/zinc/22/06/20/946220620.db2.gz NFWTZDJSESXHNI-GXFFZTMASA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573484920 946221508 /nfs/dbraw/zinc/22/15/08/946221508.db2.gz NFWTZDJSESXHNI-ZWNOBZJWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573484920 946221503 /nfs/dbraw/zinc/22/15/03/946221503.db2.gz NFWTZDJSESXHNI-ZWNOBZJWSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573484933 946220132 /nfs/dbraw/zinc/22/01/32/946220132.db2.gz NNULQQAGWSTDJC-GWCFXTLKSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573484933 946220120 /nfs/dbraw/zinc/22/01/20/946220120.db2.gz NNULQQAGWSTDJC-GWCFXTLKSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573484934 946219847 /nfs/dbraw/zinc/21/98/47/946219847.db2.gz NNULQQAGWSTDJC-GXFFZTMASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573484934 946219836 /nfs/dbraw/zinc/21/98/36/946219836.db2.gz NNULQQAGWSTDJC-GXFFZTMASA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573484935 946221641 /nfs/dbraw/zinc/22/16/41/946221641.db2.gz NNULQQAGWSTDJC-MFKMUULPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573484935 946221632 /nfs/dbraw/zinc/22/16/32/946221632.db2.gz NNULQQAGWSTDJC-MFKMUULPSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573484936 946220323 /nfs/dbraw/zinc/22/03/23/946220323.db2.gz NNULQQAGWSTDJC-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573484936 946220314 /nfs/dbraw/zinc/22/03/14/946220314.db2.gz NNULQQAGWSTDJC-ZWNOBZJWSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573484943 946219418 /nfs/dbraw/zinc/21/94/18/946219418.db2.gz NYGFYSIRUSMKBO-GFCCVEGCSA-N -1 3 387.448 -0.976 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573484943 946219406 /nfs/dbraw/zinc/21/94/06/946219406.db2.gz NYGFYSIRUSMKBO-GFCCVEGCSA-N -1 3 387.448 -0.976 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCCN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573484945 946219719 /nfs/dbraw/zinc/21/97/19/946219719.db2.gz NYGFYSIRUSMKBO-LBPRGKRZSA-N -1 3 387.448 -0.976 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573484945 946219709 /nfs/dbraw/zinc/21/97/09/946219709.db2.gz NYGFYSIRUSMKBO-LBPRGKRZSA-N -1 3 387.448 -0.976 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573484946 946220295 /nfs/dbraw/zinc/22/02/95/946220295.db2.gz NZZUDYOWWSJQML-OASPWFOLSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573484946 946220283 /nfs/dbraw/zinc/22/02/83/946220283.db2.gz NZZUDYOWWSJQML-OASPWFOLSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573484949 946222071 /nfs/dbraw/zinc/22/20/71/946222071.db2.gz NZZUDYOWWSJQML-ZWKOPEQDSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573484949 946222059 /nfs/dbraw/zinc/22/20/59/946222059.db2.gz NZZUDYOWWSJQML-ZWKOPEQDSA-N -1 3 388.432 -0.123 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1O ZINC001573484991 946221938 /nfs/dbraw/zinc/22/19/38/946221938.db2.gz OWPZIMKZJVUQNE-AMFBXLIHSA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1O ZINC001573484992 946219948 /nfs/dbraw/zinc/21/99/48/946219948.db2.gz OWPZIMKZJVUQNE-ZWZTZDBGSA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573485345 946224846 /nfs/dbraw/zinc/22/48/46/946224846.db2.gz QRNFKYXIWNLQHL-SUZMYJTESA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573485345 946224836 /nfs/dbraw/zinc/22/48/36/946224836.db2.gz QRNFKYXIWNLQHL-SUZMYJTESA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573485346 946223518 /nfs/dbraw/zinc/22/35/18/946223518.db2.gz QRNFKYXIWNLQHL-XHVZSJERSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573485346 946223506 /nfs/dbraw/zinc/22/35/06/946223506.db2.gz QRNFKYXIWNLQHL-XHVZSJERSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573485420 946228034 /nfs/dbraw/zinc/22/80/34/946228034.db2.gz SVAVIQYYUUATOL-SUZMYJTESA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573485420 946228026 /nfs/dbraw/zinc/22/80/26/946228026.db2.gz SVAVIQYYUUATOL-SUZMYJTESA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573485421 946227898 /nfs/dbraw/zinc/22/78/98/946227898.db2.gz SVAVIQYYUUATOL-XHVZSJERSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573485421 946227885 /nfs/dbraw/zinc/22/78/85/946227885.db2.gz SVAVIQYYUUATOL-XHVZSJERSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573485422 946226103 /nfs/dbraw/zinc/22/61/03/946226103.db2.gz TUBJEFQMXLUCHW-AMFBXLIHSA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001573485422 946226088 /nfs/dbraw/zinc/22/60/88/946226088.db2.gz TUBJEFQMXLUCHW-AMFBXLIHSA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573485423 946227661 /nfs/dbraw/zinc/22/76/61/946227661.db2.gz TUBJEFQMXLUCHW-DFKRKDTASA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001573485423 946227650 /nfs/dbraw/zinc/22/76/50/946227650.db2.gz TUBJEFQMXLUCHW-DFKRKDTASA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573485424 946227831 /nfs/dbraw/zinc/22/78/31/946227831.db2.gz TUBJEFQMXLUCHW-TZTCFGBESA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001573485424 946227821 /nfs/dbraw/zinc/22/78/21/946227821.db2.gz TUBJEFQMXLUCHW-TZTCFGBESA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573485425 946226386 /nfs/dbraw/zinc/22/63/86/946226386.db2.gz TUBJEFQMXLUCHW-ZWZTZDBGSA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001573485425 946226372 /nfs/dbraw/zinc/22/63/72/946226372.db2.gz TUBJEFQMXLUCHW-ZWZTZDBGSA-N -1 3 391.407 -0.808 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573485501 946226929 /nfs/dbraw/zinc/22/69/29/946226929.db2.gz UMDFTUHNGFRJAN-MBGOOHRESA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573485501 946226916 /nfs/dbraw/zinc/22/69/16/946226916.db2.gz UMDFTUHNGFRJAN-MBGOOHRESA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573485502 946228288 /nfs/dbraw/zinc/22/82/88/946228288.db2.gz UMDFTUHNGFRJAN-PBFTVQBMSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573485502 946228276 /nfs/dbraw/zinc/22/82/76/946228276.db2.gz UMDFTUHNGFRJAN-PBFTVQBMSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573485515 946228110 /nfs/dbraw/zinc/22/81/10/946228110.db2.gz UPBNJRZTYPLBNT-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)NCC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573485515 946228098 /nfs/dbraw/zinc/22/80/98/946228098.db2.gz UPBNJRZTYPLBNT-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 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CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573487838 946258789 /nfs/dbraw/zinc/25/87/89/946258789.db2.gz UMDFTUHNGFRJAN-XFOOOJQKSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573487838 946258781 /nfs/dbraw/zinc/25/87/81/946258781.db2.gz UMDFTUHNGFRJAN-XFOOOJQKSA-N -1 3 386.416 -0.419 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]21 ZINC001573487977 946262560 /nfs/dbraw/zinc/26/25/60/946262560.db2.gz WDWILYBMSXHASR-UVRHIYEWSA-N -1 3 390.835 -0.010 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]21 ZINC001573487977 946262550 /nfs/dbraw/zinc/26/25/50/946262550.db2.gz WDWILYBMSXHASR-UVRHIYEWSA-N -1 3 390.835 -0.010 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]21 ZINC001573487984 946261979 /nfs/dbraw/zinc/26/19/79/946261979.db2.gz WDWILYBMSXHASR-XDRUHAPNSA-N -1 3 390.835 -0.010 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]21 ZINC001573487984 946261971 /nfs/dbraw/zinc/26/19/71/946261971.db2.gz WDWILYBMSXHASR-XDRUHAPNSA-N -1 3 390.835 -0.010 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573488114 946264458 /nfs/dbraw/zinc/26/44/58/946264458.db2.gz YDUZFDZROKKNHN-CMPLNLGQSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C)C(=O)N[C@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573488114 946264447 /nfs/dbraw/zinc/26/44/47/946264447.db2.gz YDUZFDZROKKNHN-CMPLNLGQSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573488115 946265073 /nfs/dbraw/zinc/26/50/73/946265073.db2.gz YDUZFDZROKKNHN-ZYHUDNBSSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C)C(=O)N[C@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573488115 946265061 /nfs/dbraw/zinc/26/50/61/946265061.db2.gz YDUZFDZROKKNHN-ZYHUDNBSSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NC1(C(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCC1 ZINC001573488528 946266564 /nfs/dbraw/zinc/26/65/64/946266564.db2.gz BBSAXSYWZULTBF-UHFFFAOYSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)NC1(C(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCC1 ZINC001573488528 946266553 /nfs/dbraw/zinc/26/65/53/946266553.db2.gz BBSAXSYWZULTBF-UHFFFAOYSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573488529 946267955 /nfs/dbraw/zinc/26/79/55/946267955.db2.gz BIAMLQAXMDLMKI-CYBMUJFWSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573488529 946267949 /nfs/dbraw/zinc/26/79/49/946267949.db2.gz BIAMLQAXMDLMKI-CYBMUJFWSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573488530 946266069 /nfs/dbraw/zinc/26/60/69/946266069.db2.gz BIAMLQAXMDLMKI-ZDUSSCGKSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573488530 946266061 /nfs/dbraw/zinc/26/60/61/946266061.db2.gz BIAMLQAXMDLMKI-ZDUSSCGKSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)N(C)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573488573 946268489 /nfs/dbraw/zinc/26/84/89/946268489.db2.gz DJLOAPWMODEEIK-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NC1(C(=O)N(C)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573488573 946268479 /nfs/dbraw/zinc/26/84/79/946268479.db2.gz DJLOAPWMODEEIK-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NC1(C(=O)NCCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573488577 946269094 /nfs/dbraw/zinc/26/90/94/946269094.db2.gz DMKJHJBTQNDAFB-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NC1(C(=O)NCCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001573488577 946269082 /nfs/dbraw/zinc/26/90/82/946269082.db2.gz DMKJHJBTQNDAFB-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NC1(C(=O)N[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573488583 946270285 /nfs/dbraw/zinc/27/02/85/946270285.db2.gz DYPDQDJYMFPKCW-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)N[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001573488583 946270276 /nfs/dbraw/zinc/27/02/76/946270276.db2.gz DYPDQDJYMFPKCW-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)N[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573488584 946269941 /nfs/dbraw/zinc/26/99/41/946269941.db2.gz DYPDQDJYMFPKCW-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)N[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001573488584 946269931 /nfs/dbraw/zinc/26/99/31/946269931.db2.gz DYPDQDJYMFPKCW-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](CO)Nc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573488610 946268549 /nfs/dbraw/zinc/26/85/49/946268549.db2.gz FTDBURMLEBZYPC-GFCCVEGCSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](CO)Nc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573488610 946268539 /nfs/dbraw/zinc/26/85/39/946268539.db2.gz FTDBURMLEBZYPC-GFCCVEGCSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573488611 946270475 /nfs/dbraw/zinc/27/04/75/946270475.db2.gz FTDBURMLEBZYPC-LBPRGKRZSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](CO)Nc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573488611 946270465 /nfs/dbraw/zinc/27/04/65/946270465.db2.gz FTDBURMLEBZYPC-LBPRGKRZSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488648 946273164 /nfs/dbraw/zinc/27/31/64/946273164.db2.gz HEJHVDNIUCTBTB-CYBMUJFWSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488648 946273152 /nfs/dbraw/zinc/27/31/52/946273152.db2.gz HEJHVDNIUCTBTB-CYBMUJFWSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488649 946273471 /nfs/dbraw/zinc/27/34/71/946273471.db2.gz HEJHVDNIUCTBTB-ZDUSSCGKSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488649 946273459 /nfs/dbraw/zinc/27/34/59/946273459.db2.gz HEJHVDNIUCTBTB-ZDUSSCGKSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCC1 ZINC001573488650 946272460 /nfs/dbraw/zinc/27/24/60/946272460.db2.gz HELROWHUHNBKGX-UHFFFAOYSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)NC1(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCC1 ZINC001573488650 946272454 /nfs/dbraw/zinc/27/24/54/946272454.db2.gz HELROWHUHNBKGX-UHFFFAOYSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)NC1(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCC1 ZINC001573488665 946272936 /nfs/dbraw/zinc/27/29/36/946272936.db2.gz HYLQQSDVGOFSDJ-UHFFFAOYSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)NC1(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCC1 ZINC001573488665 946272928 /nfs/dbraw/zinc/27/29/28/946272928.db2.gz HYLQQSDVGOFSDJ-UHFFFAOYSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573488736 946275066 /nfs/dbraw/zinc/27/50/66/946275066.db2.gz KXGQGAHTVDJJPD-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001573488736 946275054 /nfs/dbraw/zinc/27/50/54/946275054.db2.gz KXGQGAHTVDJJPD-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](C)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573488737 946275214 /nfs/dbraw/zinc/27/52/14/946275214.db2.gz KXGQGAHTVDJJPD-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](C)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001573488737 946275207 /nfs/dbraw/zinc/27/52/07/946275207.db2.gz KXGQGAHTVDJJPD-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)N[C@@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573488757 946275475 /nfs/dbraw/zinc/27/54/75/946275475.db2.gz LIMVQBSNUDIXTE-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)N[C@@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573488757 946275466 /nfs/dbraw/zinc/27/54/66/946275466.db2.gz LIMVQBSNUDIXTE-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)N[C@H](C)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573488758 946274613 /nfs/dbraw/zinc/27/46/13/946274613.db2.gz LIMVQBSNUDIXTE-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)N[C@H](C)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573488758 946274603 /nfs/dbraw/zinc/27/46/03/946274603.db2.gz LIMVQBSNUDIXTE-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573488783 946277500 /nfs/dbraw/zinc/27/75/00/946277500.db2.gz LZUXWQZDWTVFQB-CYBMUJFWSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573488783 946277489 /nfs/dbraw/zinc/27/74/89/946277489.db2.gz LZUXWQZDWTVFQB-CYBMUJFWSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001573488784 946278662 /nfs/dbraw/zinc/27/86/62/946278662.db2.gz LZUXWQZDWTVFQB-ZDUSSCGKSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001573488784 946278653 /nfs/dbraw/zinc/27/86/53/946278653.db2.gz LZUXWQZDWTVFQB-ZDUSSCGKSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NCCN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573488785 946278375 /nfs/dbraw/zinc/27/83/75/946278375.db2.gz MCPXLWCEVQJTIK-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NC1(C(=O)NCCN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001573488785 946278365 /nfs/dbraw/zinc/27/83/65/946278365.db2.gz MCPXLWCEVQJTIK-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488789 946277968 /nfs/dbraw/zinc/27/79/68/946277968.db2.gz MFNNSDBUIDWCTJ-CYBMUJFWSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488789 946277954 /nfs/dbraw/zinc/27/79/54/946277954.db2.gz MFNNSDBUIDWCTJ-CYBMUJFWSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001573488790 946278114 /nfs/dbraw/zinc/27/81/14/946278114.db2.gz MFNNSDBUIDWCTJ-ZDUSSCGKSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001573488790 946278102 /nfs/dbraw/zinc/27/81/02/946278102.db2.gz MFNNSDBUIDWCTJ-ZDUSSCGKSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)N(C)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573488805 946277527 /nfs/dbraw/zinc/27/75/27/946277527.db2.gz MPQSXHMTQOMRAQ-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NC1(C(=O)N(C)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001573488805 946277518 /nfs/dbraw/zinc/27/75/18/946277518.db2.gz MPQSXHMTQOMRAQ-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573488816 946276429 /nfs/dbraw/zinc/27/64/29/946276429.db2.gz MVUCRGIYRXIIAJ-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001573488816 946276422 /nfs/dbraw/zinc/27/64/22/946276422.db2.gz MVUCRGIYRXIIAJ-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573488817 946277558 /nfs/dbraw/zinc/27/75/58/946277558.db2.gz MVUCRGIYRXIIAJ-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001573488817 946277547 /nfs/dbraw/zinc/27/75/47/946277547.db2.gz MVUCRGIYRXIIAJ-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](O)CNc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573488912 946279586 /nfs/dbraw/zinc/27/95/86/946279586.db2.gz POHJYXOHFQHEOU-GFCCVEGCSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](O)CNc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573488912 946279580 /nfs/dbraw/zinc/27/95/80/946279580.db2.gz POHJYXOHFQHEOU-GFCCVEGCSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](O)CNc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573488913 946281117 /nfs/dbraw/zinc/28/11/17/946281117.db2.gz POHJYXOHFQHEOU-LBPRGKRZSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](O)CNc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573488913 946281107 /nfs/dbraw/zinc/28/11/07/946281107.db2.gz POHJYXOHFQHEOU-LBPRGKRZSA-N -1 3 388.432 -0.400 20 0 GBADHM CC(=O)NC1(C(=O)N(C)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1 ZINC001573488916 946280910 /nfs/dbraw/zinc/28/09/10/946280910.db2.gz PVKOWAGWIPFDCB-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NC1(C(=O)N(C)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1 ZINC001573488916 946280900 /nfs/dbraw/zinc/28/09/00/946280900.db2.gz PVKOWAGWIPFDCB-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NC1(C(=O)NCCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573488971 946281655 /nfs/dbraw/zinc/28/16/55/946281655.db2.gz RTSOPKAQFXYNCA-UHFFFAOYSA-N -1 3 388.432 -0.120 20 0 GBADHM CC(=O)NC1(C(=O)NCCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573488971 946281644 /nfs/dbraw/zinc/28/16/44/946281644.db2.gz RTSOPKAQFXYNCA-UHFFFAOYSA-N -1 3 388.432 -0.120 20 0 GBADHM CC(=O)NC1(C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCCC1 ZINC001573488984 946282597 /nfs/dbraw/zinc/28/25/97/946282597.db2.gz SFIQHOOJCAVZCO-UHFFFAOYSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)NC1(C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCCC1 ZINC001573488984 946282593 /nfs/dbraw/zinc/28/25/93/946282593.db2.gz SFIQHOOJCAVZCO-UHFFFAOYSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)NC1(C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573489029 946286237 /nfs/dbraw/zinc/28/62/37/946286237.db2.gz UYHVWNFHPDRNRE-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001573489029 946286224 /nfs/dbraw/zinc/28/62/24/946286224.db2.gz UYHVWNFHPDRNRE-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573489030 946285766 /nfs/dbraw/zinc/28/57/66/946285766.db2.gz UYHVWNFHPDRNRE-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001573489030 946285756 /nfs/dbraw/zinc/28/57/56/946285756.db2.gz UYHVWNFHPDRNRE-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573489073 946285409 /nfs/dbraw/zinc/28/54/09/946285409.db2.gz WQPUEFLVOOIJFT-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573489073 946285396 /nfs/dbraw/zinc/28/53/96/946285396.db2.gz WQPUEFLVOOIJFT-JTQLQIEISA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](C)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573489074 946285811 /nfs/dbraw/zinc/28/58/11/946285811.db2.gz WQPUEFLVOOIJFT-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NC[C@@H](C)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573489074 946285801 /nfs/dbraw/zinc/28/58/01/946285801.db2.gz WQPUEFLVOOIJFT-SNVBAGLBSA-N -1 3 388.432 -0.122 20 0 GBADHM CC(=O)NC1(C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1 ZINC001573489158 946288180 /nfs/dbraw/zinc/28/81/80/946288180.db2.gz ZNNNXFAQMUDMQT-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NC1(C(=O)NCCN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1 ZINC001573489158 946288170 /nfs/dbraw/zinc/28/81/70/946288170.db2.gz ZNNNXFAQMUDMQT-UHFFFAOYSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)N(C)C1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573497181 946343757 /nfs/dbraw/zinc/34/37/57/946343757.db2.gz MPSQMEVBVDYZOA-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N(C)C1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573497181 946343745 /nfs/dbraw/zinc/34/37/45/946343745.db2.gz MPSQMEVBVDYZOA-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC001573497339 946348222 /nfs/dbraw/zinc/34/82/22/946348222.db2.gz QKEMXMSEHUYMJS-GFCCVEGCSA-N -1 3 381.400 -0.015 20 0 GBADHM CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC001573497339 946348217 /nfs/dbraw/zinc/34/82/17/946348217.db2.gz QKEMXMSEHUYMJS-GFCCVEGCSA-N -1 3 381.400 -0.015 20 0 GBADHM CC(=O)N[C@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)C1 ZINC001573497342 946348089 /nfs/dbraw/zinc/34/80/89/946348089.db2.gz QKEMXMSEHUYMJS-LBPRGKRZSA-N -1 3 381.400 -0.015 20 0 GBADHM CC(=O)N[C@H]1CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)C1 ZINC001573497342 946348078 /nfs/dbraw/zinc/34/80/78/946348078.db2.gz QKEMXMSEHUYMJS-LBPRGKRZSA-N -1 3 381.400 -0.015 20 0 GBADHM CC(=O)NCC(=O)N(C)C1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573498227 946360768 /nfs/dbraw/zinc/36/07/68/946360768.db2.gz YDTSUAWINSDFKI-UHFFFAOYSA-N -1 3 376.396 -0.036 20 0 GBADHM CC(=O)NCC(=O)N(C)C1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573498227 946360753 /nfs/dbraw/zinc/36/07/53/946360753.db2.gz YDTSUAWINSDFKI-UHFFFAOYSA-N -1 3 376.396 -0.036 20 0 GBADHM CC(=O)NCC(=O)N(C)C1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573498457 946360302 /nfs/dbraw/zinc/36/03/02/946360302.db2.gz ZHMDGYYSKYXVDP-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N(C)C1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573498457 946360289 /nfs/dbraw/zinc/36/02/89/946360289.db2.gz ZHMDGYYSKYXVDP-UHFFFAOYSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N(C)CC(C)(C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573498931 946364636 /nfs/dbraw/zinc/36/46/36/946364636.db2.gz AWLGXUFXAKHAPE-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(=O)N(C)CC(C)(C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573498931 946364627 /nfs/dbraw/zinc/36/46/27/946364627.db2.gz AWLGXUFXAKHAPE-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(=O)N(C)CC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573498938 946362640 /nfs/dbraw/zinc/36/26/40/946362640.db2.gz BCFBIWGKIYXJIG-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)NCC(=O)N(C)CC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573498938 946362624 /nfs/dbraw/zinc/36/26/24/946362624.db2.gz BCFBIWGKIYXJIG-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573499446 946367867 /nfs/dbraw/zinc/36/78/67/946367867.db2.gz DBHJHSBWDSGREN-LLVKDONJSA-N -1 3 379.396 -0.603 20 0 GBADHM CC(=O)NCC(=O)N(C)C[C@H](O)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573499446 946367853 /nfs/dbraw/zinc/36/78/53/946367853.db2.gz DBHJHSBWDSGREN-LLVKDONJSA-N -1 3 379.396 -0.603 20 0 GBADHM CC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573499447 946366424 /nfs/dbraw/zinc/36/64/24/946366424.db2.gz DBHJHSBWDSGREN-NSHDSACASA-N -1 3 379.396 -0.603 20 0 GBADHM CC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573499447 946366411 /nfs/dbraw/zinc/36/64/11/946366411.db2.gz DBHJHSBWDSGREN-NSHDSACASA-N -1 3 379.396 -0.603 20 0 GBADHM CC(=O)NCC(=O)N1CC2(C1)CCCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573499474 946365385 /nfs/dbraw/zinc/36/53/85/946365385.db2.gz DKQKKPJWIUJZTI-UHFFFAOYSA-N -1 3 386.416 -0.605 20 0 GBADHM CC(=O)NCC(=O)N1CC2(C1)CCCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573499474 946365375 /nfs/dbraw/zinc/36/53/75/946365375.db2.gz DKQKKPJWIUJZTI-UHFFFAOYSA-N -1 3 386.416 -0.605 20 0 GBADHM CC(=O)NCC(=O)N(C)CCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573499480 946367895 /nfs/dbraw/zinc/36/78/95/946367895.db2.gz DMKDPLZXNZTJFC-UHFFFAOYSA-N -1 3 376.421 -0.360 20 0 GBADHM CC(=O)NCC(=O)N(C)CCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573499480 946367887 /nfs/dbraw/zinc/36/78/87/946367887.db2.gz DMKDPLZXNZTJFC-UHFFFAOYSA-N -1 3 376.421 -0.360 20 0 GBADHM CC(=O)NCC(=O)N(C)CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573499503 946368757 /nfs/dbraw/zinc/36/87/57/946368757.db2.gz DVZOTDFXWXZPQZ-GFCCVEGCSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(=O)N(C)CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573499503 946368748 /nfs/dbraw/zinc/36/87/48/946368748.db2.gz DVZOTDFXWXZPQZ-GFCCVEGCSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(=O)N(C)CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573499505 946370028 /nfs/dbraw/zinc/37/00/28/946370028.db2.gz DVZOTDFXWXZPQZ-LBPRGKRZSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(=O)N(C)CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573499505 946370015 /nfs/dbraw/zinc/37/00/15/946370015.db2.gz DVZOTDFXWXZPQZ-LBPRGKRZSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573499558 946369700 /nfs/dbraw/zinc/36/97/00/946369700.db2.gz FITHYRNTUCRWSN-JTQLQIEISA-N -1 3 382.812 -0.718 20 0 GBADHM CC(=O)NCC(=O)N(C)C[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573499558 946369688 /nfs/dbraw/zinc/36/96/88/946369688.db2.gz FITHYRNTUCRWSN-JTQLQIEISA-N -1 3 382.812 -0.718 20 0 GBADHM CC(=O)NCC(=O)N(C)C[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573499560 946369670 /nfs/dbraw/zinc/36/96/70/946369670.db2.gz FITHYRNTUCRWSN-SNVBAGLBSA-N -1 3 382.812 -0.718 20 0 GBADHM CC(=O)NCC(=O)N(C)C[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573499560 946369663 /nfs/dbraw/zinc/36/96/63/946369663.db2.gz FITHYRNTUCRWSN-SNVBAGLBSA-N -1 3 382.812 -0.718 20 0 GBADHM CC(=O)NCC(=O)N(CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573499966 946372552 /nfs/dbraw/zinc/37/25/52/946372552.db2.gz HOBLLKCRMPPPHE-UHFFFAOYSA-N -1 3 376.421 -0.360 20 0 GBADHM CC(=O)NCC(=O)N(CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573499966 946372542 /nfs/dbraw/zinc/37/25/42/946372542.db2.gz HOBLLKCRMPPPHE-UHFFFAOYSA-N -1 3 376.421 -0.360 20 0 GBADHM CC(=O)NCC(=O)N(C)CC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573500331 946372424 /nfs/dbraw/zinc/37/24/24/946372424.db2.gz ICJUHQJQRVBHTR-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(=O)N(C)CC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573500331 946372421 /nfs/dbraw/zinc/37/24/21/946372421.db2.gz ICJUHQJQRVBHTR-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(=O)N(C)CC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573500333 946370960 /nfs/dbraw/zinc/37/09/60/946370960.db2.gz ICJUHQJQRVBHTR-ZDUSSCGKSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(=O)N(C)CC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573500333 946370952 /nfs/dbraw/zinc/37/09/52/946370952.db2.gz ICJUHQJQRVBHTR-ZDUSSCGKSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(=O)N(C)CC(C)(C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573500368 946370933 /nfs/dbraw/zinc/37/09/33/946370933.db2.gz IISLFEBNDPYPOJ-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(=O)N(C)CC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573500368 946370921 /nfs/dbraw/zinc/37/09/21/946370921.db2.gz IISLFEBNDPYPOJ-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(=O)N(C)CC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573500402 946375588 /nfs/dbraw/zinc/37/55/88/946375588.db2.gz JCVAGBFLHODUBW-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)NCC(=O)N(C)CC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573500402 946375581 /nfs/dbraw/zinc/37/55/81/946375581.db2.gz JCVAGBFLHODUBW-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)NCC(=O)N(CCO)CCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573500409 946375133 /nfs/dbraw/zinc/37/51/33/946375133.db2.gz JHDYIOXSLQKYPS-UHFFFAOYSA-N -1 3 382.812 -0.716 20 0 GBADHM CC(=O)NCC(=O)N(CCO)CCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573500409 946375123 /nfs/dbraw/zinc/37/51/23/946375123.db2.gz JHDYIOXSLQKYPS-UHFFFAOYSA-N -1 3 382.812 -0.716 20 0 GBADHM CC(=O)NCC(=O)N1CC2(C1)CCCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573500482 946374259 /nfs/dbraw/zinc/37/42/59/946374259.db2.gz KNMKZQHIYQHQLL-UHFFFAOYSA-N -1 3 386.416 -0.605 20 0 GBADHM CC(=O)NCC(=O)N1CC2(C1)CCCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573500482 946374247 /nfs/dbraw/zinc/37/42/47/946374247.db2.gz KNMKZQHIYQHQLL-UHFFFAOYSA-N -1 3 386.416 -0.605 20 0 GBADHM CC(=O)NCC(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC001573500913 946378361 /nfs/dbraw/zinc/37/83/61/946378361.db2.gz LIUAAFZSEMLCJX-UHFFFAOYSA-N -1 3 386.416 -0.605 20 0 GBADHM CC(=O)NCC(=O)N1CC2(C1)CCN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC001573500913 946378350 /nfs/dbraw/zinc/37/83/50/946378350.db2.gz 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CC(=O)NCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573504694 946412933 /nfs/dbraw/zinc/41/29/33/946412933.db2.gz IMWXBPHUSDANAJ-IINYFYTJSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573504696 946412094 /nfs/dbraw/zinc/41/20/94/946412094.db2.gz IMWXBPHUSDANAJ-QMTHXVAHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573504696 946412089 /nfs/dbraw/zinc/41/20/89/946412089.db2.gz IMWXBPHUSDANAJ-QMTHXVAHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573504698 946412428 /nfs/dbraw/zinc/41/24/28/946412428.db2.gz IMWXBPHUSDANAJ-YGRLFVJLSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573504698 946412422 /nfs/dbraw/zinc/41/24/22/946412422.db2.gz IMWXBPHUSDANAJ-YGRLFVJLSA-N -1 3 388.432 -0.170 20 0 GBADHM 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CC(=O)NCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573510067 946470758 /nfs/dbraw/zinc/47/07/58/946470758.db2.gz XQLIGDVOZSZSHL-ZYHUDNBSSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)N1CCCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573510075 946471268 /nfs/dbraw/zinc/47/12/68/946471268.db2.gz YCWNEMVDNYRIQV-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)N1CCCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573510075 946471260 /nfs/dbraw/zinc/47/12/60/946471260.db2.gz YCWNEMVDNYRIQV-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)N1CCCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573510076 946471735 /nfs/dbraw/zinc/47/17/35/946471735.db2.gz YCWNEMVDNYRIQV-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)N1CCCCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573510076 946471726 /nfs/dbraw/zinc/47/17/26/946471726.db2.gz YCWNEMVDNYRIQV-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573510106 946472328 /nfs/dbraw/zinc/47/23/28/946472328.db2.gz ZNJUJWCPLRRYSY-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573510106 946472324 /nfs/dbraw/zinc/47/23/24/946472324.db2.gz ZNJUJWCPLRRYSY-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573510135 946470963 /nfs/dbraw/zinc/47/09/63/946470963.db2.gz ABRPRWFOOCAVTM-HZMBPMFUSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573510135 946470956 /nfs/dbraw/zinc/47/09/56/946470956.db2.gz ABRPRWFOOCAVTM-HZMBPMFUSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573510138 946472150 /nfs/dbraw/zinc/47/21/50/946472150.db2.gz ABRPRWFOOCAVTM-IINYFYTJSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573510138 946472144 /nfs/dbraw/zinc/47/21/44/946472144.db2.gz ABRPRWFOOCAVTM-IINYFYTJSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573510139 946471424 /nfs/dbraw/zinc/47/14/24/946471424.db2.gz ABRPRWFOOCAVTM-QMTHXVAHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573510139 946471413 /nfs/dbraw/zinc/47/14/13/946471413.db2.gz ABRPRWFOOCAVTM-QMTHXVAHSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573510143 946470591 /nfs/dbraw/zinc/47/05/91/946470591.db2.gz ABRPRWFOOCAVTM-YGRLFVJLSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573510143 946470586 /nfs/dbraw/zinc/47/05/86/946470586.db2.gz ABRPRWFOOCAVTM-YGRLFVJLSA-N -1 3 388.432 -0.170 20 0 GBADHM 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CC(=O)NCC(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573510186 946470811 /nfs/dbraw/zinc/47/08/11/946470811.db2.gz BARITUPMLYALGD-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573510186 946470804 /nfs/dbraw/zinc/47/08/04/946470804.db2.gz BARITUPMLYALGD-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573510187 946474045 /nfs/dbraw/zinc/47/40/45/946474045.db2.gz BARITUPMLYALGD-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573510187 946474035 /nfs/dbraw/zinc/47/40/35/946474035.db2.gz BARITUPMLYALGD-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N1C[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]2C1 ZINC001573510213 946473440 /nfs/dbraw/zinc/47/34/40/946473440.db2.gz BSZBKNLPSPJMGY-YPMHNXCESA-N -1 3 386.416 -0.749 20 0 GBADHM 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CC(=O)NCC(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CC(C)C ZINC001573510382 946477139 /nfs/dbraw/zinc/47/71/39/946477139.db2.gz GHLJDCJNLYFHAS-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CC(C)C ZINC001573510383 946477810 /nfs/dbraw/zinc/47/78/10/946477810.db2.gz GHLJDCJNLYFHAS-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CC(C)C ZINC001573510383 946477803 /nfs/dbraw/zinc/47/78/03/946477803.db2.gz GHLJDCJNLYFHAS-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573510436 946477486 /nfs/dbraw/zinc/47/74/86/946477486.db2.gz HNQOENGYFHWKEA-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573510436 946477477 /nfs/dbraw/zinc/47/74/77/946477477.db2.gz HNQOENGYFHWKEA-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CC(C)C ZINC001573510438 946477594 /nfs/dbraw/zinc/47/75/94/946477594.db2.gz HNQOENGYFHWKEA-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CC(C)C ZINC001573510438 946477589 /nfs/dbraw/zinc/47/75/89/946477589.db2.gz HNQOENGYFHWKEA-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573510489 946479478 /nfs/dbraw/zinc/47/94/78/946479478.db2.gz IRXGVNQPIRDLRD-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573510489 946479473 /nfs/dbraw/zinc/47/94/73/946479473.db2.gz IRXGVNQPIRDLRD-CMPLNLGQSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573510490 946480355 /nfs/dbraw/zinc/48/03/55/946480355.db2.gz IRXGVNQPIRDLRD-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573510490 946480352 /nfs/dbraw/zinc/48/03/52/946480352.db2.gz IRXGVNQPIRDLRD-JQWIXIFHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573510491 946480215 /nfs/dbraw/zinc/48/02/15/946480215.db2.gz IRXGVNQPIRDLRD-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573510491 946480210 /nfs/dbraw/zinc/48/02/10/946480210.db2.gz IRXGVNQPIRDLRD-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573510493 946479539 /nfs/dbraw/zinc/47/95/39/946479539.db2.gz IRXGVNQPIRDLRD-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573510493 946479531 /nfs/dbraw/zinc/47/95/31/946479531.db2.gz IRXGVNQPIRDLRD-ZYHUDNBSSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N1C[C@H]2CCN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]2C1 ZINC001573510522 946480137 /nfs/dbraw/zinc/48/01/37/946480137.db2.gz JBINPKGMOCBLSQ-KGLIPLIRSA-N -1 3 384.444 -0.009 20 0 GBADHM CC(=O)NCC(=O)N1C[C@H]2CCN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]2C1 ZINC001573510522 946480134 /nfs/dbraw/zinc/48/01/34/946480134.db2.gz JBINPKGMOCBLSQ-KGLIPLIRSA-N -1 3 384.444 -0.009 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)C ZINC001573510679 946479009 /nfs/dbraw/zinc/47/90/09/946479009.db2.gz JJEFADJECFJGQA-LLVKDONJSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)C ZINC001573510679 946479002 /nfs/dbraw/zinc/47/90/02/946479002.db2.gz JJEFADJECFJGQA-LLVKDONJSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CC(C)C ZINC001573510681 946480313 /nfs/dbraw/zinc/48/03/13/946480313.db2.gz JJEFADJECFJGQA-NSHDSACASA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CC(C)C ZINC001573510681 946480308 /nfs/dbraw/zinc/48/03/08/946480308.db2.gz JJEFADJECFJGQA-NSHDSACASA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573510683 946479916 /nfs/dbraw/zinc/47/99/16/946479916.db2.gz JKQSMLQRXGJTCS-SJCJKPOMSA-N -1 3 386.416 -0.558 20 0 GBADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573510683 946479911 /nfs/dbraw/zinc/47/99/11/946479911.db2.gz JKQSMLQRXGJTCS-SJCJKPOMSA-N -1 3 386.416 -0.558 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573510710 946479780 /nfs/dbraw/zinc/47/97/80/946479780.db2.gz JWFLENYBLQZSTD-GFCCVEGCSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573510710 946479775 /nfs/dbraw/zinc/47/97/75/946479775.db2.gz JWFLENYBLQZSTD-GFCCVEGCSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573510711 946478885 /nfs/dbraw/zinc/47/88/85/946478885.db2.gz JWFLENYBLQZSTD-LBPRGKRZSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573510711 946478879 /nfs/dbraw/zinc/47/88/79/946478879.db2.gz JWFLENYBLQZSTD-LBPRGKRZSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573510732 946479964 /nfs/dbraw/zinc/47/99/64/946479964.db2.gz KFSAWRPBXVTTOV-AWEZNQCLSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573510732 946479959 /nfs/dbraw/zinc/47/99/59/946479959.db2.gz KFSAWRPBXVTTOV-AWEZNQCLSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573510734 946480009 /nfs/dbraw/zinc/48/00/09/946480009.db2.gz KFSAWRPBXVTTOV-CQSZACIVSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573510734 946480005 /nfs/dbraw/zinc/48/00/05/946480005.db2.gz KFSAWRPBXVTTOV-CQSZACIVSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N1C[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573510786 946482157 /nfs/dbraw/zinc/48/21/57/946482157.db2.gz KYDMLQOBIUDGCB-SMDDNHRTSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)NCC(=O)N1C[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573510786 946482151 /nfs/dbraw/zinc/48/21/51/946482151.db2.gz KYDMLQOBIUDGCB-SMDDNHRTSA-N -1 3 386.416 -0.606 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573510823 946480929 /nfs/dbraw/zinc/48/09/29/946480929.db2.gz LGHRVFLBSJEYDV-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573510823 946480922 /nfs/dbraw/zinc/48/09/22/946480922.db2.gz LGHRVFLBSJEYDV-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573510825 946480777 /nfs/dbraw/zinc/48/07/77/946480777.db2.gz LGHRVFLBSJEYDV-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573510825 946480772 /nfs/dbraw/zinc/48/07/72/946480772.db2.gz LGHRVFLBSJEYDV-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@]2(C)C1 ZINC001573511084 946484003 /nfs/dbraw/zinc/48/40/03/946484003.db2.gz MTDMSVCJVBVJMU-PXAZEXFGSA-N -1 3 386.416 -0.749 20 0 GBADHM CC(=O)NCC(=O)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@]2(C)C1 ZINC001573511084 946483994 /nfs/dbraw/zinc/48/39/94/946483994.db2.gz MTDMSVCJVBVJMU-PXAZEXFGSA-N -1 3 386.416 -0.749 20 0 GBADHM CC(=O)NCC(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@]2(C)C1 ZINC001573511087 946482605 /nfs/dbraw/zinc/48/26/05/946482605.db2.gz MTDMSVCJVBVJMU-YVEFUNNKSA-N -1 3 386.416 -0.749 20 0 GBADHM CC(=O)NCC(=O)N1C[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@]2(C)C1 ZINC001573511087 946482598 /nfs/dbraw/zinc/48/25/98/946482598.db2.gz MTDMSVCJVBVJMU-YVEFUNNKSA-N -1 3 386.416 -0.749 20 0 GBADHM CC(=O)NCC(=O)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@]2(C)C1 ZINC001573511104 946482809 /nfs/dbraw/zinc/48/28/09/946482809.db2.gz MYUNLYMOGWWHRC-YVEFUNNKSA-N -1 3 388.407 -0.178 20 0 GBADHM CC(=O)NCC(=O)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@]2(C)C1 ZINC001573511104 946482806 /nfs/dbraw/zinc/48/28/06/946482806.db2.gz MYUNLYMOGWWHRC-YVEFUNNKSA-N -1 3 388.407 -0.178 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573511123 946482618 /nfs/dbraw/zinc/48/26/18/946482618.db2.gz NCHXMWSVMYVHHM-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573511123 946482613 /nfs/dbraw/zinc/48/26/13/946482613.db2.gz NCHXMWSVMYVHHM-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573511125 946482876 /nfs/dbraw/zinc/48/28/76/946482876.db2.gz NCHXMWSVMYVHHM-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573511125 946482873 /nfs/dbraw/zinc/48/28/73/946482873.db2.gz NCHXMWSVMYVHHM-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573511369 946484882 /nfs/dbraw/zinc/48/48/82/946484882.db2.gz OWXPRXIPWMGAGS-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573511369 946484876 /nfs/dbraw/zinc/48/48/76/946484876.db2.gz OWXPRXIPWMGAGS-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573511371 946485287 /nfs/dbraw/zinc/48/52/87/946485287.db2.gz OWXPRXIPWMGAGS-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573511371 946485283 /nfs/dbraw/zinc/48/52/83/946485283.db2.gz OWXPRXIPWMGAGS-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573511460 946485274 /nfs/dbraw/zinc/48/52/74/946485274.db2.gz QYLUZPMIKMVNIW-SJCJKPOMSA-N -1 3 386.416 -0.558 20 0 GBADHM CC(=O)NCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573511460 946485270 /nfs/dbraw/zinc/48/52/70/946485270.db2.gz QYLUZPMIKMVNIW-SJCJKPOMSA-N -1 3 386.416 -0.558 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573511468 946487683 /nfs/dbraw/zinc/48/76/83/946487683.db2.gz AATDFWQPGJRATP-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCCCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573511468 946487675 /nfs/dbraw/zinc/48/76/75/946487675.db2.gz AATDFWQPGJRATP-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCCCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573511469 946487001 /nfs/dbraw/zinc/48/70/01/946487001.db2.gz AATDFWQPGJRATP-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCCCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573511469 946486996 /nfs/dbraw/zinc/48/69/96/946486996.db2.gz AATDFWQPGJRATP-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573511523 946487538 /nfs/dbraw/zinc/48/75/38/946487538.db2.gz BCDMTFCLSSIHOZ-NEPJUHHUSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573511523 946487530 /nfs/dbraw/zinc/48/75/30/946487530.db2.gz BCDMTFCLSSIHOZ-NEPJUHHUSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573511524 946486465 /nfs/dbraw/zinc/48/64/65/946486465.db2.gz BCDMTFCLSSIHOZ-NWDGAFQWSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573511524 946486456 /nfs/dbraw/zinc/48/64/56/946486456.db2.gz BCDMTFCLSSIHOZ-NWDGAFQWSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573511526 946486662 /nfs/dbraw/zinc/48/66/62/946486662.db2.gz BCDMTFCLSSIHOZ-RYUDHWBXSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573511526 946486655 /nfs/dbraw/zinc/48/66/55/946486655.db2.gz BCDMTFCLSSIHOZ-RYUDHWBXSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573511529 946486796 /nfs/dbraw/zinc/48/67/96/946486796.db2.gz BCDMTFCLSSIHOZ-VXGBXAGGSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573511529 946486791 /nfs/dbraw/zinc/48/67/91/946486791.db2.gz BCDMTFCLSSIHOZ-VXGBXAGGSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC1(CNc2nc(C)ccc2-c2nn[n-]n2)CCOCC1 ZINC001573511535 946486862 /nfs/dbraw/zinc/48/68/62/946486862.db2.gz BKCQCEJINRPKOH-UHFFFAOYSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)NCC(=O)NC1(CNc2nc(C)ccc2-c2nnn[n-]2)CCOCC1 ZINC001573511535 946486857 /nfs/dbraw/zinc/48/68/57/946486857.db2.gz BKCQCEJINRPKOH-UHFFFAOYSA-N -1 3 388.432 -0.216 20 0 GBADHM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573511561 946487107 /nfs/dbraw/zinc/48/71/07/946487107.db2.gz BOELYYDCXOTOEC-YOGCLGLASA-N -1 3 386.416 -0.417 20 0 GBADHM CC(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573511561 946487102 /nfs/dbraw/zinc/48/71/02/946487102.db2.gz BOELYYDCXOTOEC-YOGCLGLASA-N -1 3 386.416 -0.417 20 0 GBADHM CC(=O)NCC(=O)NC1(CO)CCN(c2nc(C)ccc2-c2nn[n-]n2)CC1 ZINC001573511569 946487066 /nfs/dbraw/zinc/48/70/66/946487066.db2.gz BOVZVFFMSXXMPY-UHFFFAOYSA-N -1 3 388.432 -0.846 20 0 GBADHM CC(=O)NCC(=O)NC1(CO)CCN(c2nc(C)ccc2-c2nnn[n-]2)CC1 ZINC001573511569 946487064 /nfs/dbraw/zinc/48/70/64/946487064.db2.gz BOVZVFFMSXXMPY-UHFFFAOYSA-N -1 3 388.432 -0.846 20 0 GBADHM CC(=O)NCC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)c(C)n3)C[C@@]2(C)C1 ZINC001573511736 946488567 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388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573512181 946496137 /nfs/dbraw/zinc/49/61/37/946496137.db2.gz VJJALUSRZPWZMX-YGRLFVJLSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573512181 946496127 /nfs/dbraw/zinc/49/61/27/946496127.db2.gz VJJALUSRZPWZMX-YGRLFVJLSA-N -1 3 388.432 -0.170 20 0 GBADHM CC(=O)NCC(=O)N1C[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]2C1 ZINC001573512186 946495088 /nfs/dbraw/zinc/49/50/88/946495088.db2.gz VMBRUBAQTVUMKL-TXEJJXNPSA-N -1 3 390.835 -0.054 20 0 GBADHM CC(=O)NCC(=O)N1C[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]2C1 ZINC001573512186 946495082 /nfs/dbraw/zinc/49/50/82/946495082.db2.gz VMBRUBAQTVUMKL-TXEJJXNPSA-N -1 3 390.835 -0.054 20 0 GBADHM CC(=O)NCC(=O)N1C[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@]2(C)C1 ZINC001573512241 946496476 /nfs/dbraw/zinc/49/64/76/946496476.db2.gz WVDBUZCYQLRDQF-YVEFUNNKSA-N -1 3 386.416 -0.749 20 0 GBADHM CC(=O)NCC(=O)N1C[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@]2(C)C1 ZINC001573512241 946496465 /nfs/dbraw/zinc/49/64/65/946496465.db2.gz WVDBUZCYQLRDQF-YVEFUNNKSA-N -1 3 386.416 -0.749 20 0 GBADHM CC(=O)NCC(=O)N[C@@]12CCC[C@H]1N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC001573512388 946498808 /nfs/dbraw/zinc/49/88/08/946498808.db2.gz FNDFEZWHPSPAOY-CXAGYDPISA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)NCC(=O)N[C@@]12CCC[C@H]1N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC001573512388 946498800 /nfs/dbraw/zinc/49/88/00/946498800.db2.gz FNDFEZWHPSPAOY-CXAGYDPISA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1N(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CC2 ZINC001573512390 946498320 /nfs/dbraw/zinc/49/83/20/946498320.db2.gz FNDFEZWHPSPAOY-DYVFJYSZSA-N -1 3 386.416 -0.416 20 0 GBADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1N(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CC2 ZINC001573512390 946498311 /nfs/dbraw/zinc/49/83/11/946498311.db2.gz FNDFEZWHPSPAOY-DYVFJYSZSA-N -1 3 386.416 -0.416 20 0 GBADHM 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CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573514430 946528636 /nfs/dbraw/zinc/52/86/36/946528636.db2.gz YXMOCSPYLTZDSB-WCQYABFASA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573514430 946528626 /nfs/dbraw/zinc/52/86/26/946528626.db2.gz YXMOCSPYLTZDSB-WCQYABFASA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573514431 946528554 /nfs/dbraw/zinc/52/85/54/946528554.db2.gz YXMOCSPYLTZDSB-YPMHNXCESA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573514431 946528548 /nfs/dbraw/zinc/52/85/48/946528548.db2.gz YXMOCSPYLTZDSB-YPMHNXCESA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C12CCC2 ZINC001573514532 946528238 /nfs/dbraw/zinc/52/82/38/946528238.db2.gz ZQCSOKGJGXCSFN-CHWSQXEVSA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C12CCC2 ZINC001573514532 946528236 /nfs/dbraw/zinc/52/82/36/946528236.db2.gz ZQCSOKGJGXCSFN-CHWSQXEVSA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C12CCC2 ZINC001573514533 946528134 /nfs/dbraw/zinc/52/81/34/946528134.db2.gz ZQCSOKGJGXCSFN-OLZOCXBDSA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C12CCC2 ZINC001573514533 946528122 /nfs/dbraw/zinc/52/81/22/946528122.db2.gz ZQCSOKGJGXCSFN-OLZOCXBDSA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C12CCC2 ZINC001573514534 946530462 /nfs/dbraw/zinc/53/04/62/946530462.db2.gz ZQCSOKGJGXCSFN-QWHCGFSZSA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C12CCC2 ZINC001573514534 946530456 /nfs/dbraw/zinc/53/04/56/946530456.db2.gz ZQCSOKGJGXCSFN-QWHCGFSZSA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C12CCC2 ZINC001573514535 946529725 /nfs/dbraw/zinc/52/97/25/946529725.db2.gz ZQCSOKGJGXCSFN-STQMWFEESA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C12CCC2 ZINC001573514535 946529711 /nfs/dbraw/zinc/52/97/11/946529711.db2.gz ZQCSOKGJGXCSFN-STQMWFEESA-N -1 3 386.416 -0.512 20 0 GBADHM CC(=O)NCC(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001573514541 946530587 /nfs/dbraw/zinc/53/05/87/946530587.db2.gz ZQYGPTXZVWQVEP-UHFFFAOYSA-N -1 3 388.432 -0.120 20 0 GBADHM CC(=O)NCC(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC001573514541 946530582 /nfs/dbraw/zinc/53/05/82/946530582.db2.gz ZQYGPTXZVWQVEP-UHFFFAOYSA-N -1 3 388.432 -0.120 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573514577 946530682 /nfs/dbraw/zinc/53/06/82/946530682.db2.gz AFUVNPCABXSFOB-CYBMUJFWSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573514577 946530676 /nfs/dbraw/zinc/53/06/76/946530676.db2.gz AFUVNPCABXSFOB-CYBMUJFWSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573514578 946530416 /nfs/dbraw/zinc/53/04/16/946530416.db2.gz AFUVNPCABXSFOB-ZDUSSCGKSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573514578 946530411 /nfs/dbraw/zinc/53/04/11/946530411.db2.gz AFUVNPCABXSFOB-ZDUSSCGKSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCCC1 ZINC001573514603 946529947 /nfs/dbraw/zinc/52/99/47/946529947.db2.gz AYWYGQGMEJIUNW-AWEZNQCLSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCCC1 ZINC001573514603 946529935 /nfs/dbraw/zinc/52/99/35/946529935.db2.gz AYWYGQGMEJIUNW-AWEZNQCLSA-N -1 3 388.432 -0.264 20 0 GBADHM 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ZINC001573514668 946532808 /nfs/dbraw/zinc/53/28/08/946532808.db2.gz CGGGJTAJNPMERT-AAEUAGOBSA-N -1 3 377.380 -0.802 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573514670 946533079 /nfs/dbraw/zinc/53/30/79/946533079.db2.gz CGGGJTAJNPMERT-DGCLKSJQSA-N -1 3 377.380 -0.802 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573514670 946533071 /nfs/dbraw/zinc/53/30/71/946533071.db2.gz CGGGJTAJNPMERT-DGCLKSJQSA-N -1 3 377.380 -0.802 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O ZINC001573514672 946533447 /nfs/dbraw/zinc/53/34/47/946533447.db2.gz CGGGJTAJNPMERT-WCQYABFASA-N -1 3 377.380 -0.802 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O ZINC001573514672 946533441 /nfs/dbraw/zinc/53/34/41/946533441.db2.gz CGGGJTAJNPMERT-WCQYABFASA-N -1 3 377.380 -0.802 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573514675 946532285 /nfs/dbraw/zinc/53/22/85/946532285.db2.gz CGGGJTAJNPMERT-YPMHNXCESA-N -1 3 377.380 -0.802 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573514675 946532283 /nfs/dbraw/zinc/53/22/83/946532283.db2.gz CGGGJTAJNPMERT-YPMHNXCESA-N -1 3 377.380 -0.802 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1(C)C ZINC001573514787 946532275 /nfs/dbraw/zinc/53/22/75/946532275.db2.gz DDLOVVOLMQTOIJ-CYBMUJFWSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1(C)C ZINC001573514787 946532272 /nfs/dbraw/zinc/53/22/72/946532272.db2.gz DDLOVVOLMQTOIJ-CYBMUJFWSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1(C)C ZINC001573514788 946533417 /nfs/dbraw/zinc/53/34/17/946533417.db2.gz DDLOVVOLMQTOIJ-ZDUSSCGKSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1(C)C ZINC001573514788 946533408 /nfs/dbraw/zinc/53/34/08/946533408.db2.gz DDLOVVOLMQTOIJ-ZDUSSCGKSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NCC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573514800 946534947 /nfs/dbraw/zinc/53/49/47/946534947.db2.gz DKMFLCSSYVWJLH-UHFFFAOYSA-N -1 3 385.428 -0.175 20 0 GBADHM CC(=O)NCC(=O)NCC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573514800 946534934 /nfs/dbraw/zinc/53/49/34/946534934.db2.gz DKMFLCSSYVWJLH-UHFFFAOYSA-N -1 3 385.428 -0.175 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001573514848 946534692 /nfs/dbraw/zinc/53/46/92/946534692.db2.gz FERVNUDGOZRLSN-CABCVRRESA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001573514850 946534892 /nfs/dbraw/zinc/53/48/92/946534892.db2.gz FERVNUDGOZRLSN-GJZGRUSLSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573514853 946534568 /nfs/dbraw/zinc/53/45/68/946534568.db2.gz FERVNUDGOZRLSN-HUUCEWRRSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573514854 946534717 /nfs/dbraw/zinc/53/47/17/946534717.db2.gz FERVNUDGOZRLSN-LSDHHAIUSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001573514964 946534763 /nfs/dbraw/zinc/53/47/63/946534763.db2.gz FPBKYNBBQBGUSK-CABCVRRESA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@@H]1O ZINC001573514965 946535700 /nfs/dbraw/zinc/53/57/00/946535700.db2.gz FPBKYNBBQBGUSK-GJZGRUSLSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001573514966 946534467 /nfs/dbraw/zinc/53/44/67/946534467.db2.gz FPBKYNBBQBGUSK-HUUCEWRRSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C[C@H]1O ZINC001573514967 946534309 /nfs/dbraw/zinc/53/43/09/946534309.db2.gz FPBKYNBBQBGUSK-LSDHHAIUSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573515044 946537676 /nfs/dbraw/zinc/53/76/76/946537676.db2.gz GZBHOCJFEYYNJW-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573515044 946537664 /nfs/dbraw/zinc/53/76/64/946537664.db2.gz GZBHOCJFEYYNJW-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(=O)NCC(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1 ZINC001573515243 946541346 /nfs/dbraw/zinc/54/13/46/946541346.db2.gz JOKHPDZYUXJXTO-UHFFFAOYSA-N -1 3 392.395 -0.872 20 0 GBADHM CC(=O)NCC(=O)NCC(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1 ZINC001573515243 946541336 /nfs/dbraw/zinc/54/13/36/946541336.db2.gz JOKHPDZYUXJXTO-UHFFFAOYSA-N -1 3 392.395 -0.872 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001573515310 946543389 /nfs/dbraw/zinc/54/33/89/946543389.db2.gz KUOVTCWRECVURE-NEPJUHHUSA-N -1 3 379.446 -0.884 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573515311 946544252 /nfs/dbraw/zinc/54/42/52/946544252.db2.gz KUOVTCWRECVURE-NWDGAFQWSA-N -1 3 379.446 -0.884 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O ZINC001573515312 946543156 /nfs/dbraw/zinc/54/31/56/946543156.db2.gz KUOVTCWRECVURE-RYUDHWBXSA-N -1 3 379.446 -0.884 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573515314 946543039 /nfs/dbraw/zinc/54/30/39/946543039.db2.gz KUOVTCWRECVURE-VXGBXAGGSA-N -1 3 379.446 -0.884 20 0 GBADHM CC(=O)NCC(=O)NCC(C)(C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573515426 946543407 /nfs/dbraw/zinc/54/34/07/946543407.db2.gz MFQIQURCLOBZAT-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(=O)NCC(C)(C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573515426 946543401 /nfs/dbraw/zinc/54/34/01/946543401.db2.gz MFQIQURCLOBZAT-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573515730 946551922 /nfs/dbraw/zinc/55/19/22/946551922.db2.gz QAQVYQWYDIROCM-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573515730 946551914 /nfs/dbraw/zinc/55/19/14/946551914.db2.gz QAQVYQWYDIROCM-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573515731 946550635 /nfs/dbraw/zinc/55/06/35/946550635.db2.gz QAQVYQWYDIROCM-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573515731 946550632 /nfs/dbraw/zinc/55/06/32/946550632.db2.gz QAQVYQWYDIROCM-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573515753 946550901 /nfs/dbraw/zinc/55/09/01/946550901.db2.gz QMYYOCZETVAOGA-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573515753 946550889 /nfs/dbraw/zinc/55/08/89/946550889.db2.gz QMYYOCZETVAOGA-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](CC(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573515754 946550506 /nfs/dbraw/zinc/55/05/06/946550506.db2.gz QMYYOCZETVAOGA-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](CC(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573515754 946550499 /nfs/dbraw/zinc/55/04/99/946550499.db2.gz QMYYOCZETVAOGA-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573515762 946551112 /nfs/dbraw/zinc/55/11/12/946551112.db2.gz QTDDRGDETVIGAQ-CYBMUJFWSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573515762 946551086 /nfs/dbraw/zinc/55/10/86/946551086.db2.gz QTDDRGDETVIGAQ-CYBMUJFWSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1(C)C ZINC001573515763 946552261 /nfs/dbraw/zinc/55/22/61/946552261.db2.gz QTDDRGDETVIGAQ-ZDUSSCGKSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573515763 946552248 /nfs/dbraw/zinc/55/22/48/946552248.db2.gz QTDDRGDETVIGAQ-ZDUSSCGKSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573515771 946551659 /nfs/dbraw/zinc/55/16/59/946551659.db2.gz QXQVHCJPOPKMOD-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573515771 946551654 /nfs/dbraw/zinc/55/16/54/946551654.db2.gz QXQVHCJPOPKMOD-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](CC(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573515772 946551517 /nfs/dbraw/zinc/55/15/17/946551517.db2.gz QXQVHCJPOPKMOD-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](CC(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573515772 946551510 /nfs/dbraw/zinc/55/15/10/946551510.db2.gz QXQVHCJPOPKMOD-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1O ZINC001573515797 946554800 /nfs/dbraw/zinc/55/48/00/946554800.db2.gz ROMZWWOWKFRCFD-CABCVRRESA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@@H]1O ZINC001573515798 946552976 /nfs/dbraw/zinc/55/29/76/946552976.db2.gz ROMZWWOWKFRCFD-GJZGRUSLSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1O ZINC001573515799 946554674 /nfs/dbraw/zinc/55/46/74/946554674.db2.gz ROMZWWOWKFRCFD-HUUCEWRRSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C[C@H]1O ZINC001573515800 946554759 /nfs/dbraw/zinc/55/47/59/946554759.db2.gz ROMZWWOWKFRCFD-LSDHHAIUSA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573515925 946552891 /nfs/dbraw/zinc/55/28/91/946552891.db2.gz SHZAUAGVKNNRRQ-AWEZNQCLSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573515925 946552881 /nfs/dbraw/zinc/55/28/81/946552881.db2.gz SHZAUAGVKNNRRQ-AWEZNQCLSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCCC1 ZINC001573515926 946553720 /nfs/dbraw/zinc/55/37/20/946553720.db2.gz SHZAUAGVKNNRRQ-CQSZACIVSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCCC1 ZINC001573515926 946553710 /nfs/dbraw/zinc/55/37/10/946553710.db2.gz SHZAUAGVKNNRRQ-CQSZACIVSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573515985 946553472 /nfs/dbraw/zinc/55/34/72/946553472.db2.gz UJAFZEGKTCSQHM-HNNXBMFYSA-N -1 3 385.428 -0.538 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1COC2(CN(Cc3ccc(-c4nnn[n-]4)cc3)C2)C1 ZINC001573515985 946553464 /nfs/dbraw/zinc/55/34/64/946553464.db2.gz UJAFZEGKTCSQHM-HNNXBMFYSA-N -1 3 385.428 -0.538 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1COC2(CN(Cc3ccc(-c4nn[n-]n4)cc3)C2)C1 ZINC001573515990 946556334 /nfs/dbraw/zinc/55/63/34/946556334.db2.gz 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CC(=O)NCC(=O)N[C@@H]1COC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573516335 946560170 /nfs/dbraw/zinc/56/01/70/946560170.db2.gz YAMHXYIPNFOGIZ-HNNXBMFYSA-N -1 3 385.428 -0.538 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1COC2(CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573516335 946560167 /nfs/dbraw/zinc/56/01/67/946560167.db2.gz YAMHXYIPNFOGIZ-HNNXBMFYSA-N -1 3 385.428 -0.538 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1COC2(CN(Cc3cccc(-c4nn[n-]n4)c3)C2)C1 ZINC001573516336 946560361 /nfs/dbraw/zinc/56/03/61/946560361.db2.gz YAMHXYIPNFOGIZ-OAHLLOKOSA-N -1 3 385.428 -0.538 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1COC2(CN(Cc3cccc(-c4nnn[n-]4)c3)C2)C1 ZINC001573516336 946560357 /nfs/dbraw/zinc/56/03/57/946560357.db2.gz YAMHXYIPNFOGIZ-OAHLLOKOSA-N -1 3 385.428 -0.538 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001573516355 946560263 /nfs/dbraw/zinc/56/02/63/946560263.db2.gz YCOZTFJMWMENHV-CABCVRRESA-N -1 3 391.407 -0.807 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C[C@@H]1O 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/nfs/dbraw/zinc/56/12/57/946561257.db2.gz YSWHXDGBTIRGNU-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573516406 946561252 /nfs/dbraw/zinc/56/12/52/946561252.db2.gz YSWHXDGBTIRGNU-LBPRGKRZSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573516441 946562891 /nfs/dbraw/zinc/56/28/91/946562891.db2.gz ZRKZOHKMHBZKIS-AWEZNQCLSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573516441 946562882 /nfs/dbraw/zinc/56/28/82/946562882.db2.gz ZRKZOHKMHBZKIS-AWEZNQCLSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCCC1 ZINC001573516443 946561814 /nfs/dbraw/zinc/56/18/14/946561814.db2.gz ZRKZOHKMHBZKIS-CQSZACIVSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCCC1 ZINC001573516443 946561807 /nfs/dbraw/zinc/56/18/07/946561807.db2.gz 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CC(=O)NCC(=O)NCC1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573517006 946564354 /nfs/dbraw/zinc/56/43/54/946564354.db2.gz CGYNUQUJTHBUPK-UHFFFAOYSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001573517165 946566396 /nfs/dbraw/zinc/56/63/96/946566396.db2.gz DNQOAZJMDLGICI-UHFFFAOYSA-N -1 3 388.432 -0.120 20 0 GBADHM CC(=O)NCC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC001573517165 946566387 /nfs/dbraw/zinc/56/63/87/946566387.db2.gz DNQOAZJMDLGICI-UHFFFAOYSA-N -1 3 388.432 -0.120 20 0 GBADHM CC(=O)NCC(=O)NCC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573517237 946566359 /nfs/dbraw/zinc/56/63/59/946566359.db2.gz FLEYFRFXDRBDJY-UHFFFAOYSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NCC1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573517237 946566351 /nfs/dbraw/zinc/56/63/51/946566351.db2.gz FLEYFRFXDRBDJY-UHFFFAOYSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1C 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3 377.380 -0.801 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(O)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573517359 946569346 /nfs/dbraw/zinc/56/93/46/946569346.db2.gz ILFYZUPKAFKMMD-INIZCTEOSA-N -1 3 377.380 -0.801 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(O)CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573517360 946569661 /nfs/dbraw/zinc/56/96/61/946569661.db2.gz ILFYZUPKAFKMMD-MRXNPFEDSA-N -1 3 377.380 -0.801 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(O)CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573517360 946569652 /nfs/dbraw/zinc/56/96/52/946569652.db2.gz ILFYZUPKAFKMMD-MRXNPFEDSA-N -1 3 377.380 -0.801 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573517363 946571870 /nfs/dbraw/zinc/57/18/70/946571870.db2.gz IREXNXGFALPTHY-KRWDZBQOSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573517363 946571862 /nfs/dbraw/zinc/57/18/62/946571862.db2.gz IREXNXGFALPTHY-KRWDZBQOSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573517364 946572524 /nfs/dbraw/zinc/57/25/24/946572524.db2.gz IREXNXGFALPTHY-QGZVFWFLSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573517364 946572515 /nfs/dbraw/zinc/57/25/15/946572515.db2.gz IREXNXGFALPTHY-QGZVFWFLSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC001573517380 946572471 /nfs/dbraw/zinc/57/24/71/946572471.db2.gz IXIHIRCUYAIQMY-UHFFFAOYSA-N -1 3 392.395 -0.386 20 0 GBADHM CC(=O)NCC(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CCOCC1 ZINC001573517380 946572457 /nfs/dbraw/zinc/57/24/57/946572457.db2.gz IXIHIRCUYAIQMY-UHFFFAOYSA-N -1 3 392.395 -0.386 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573517451 946574169 /nfs/dbraw/zinc/57/41/69/946574169.db2.gz KJSDRXPPGDAZGX-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573517451 946574166 /nfs/dbraw/zinc/57/41/66/946574166.db2.gz KJSDRXPPGDAZGX-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573517452 946573531 /nfs/dbraw/zinc/57/35/31/946573531.db2.gz KJSDRXPPGDAZGX-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573517452 946573525 /nfs/dbraw/zinc/57/35/25/946573525.db2.gz KJSDRXPPGDAZGX-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCO1 ZINC001573517527 946576789 /nfs/dbraw/zinc/57/67/89/946576789.db2.gz MKUFFWJLKDFNEK-KRWDZBQOSA-N -1 3 388.432 -0.582 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCO1 ZINC001573517527 946576785 /nfs/dbraw/zinc/57/67/85/946576785.db2.gz MKUFFWJLKDFNEK-KRWDZBQOSA-N -1 3 388.432 -0.582 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCO1 ZINC001573517528 946577715 /nfs/dbraw/zinc/57/77/15/946577715.db2.gz MKUFFWJLKDFNEK-QGZVFWFLSA-N -1 3 388.432 -0.582 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCO1 ZINC001573517528 946577703 /nfs/dbraw/zinc/57/77/03/946577703.db2.gz MKUFFWJLKDFNEK-QGZVFWFLSA-N -1 3 388.432 -0.582 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001573517557 946576479 /nfs/dbraw/zinc/57/64/79/946576479.db2.gz NEDKVABVRGMPEH-CMPLNLGQSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001573517557 946576460 /nfs/dbraw/zinc/57/64/60/946576460.db2.gz NEDKVABVRGMPEH-CMPLNLGQSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1C ZINC001573517558 946576525 /nfs/dbraw/zinc/57/65/25/946576525.db2.gz NEDKVABVRGMPEH-JQWIXIFHSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1C ZINC001573517558 946576516 /nfs/dbraw/zinc/57/65/16/946576516.db2.gz NEDKVABVRGMPEH-JQWIXIFHSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001573517559 946576773 /nfs/dbraw/zinc/57/67/73/946576773.db2.gz NEDKVABVRGMPEH-PWSUYJOCSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001573517559 946576768 /nfs/dbraw/zinc/57/67/68/946576768.db2.gz NEDKVABVRGMPEH-PWSUYJOCSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1C ZINC001573517560 946576864 /nfs/dbraw/zinc/57/68/64/946576864.db2.gz NEDKVABVRGMPEH-ZYHUDNBSSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001573517560 946576859 /nfs/dbraw/zinc/57/68/59/946576859.db2.gz NEDKVABVRGMPEH-ZYHUDNBSSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573517563 946576661 /nfs/dbraw/zinc/57/66/61/946576661.db2.gz NIBQWTAVKPDZTP-NEPJUHHUSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573517563 946576653 /nfs/dbraw/zinc/57/66/53/946576653.db2.gz NIBQWTAVKPDZTP-NEPJUHHUSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573517564 946576820 /nfs/dbraw/zinc/57/68/20/946576820.db2.gz NIBQWTAVKPDZTP-NWDGAFQWSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573517564 946576816 /nfs/dbraw/zinc/57/68/16/946576816.db2.gz NIBQWTAVKPDZTP-NWDGAFQWSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573517565 946576555 /nfs/dbraw/zinc/57/65/55/946576555.db2.gz NIBQWTAVKPDZTP-RYUDHWBXSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573517565 946576545 /nfs/dbraw/zinc/57/65/45/946576545.db2.gz NIBQWTAVKPDZTP-RYUDHWBXSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573517566 946576985 /nfs/dbraw/zinc/57/69/85/946576985.db2.gz NIBQWTAVKPDZTP-VXGBXAGGSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573517566 946576973 /nfs/dbraw/zinc/57/69/73/946576973.db2.gz NIBQWTAVKPDZTP-VXGBXAGGSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573517601 946577154 /nfs/dbraw/zinc/57/71/54/946577154.db2.gz OKINXXDCDBNQDR-HZMBPMFUSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573517601 946577144 /nfs/dbraw/zinc/57/71/44/946577144.db2.gz OKINXXDCDBNQDR-HZMBPMFUSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573517602 946579917 /nfs/dbraw/zinc/57/99/17/946579917.db2.gz OKINXXDCDBNQDR-IINYFYTJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573517602 946579909 /nfs/dbraw/zinc/57/99/09/946579909.db2.gz OKINXXDCDBNQDR-IINYFYTJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573517603 946580418 /nfs/dbraw/zinc/58/04/18/946580418.db2.gz OKINXXDCDBNQDR-QMTHXVAHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573517603 946580405 /nfs/dbraw/zinc/58/04/05/946580405.db2.gz OKINXXDCDBNQDR-QMTHXVAHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573517604 946580074 /nfs/dbraw/zinc/58/00/74/946580074.db2.gz OKINXXDCDBNQDR-YGRLFVJLSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573517604 946580068 /nfs/dbraw/zinc/58/00/68/946580068.db2.gz OKINXXDCDBNQDR-YGRLFVJLSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001573517635 946579625 /nfs/dbraw/zinc/57/96/25/946579625.db2.gz OSVVWDXDNLLHHO-KRWDZBQOSA-N -1 3 391.407 -0.147 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001573517635 946579621 /nfs/dbraw/zinc/57/96/21/946579621.db2.gz OSVVWDXDNLLHHO-KRWDZBQOSA-N -1 3 391.407 -0.147 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001573517637 946579343 /nfs/dbraw/zinc/57/93/43/946579343.db2.gz OSVVWDXDNLLHHO-QGZVFWFLSA-N -1 3 391.407 -0.147 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001573517637 946579330 /nfs/dbraw/zinc/57/93/30/946579330.db2.gz OSVVWDXDNLLHHO-QGZVFWFLSA-N -1 3 391.407 -0.147 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573517650 946580379 /nfs/dbraw/zinc/58/03/79/946580379.db2.gz OZXHTBCQYWTSNM-HZMBPMFUSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573517650 946580370 /nfs/dbraw/zinc/58/03/70/946580370.db2.gz OZXHTBCQYWTSNM-HZMBPMFUSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573517651 946579239 /nfs/dbraw/zinc/57/92/39/946579239.db2.gz OZXHTBCQYWTSNM-IINYFYTJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573517651 946579228 /nfs/dbraw/zinc/57/92/28/946579228.db2.gz OZXHTBCQYWTSNM-IINYFYTJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573517652 946579868 /nfs/dbraw/zinc/57/98/68/946579868.db2.gz OZXHTBCQYWTSNM-QMTHXVAHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573517652 946579860 /nfs/dbraw/zinc/57/98/60/946579860.db2.gz OZXHTBCQYWTSNM-QMTHXVAHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573517653 946579215 /nfs/dbraw/zinc/57/92/15/946579215.db2.gz OZXHTBCQYWTSNM-YGRLFVJLSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573517653 946579201 /nfs/dbraw/zinc/57/92/01/946579201.db2.gz OZXHTBCQYWTSNM-YGRLFVJLSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573517725 946579016 /nfs/dbraw/zinc/57/90/16/946579016.db2.gz QCRZUUXIIVKPOU-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573517725 946579012 /nfs/dbraw/zinc/57/90/12/946579012.db2.gz QCRZUUXIIVKPOU-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573517727 946579051 /nfs/dbraw/zinc/57/90/51/946579051.db2.gz QCRZUUXIIVKPOU-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573517727 946579038 /nfs/dbraw/zinc/57/90/38/946579038.db2.gz QCRZUUXIIVKPOU-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573517784 946582815 /nfs/dbraw/zinc/58/28/15/946582815.db2.gz RNWWILUQRYJUQT-HZMBPMFUSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573517784 946582809 /nfs/dbraw/zinc/58/28/09/946582809.db2.gz RNWWILUQRYJUQT-HZMBPMFUSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573517785 946581400 /nfs/dbraw/zinc/58/14/00/946581400.db2.gz RNWWILUQRYJUQT-IINYFYTJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573517785 946581393 /nfs/dbraw/zinc/58/13/93/946581393.db2.gz RNWWILUQRYJUQT-IINYFYTJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573517786 946581620 /nfs/dbraw/zinc/58/16/20/946581620.db2.gz RNWWILUQRYJUQT-QMTHXVAHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573517786 946581610 /nfs/dbraw/zinc/58/16/10/946581610.db2.gz RNWWILUQRYJUQT-QMTHXVAHSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573517789 946583065 /nfs/dbraw/zinc/58/30/65/946583065.db2.gz RNWWILUQRYJUQT-YGRLFVJLSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573517789 946583058 /nfs/dbraw/zinc/58/30/58/946583058.db2.gz RNWWILUQRYJUQT-YGRLFVJLSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573517808 946582918 /nfs/dbraw/zinc/58/29/18/946582918.db2.gz RQZPROROKKOQNQ-KRWDZBQOSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573517808 946582912 /nfs/dbraw/zinc/58/29/12/946582912.db2.gz RQZPROROKKOQNQ-KRWDZBQOSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573517809 946581584 /nfs/dbraw/zinc/58/15/84/946581584.db2.gz RQZPROROKKOQNQ-QGZVFWFLSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573517809 946581578 /nfs/dbraw/zinc/58/15/78/946581578.db2.gz RQZPROROKKOQNQ-QGZVFWFLSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CN(c2nc(C)ccc2-c2nn[n-]n2)CCO1 ZINC001573517823 946581861 /nfs/dbraw/zinc/58/18/61/946581861.db2.gz RUNIZAPPPCPUQV-KRWDZBQOSA-N -1 3 388.432 -0.582 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CN(c2nc(C)ccc2-c2nnn[n-]2)CCO1 ZINC001573517823 946581854 /nfs/dbraw/zinc/58/18/54/946581854.db2.gz RUNIZAPPPCPUQV-KRWDZBQOSA-N -1 3 388.432 -0.582 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CN(c2nc(C)ccc2-c2nn[n-]n2)CCO1 ZINC001573517824 946582484 /nfs/dbraw/zinc/58/24/84/946582484.db2.gz RUNIZAPPPCPUQV-QGZVFWFLSA-N -1 3 388.432 -0.582 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CN(c2nc(C)ccc2-c2nnn[n-]2)CCO1 ZINC001573517824 946582479 /nfs/dbraw/zinc/58/24/79/946582479.db2.gz RUNIZAPPPCPUQV-QGZVFWFLSA-N -1 3 388.432 -0.582 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573517843 946581054 /nfs/dbraw/zinc/58/10/54/946581054.db2.gz SKMBLJZTFGHMGD-AAEUAGOBSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573517843 946581051 /nfs/dbraw/zinc/58/10/51/946581051.db2.gz SKMBLJZTFGHMGD-AAEUAGOBSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573517844 946581975 /nfs/dbraw/zinc/58/19/75/946581975.db2.gz SKMBLJZTFGHMGD-DGCLKSJQSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573517844 946581962 /nfs/dbraw/zinc/58/19/62/946581962.db2.gz SKMBLJZTFGHMGD-DGCLKSJQSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573517845 946582637 /nfs/dbraw/zinc/58/26/37/946582637.db2.gz SKMBLJZTFGHMGD-WCQYABFASA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573517845 946582630 /nfs/dbraw/zinc/58/26/30/946582630.db2.gz SKMBLJZTFGHMGD-WCQYABFASA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573517846 946582347 /nfs/dbraw/zinc/58/23/47/946582347.db2.gz SKMBLJZTFGHMGD-YPMHNXCESA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573517846 946582336 /nfs/dbraw/zinc/58/23/36/946582336.db2.gz SKMBLJZTFGHMGD-YPMHNXCESA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573517892 946584522 /nfs/dbraw/zinc/58/45/22/946584522.db2.gz UFEHPOVOYLWOIG-GFCCVEGCSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573517892 946584515 /nfs/dbraw/zinc/58/45/15/946584515.db2.gz UFEHPOVOYLWOIG-GFCCVEGCSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573517894 946584740 /nfs/dbraw/zinc/58/47/40/946584740.db2.gz UFEHPOVOYLWOIG-LBPRGKRZSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573517894 946584737 /nfs/dbraw/zinc/58/47/37/946584737.db2.gz UFEHPOVOYLWOIG-LBPRGKRZSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573517900 946584383 /nfs/dbraw/zinc/58/43/83/946584383.db2.gz UJULCWXDWHJSLV-GOSISDBHSA-N -1 3 387.444 -0.290 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573517902 946583794 /nfs/dbraw/zinc/58/37/94/946583794.db2.gz UJULCWXDWHJSLV-SFHVURJKSA-N -1 3 387.444 -0.290 20 0 GBADHM CC(=O)NCC(=O)NCC1(C)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573518024 946585382 /nfs/dbraw/zinc/58/53/82/946585382.db2.gz VZNRVOOIVXIAAE-UHFFFAOYSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NCC1(C)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573518024 946585367 /nfs/dbraw/zinc/58/53/67/946585367.db2.gz VZNRVOOIVXIAAE-UHFFFAOYSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573518068 946588290 /nfs/dbraw/zinc/58/82/90/946588290.db2.gz XDFJAVAPYSXZFU-INIZCTEOSA-N -1 3 392.395 -0.752 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573518068 946588285 /nfs/dbraw/zinc/58/82/85/946588285.db2.gz XDFJAVAPYSXZFU-INIZCTEOSA-N -1 3 392.395 -0.752 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CN(c2ncc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573518069 946588238 /nfs/dbraw/zinc/58/82/38/946588238.db2.gz XDFJAVAPYSXZFU-MRXNPFEDSA-N -1 3 392.395 -0.752 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CN(c2ncc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573518069 946588230 /nfs/dbraw/zinc/58/82/30/946588230.db2.gz XDFJAVAPYSXZFU-MRXNPFEDSA-N -1 3 392.395 -0.752 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573518140 946586166 /nfs/dbraw/zinc/58/61/66/946586166.db2.gz YEFNOYPZCWXFJS-GOSISDBHSA-N -1 3 387.444 -0.290 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573518140 946586161 /nfs/dbraw/zinc/58/61/61/946586161.db2.gz YEFNOYPZCWXFJS-GOSISDBHSA-N -1 3 387.444 -0.290 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CN(Cc2ccccc2-c2nn[n-]n2)CCO1 ZINC001573518142 946586123 /nfs/dbraw/zinc/58/61/23/946586123.db2.gz YEFNOYPZCWXFJS-SFHVURJKSA-N -1 3 387.444 -0.290 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CN(Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC001573518142 946586118 /nfs/dbraw/zinc/58/61/18/946586118.db2.gz YEFNOYPZCWXFJS-SFHVURJKSA-N -1 3 387.444 -0.290 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573518308 946587709 /nfs/dbraw/zinc/58/77/09/946587709.db2.gz YPVZWIPBAYDYMN-GOSISDBHSA-N -1 3 387.444 -0.290 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CN(Cc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001573518309 946586641 /nfs/dbraw/zinc/58/66/41/946586641.db2.gz YPVZWIPBAYDYMN-SFHVURJKSA-N -1 3 387.444 -0.290 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573518314 946587259 /nfs/dbraw/zinc/58/72/59/946587259.db2.gz YSMOKLUHYIILQA-KRWDZBQOSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@]1(C)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573518314 946587252 /nfs/dbraw/zinc/58/72/52/946587252.db2.gz YSMOKLUHYIILQA-KRWDZBQOSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573518315 946588171 /nfs/dbraw/zinc/58/81/71/946588171.db2.gz YSMOKLUHYIILQA-QGZVFWFLSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@@]1(C)CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573518315 946588162 /nfs/dbraw/zinc/58/81/62/946588162.db2.gz YSMOKLUHYIILQA-QGZVFWFLSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573518320 946588141 /nfs/dbraw/zinc/58/81/41/946588141.db2.gz YVAFZHQJFPMXCO-JTQLQIEISA-N -1 3 378.824 -0.006 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573518320 946588131 /nfs/dbraw/zinc/58/81/31/946588131.db2.gz YVAFZHQJFPMXCO-JTQLQIEISA-N -1 3 378.824 -0.006 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573518321 946588403 /nfs/dbraw/zinc/58/84/03/946588403.db2.gz YVAFZHQJFPMXCO-SNVBAGLBSA-N -1 3 378.824 -0.006 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573518321 946588392 /nfs/dbraw/zinc/58/83/92/946588392.db2.gz YVAFZHQJFPMXCO-SNVBAGLBSA-N -1 3 378.824 -0.006 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573518350 946590737 /nfs/dbraw/zinc/59/07/37/946590737.db2.gz ZYBIOEQSRJNUTO-LLVKDONJSA-N -1 3 376.396 -0.131 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573518350 946590729 /nfs/dbraw/zinc/59/07/29/946590729.db2.gz ZYBIOEQSRJNUTO-LLVKDONJSA-N -1 3 376.396 -0.131 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573518351 946590980 /nfs/dbraw/zinc/59/09/80/946590980.db2.gz ZYBIOEQSRJNUTO-NSHDSACASA-N -1 3 376.396 -0.131 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573518351 946590968 /nfs/dbraw/zinc/59/09/68/946590968.db2.gz ZYBIOEQSRJNUTO-NSHDSACASA-N -1 3 376.396 -0.131 20 0 GBADHM CC(=O)NCC(=O)NCCC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573520011 946590813 /nfs/dbraw/zinc/59/08/13/946590813.db2.gz AASCHDWDPXAPBV-UHFFFAOYSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NCCC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573520011 946590802 /nfs/dbraw/zinc/59/08/02/946590802.db2.gz AASCHDWDPXAPBV-UHFFFAOYSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NCCC1=CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573520031 946589394 /nfs/dbraw/zinc/58/93/94/946589394.db2.gz AKYDALCGTGZHGR-UHFFFAOYSA-N -1 3 386.416 -0.391 20 0 GBADHM CC(=O)NCC(=O)NCCC1=CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573520031 946589385 /nfs/dbraw/zinc/58/93/85/946589385.db2.gz AKYDALCGTGZHGR-UHFFFAOYSA-N -1 3 386.416 -0.391 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1COCCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573520057 946590229 /nfs/dbraw/zinc/59/02/29/946590229.db2.gz BDZOZLZNUIQHQY-AWEZNQCLSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1COCCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573520057 946590218 /nfs/dbraw/zinc/59/02/18/946590218.db2.gz BDZOZLZNUIQHQY-AWEZNQCLSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1COCCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC001573520058 946590830 /nfs/dbraw/zinc/59/08/30/946590830.db2.gz BDZOZLZNUIQHQY-CQSZACIVSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1COCCN1Cc1cc(-c2nnn[n-]2)ccc1F ZINC001573520058 946590826 /nfs/dbraw/zinc/59/08/26/946590826.db2.gz BDZOZLZNUIQHQY-CQSZACIVSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NCCN1CCN(Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573520061 946590602 /nfs/dbraw/zinc/59/06/02/946590602.db2.gz BGKNRAWJOFNTEZ-UHFFFAOYSA-N -1 3 392.489 -0.702 20 0 GBADHM CC(=O)NCC(=O)NCCN1CCN(Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573520061 946590594 /nfs/dbraw/zinc/59/05/94/946590594.db2.gz BGKNRAWJOFNTEZ-UHFFFAOYSA-N -1 3 392.489 -0.702 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573520066 946589347 /nfs/dbraw/zinc/58/93/47/946589347.db2.gz BIRCQYRINLJIQO-AULYBMBSSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573520066 946589340 /nfs/dbraw/zinc/58/93/40/946589340.db2.gz BIRCQYRINLJIQO-AULYBMBSSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NCC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573520072 946592198 /nfs/dbraw/zinc/59/21/98/946592198.db2.gz BXIVLAHFKIHPHG-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NCC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573520072 946592192 /nfs/dbraw/zinc/59/21/92/946592192.db2.gz BXIVLAHFKIHPHG-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573520073 946591920 /nfs/dbraw/zinc/59/19/20/946591920.db2.gz BXIVLAHFKIHPHG-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573520073 946591915 /nfs/dbraw/zinc/59/19/15/946591915.db2.gz BXIVLAHFKIHPHG-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCCO1 ZINC001573520075 946593150 /nfs/dbraw/zinc/59/31/50/946593150.db2.gz BXMZEKLBFPQESJ-CYBMUJFWSA-N -1 3 388.432 -0.582 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCCO1 ZINC001573520075 946593139 /nfs/dbraw/zinc/59/31/39/946593139.db2.gz BXMZEKLBFPQESJ-CYBMUJFWSA-N -1 3 388.432 -0.582 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCCO1 ZINC001573520076 946592042 /nfs/dbraw/zinc/59/20/42/946592042.db2.gz BXMZEKLBFPQESJ-ZDUSSCGKSA-N -1 3 388.432 -0.582 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCCO1 ZINC001573520076 946592038 /nfs/dbraw/zinc/59/20/38/946592038.db2.gz BXMZEKLBFPQESJ-ZDUSSCGKSA-N -1 3 388.432 -0.582 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CCO1 ZINC001573520080 946593608 /nfs/dbraw/zinc/59/36/08/946593608.db2.gz CBXMDPXEWARSQB-CYBMUJFWSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCO1 ZINC001573520080 946593601 /nfs/dbraw/zinc/59/36/01/946593601.db2.gz CBXMDPXEWARSQB-CYBMUJFWSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CCO1 ZINC001573520081 946592393 /nfs/dbraw/zinc/59/23/93/946592393.db2.gz CBXMDPXEWARSQB-ZDUSSCGKSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CCO1 ZINC001573520081 946592386 /nfs/dbraw/zinc/59/23/86/946592386.db2.gz CBXMDPXEWARSQB-ZDUSSCGKSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573520087 946592134 /nfs/dbraw/zinc/59/21/34/946592134.db2.gz CGWPNASHVNNCKQ-AWEZNQCLSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573520087 946592127 /nfs/dbraw/zinc/59/21/27/946592127.db2.gz CGWPNASHVNNCKQ-AWEZNQCLSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC001573520088 946592232 /nfs/dbraw/zinc/59/22/32/946592232.db2.gz CGWPNASHVNNCKQ-CQSZACIVSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC001573520088 946592226 /nfs/dbraw/zinc/59/22/26/946592226.db2.gz CGWPNASHVNNCKQ-CQSZACIVSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NCCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573520115 946592722 /nfs/dbraw/zinc/59/27/22/946592722.db2.gz DJOSPLVMNZUMDO-JTQLQIEISA-N -1 3 376.421 -0.264 20 0 GBADHM CC(=O)NCC(=O)NCCCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573520115 946592715 /nfs/dbraw/zinc/59/27/15/946592715.db2.gz DJOSPLVMNZUMDO-JTQLQIEISA-N -1 3 376.421 -0.264 20 0 GBADHM CC(=O)NCC(=O)NCCCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573520116 946591863 /nfs/dbraw/zinc/59/18/63/946591863.db2.gz DJOSPLVMNZUMDO-SNVBAGLBSA-N -1 3 376.421 -0.264 20 0 GBADHM CC(=O)NCC(=O)NCCCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573520116 946591854 /nfs/dbraw/zinc/59/18/54/946591854.db2.gz DJOSPLVMNZUMDO-SNVBAGLBSA-N -1 3 376.421 -0.264 20 0 GBADHM CC(=O)NCC(=O)NCCN1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573520248 946592840 /nfs/dbraw/zinc/59/28/40/946592840.db2.gz FOOKVGIMFYIHHL-UHFFFAOYSA-N -1 3 390.423 -0.620 20 0 GBADHM CC(=O)NCC(=O)NCCN1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573520248 946592831 /nfs/dbraw/zinc/59/28/31/946592831.db2.gz FOOKVGIMFYIHHL-UHFFFAOYSA-N -1 3 390.423 -0.620 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1COCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573520261 946596563 /nfs/dbraw/zinc/59/65/63/946596563.db2.gz GFWKUMAVUMHINW-AWEZNQCLSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1COCCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573520261 946596553 /nfs/dbraw/zinc/59/65/53/946596553.db2.gz GFWKUMAVUMHINW-AWEZNQCLSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1COCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC001573520262 946595367 /nfs/dbraw/zinc/59/53/67/946595367.db2.gz GFWKUMAVUMHINW-CQSZACIVSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1COCCN1Cc1cc(F)ccc1-c1nnn[n-]1 ZINC001573520262 946595362 /nfs/dbraw/zinc/59/53/62/946595362.db2.gz GFWKUMAVUMHINW-CQSZACIVSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573520270 946596588 /nfs/dbraw/zinc/59/65/88/946596588.db2.gz GLLMXOLARXHLJH-BXKDBHETSA-N -1 3 376.396 -0.275 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573520270 946596578 /nfs/dbraw/zinc/59/65/78/946596578.db2.gz GLLMXOLARXHLJH-BXKDBHETSA-N -1 3 376.396 -0.275 20 0 GBADHM CC(=O)NCC(=O)NCCC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573520289 946595880 /nfs/dbraw/zinc/59/58/80/946595880.db2.gz HITSXFGPAMIBIT-UHFFFAOYSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NCCC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573520289 946595875 /nfs/dbraw/zinc/59/58/75/946595875.db2.gz HITSXFGPAMIBIT-UHFFFAOYSA-N -1 3 388.432 -0.311 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573520293 946594517 /nfs/dbraw/zinc/59/45/17/946594517.db2.gz HMUJGMKCXNFFBN-AULYBMBSSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573520293 946594510 /nfs/dbraw/zinc/59/45/10/946594510.db2.gz HMUJGMKCXNFFBN-AULYBMBSSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCCO1 ZINC001573520300 946595334 /nfs/dbraw/zinc/59/53/34/946595334.db2.gz HTVUVNPBZWDIJC-GFCCVEGCSA-N -1 3 392.395 -0.752 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCCO1 ZINC001573520300 946595327 /nfs/dbraw/zinc/59/53/27/946595327.db2.gz HTVUVNPBZWDIJC-GFCCVEGCSA-N -1 3 392.395 -0.752 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)CCCO1 ZINC001573520301 946595749 /nfs/dbraw/zinc/59/57/49/946595749.db2.gz HTVUVNPBZWDIJC-LBPRGKRZSA-N -1 3 392.395 -0.752 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)CCCO1 ZINC001573520301 946595741 /nfs/dbraw/zinc/59/57/41/946595741.db2.gz HTVUVNPBZWDIJC-LBPRGKRZSA-N -1 3 392.395 -0.752 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1COCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001573520312 946596142 /nfs/dbraw/zinc/59/61/42/946596142.db2.gz IDUZSSRHFCYZBH-JTQLQIEISA-N -1 3 380.434 -0.911 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1COCCN1c1snc(C)c1-c1nnn[n-]1 ZINC001573520313 946595426 /nfs/dbraw/zinc/59/54/26/946595426.db2.gz IDUZSSRHFCYZBH-SNVBAGLBSA-N -1 3 380.434 -0.911 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC001573520552 946598950 /nfs/dbraw/zinc/59/89/50/946598950.db2.gz KBWUJXVVLAXNHY-CYBMUJFWSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC001573520552 946598938 /nfs/dbraw/zinc/59/89/38/946598938.db2.gz KBWUJXVVLAXNHY-CYBMUJFWSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC001573520553 946598868 /nfs/dbraw/zinc/59/88/68/946598868.db2.gz KBWUJXVVLAXNHY-ZDUSSCGKSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CCO1 ZINC001573520553 946598855 /nfs/dbraw/zinc/59/88/55/946598855.db2.gz KBWUJXVVLAXNHY-ZDUSSCGKSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C ZINC001573520570 946599248 /nfs/dbraw/zinc/59/92/48/946599248.db2.gz KMROQSBXBOSINA-ZYHUDNBSSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C ZINC001573520570 946599238 /nfs/dbraw/zinc/59/92/38/946599238.db2.gz KMROQSBXBOSINA-ZYHUDNBSSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573520579 946599845 /nfs/dbraw/zinc/59/98/45/946599845.db2.gz LBWUIAQHIMLRDU-LLVKDONJSA-N -1 3 376.396 -0.131 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573520579 946599833 /nfs/dbraw/zinc/59/98/33/946599833.db2.gz LBWUIAQHIMLRDU-LLVKDONJSA-N -1 3 376.396 -0.131 20 0 GBADHM CC(=O)NCC(=O)NCC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573520580 946598656 /nfs/dbraw/zinc/59/86/56/946598656.db2.gz LBWUIAQHIMLRDU-NSHDSACASA-N -1 3 376.396 -0.131 20 0 GBADHM CC(=O)NCC(=O)NCC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573520580 946598642 /nfs/dbraw/zinc/59/86/42/946598642.db2.gz LBWUIAQHIMLRDU-NSHDSACASA-N -1 3 376.396 -0.131 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573520586 946599806 /nfs/dbraw/zinc/59/98/06/946599806.db2.gz LFKNHWRYEZYBMZ-AWEZNQCLSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573520586 946599798 /nfs/dbraw/zinc/59/97/98/946599798.db2.gz LFKNHWRYEZYBMZ-AWEZNQCLSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573520587 946597539 /nfs/dbraw/zinc/59/75/39/946597539.db2.gz LFKNHWRYEZYBMZ-CQSZACIVSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC001573520587 946597534 /nfs/dbraw/zinc/59/75/34/946597534.db2.gz LFKNHWRYEZYBMZ-CQSZACIVSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001573520595 946597928 /nfs/dbraw/zinc/59/79/28/946597928.db2.gz LVJMRVBAWBZQHX-GWCFXTLKSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001573520595 946597922 /nfs/dbraw/zinc/59/79/22/946597922.db2.gz LVJMRVBAWBZQHX-GWCFXTLKSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1C ZINC001573520596 946599751 /nfs/dbraw/zinc/59/97/51/946599751.db2.gz LVJMRVBAWBZQHX-GXFFZTMASA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1C ZINC001573520596 946599744 /nfs/dbraw/zinc/59/97/44/946599744.db2.gz LVJMRVBAWBZQHX-GXFFZTMASA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1C ZINC001573520597 946597721 /nfs/dbraw/zinc/59/77/21/946597721.db2.gz LVJMRVBAWBZQHX-MFKMUULPSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1C ZINC001573520597 946597712 /nfs/dbraw/zinc/59/77/12/946597712.db2.gz LVJMRVBAWBZQHX-MFKMUULPSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1C ZINC001573520598 946597428 /nfs/dbraw/zinc/59/74/28/946597428.db2.gz LVJMRVBAWBZQHX-ZWNOBZJWSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1C ZINC001573520598 946597418 /nfs/dbraw/zinc/59/74/18/946597418.db2.gz LVJMRVBAWBZQHX-ZWNOBZJWSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573520617 946601104 /nfs/dbraw/zinc/60/11/04/946601104.db2.gz MKTSPGYMOFVYCY-HAQNSBGRSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573520617 946601100 /nfs/dbraw/zinc/60/11/00/946601100.db2.gz MKTSPGYMOFVYCY-HAQNSBGRSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1C ZINC001573520943 946604534 /nfs/dbraw/zinc/60/45/34/946604534.db2.gz QCZPJTJIKIEJCJ-LDYMZIIASA-N -1 3 378.462 -0.044 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573520954 946604137 /nfs/dbraw/zinc/60/41/37/946604137.db2.gz QDDLGCBNIHOTDE-MFKMUULPSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573520954 946604130 /nfs/dbraw/zinc/60/41/30/946604130.db2.gz QDDLGCBNIHOTDE-MFKMUULPSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NCC[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573520959 946604294 /nfs/dbraw/zinc/60/42/94/946604294.db2.gz QGECTEHPRKVBOW-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NCC[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573520959 946604288 /nfs/dbraw/zinc/60/42/88/946604288.db2.gz QGECTEHPRKVBOW-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573520960 946603889 /nfs/dbraw/zinc/60/38/89/946603889.db2.gz QGECTEHPRKVBOW-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573520960 946603882 /nfs/dbraw/zinc/60/38/82/946603882.db2.gz QGECTEHPRKVBOW-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCCO1 ZINC001573520968 946603950 /nfs/dbraw/zinc/60/39/50/946603950.db2.gz QLEIJTHTIFFBJC-GFCCVEGCSA-N -1 3 391.407 -0.147 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCCO1 ZINC001573520968 946603945 /nfs/dbraw/zinc/60/39/45/946603945.db2.gz QLEIJTHTIFFBJC-GFCCVEGCSA-N -1 3 391.407 -0.147 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCCO1 ZINC001573520969 946602966 /nfs/dbraw/zinc/60/29/66/946602966.db2.gz QLEIJTHTIFFBJC-LBPRGKRZSA-N -1 3 391.407 -0.147 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCCO1 ZINC001573520969 946602963 /nfs/dbraw/zinc/60/29/63/946602963.db2.gz QLEIJTHTIFFBJC-LBPRGKRZSA-N -1 3 391.407 -0.147 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1 ZINC001573521149 946604076 /nfs/dbraw/zinc/60/40/76/946604076.db2.gz SMFGUJUDLKLJOF-LLVKDONJSA-N -1 3 379.446 -0.619 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)CCO1 ZINC001573521150 946603588 /nfs/dbraw/zinc/60/35/88/946603588.db2.gz SMFGUJUDLKLJOF-NSHDSACASA-N -1 3 379.446 -0.619 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001573521164 946603655 /nfs/dbraw/zinc/60/36/55/946603655.db2.gz SSUUWHUYYDPQJU-LLVKDONJSA-N -1 3 377.380 -0.537 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001573521164 946603646 /nfs/dbraw/zinc/60/36/46/946603646.db2.gz SSUUWHUYYDPQJU-LLVKDONJSA-N -1 3 377.380 -0.537 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC001573521166 946604764 /nfs/dbraw/zinc/60/47/64/946604764.db2.gz SSUUWHUYYDPQJU-NSHDSACASA-N -1 3 377.380 -0.537 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC001573521166 946604758 /nfs/dbraw/zinc/60/47/58/946604758.db2.gz SSUUWHUYYDPQJU-NSHDSACASA-N -1 3 377.380 -0.537 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC001573521246 946607297 /nfs/dbraw/zinc/60/72/97/946607297.db2.gz UYFMYDAJBNKZGR-AWEZNQCLSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)CCO1 ZINC001573521246 946607292 /nfs/dbraw/zinc/60/72/92/946607292.db2.gz UYFMYDAJBNKZGR-AWEZNQCLSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(Cc2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC001573521248 946607170 /nfs/dbraw/zinc/60/71/70/946607170.db2.gz UYFMYDAJBNKZGR-CQSZACIVSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(Cc2cc(-c3nnn[n-]3)ccc2F)CCO1 ZINC001573521248 946607164 /nfs/dbraw/zinc/60/71/64/946607164.db2.gz UYFMYDAJBNKZGR-CQSZACIVSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573521278 946605634 /nfs/dbraw/zinc/60/56/34/946605634.db2.gz VITNATDBKSUWAK-MFKMUULPSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573521278 946605631 /nfs/dbraw/zinc/60/56/31/946605631.db2.gz VITNATDBKSUWAK-MFKMUULPSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573521280 946606645 /nfs/dbraw/zinc/60/66/45/946606645.db2.gz VIWRHWLLIHCUKV-LLVKDONJSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573521280 946606639 /nfs/dbraw/zinc/60/66/39/946606639.db2.gz VIWRHWLLIHCUKV-LLVKDONJSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)NCCC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573521447 946605856 /nfs/dbraw/zinc/60/58/56/946605856.db2.gz 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CC(=O)NCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001573521471 946608059 /nfs/dbraw/zinc/60/80/59/946608059.db2.gz XIHCUVIHFYYXKV-ZDUSSCGKSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001573521471 946608049 /nfs/dbraw/zinc/60/80/49/946608049.db2.gz XIHCUVIHFYYXKV-ZDUSSCGKSA-N -1 3 391.407 -0.541 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573521483 946607789 /nfs/dbraw/zinc/60/77/89/946607789.db2.gz XWPHPCFZZUWUSF-LLVKDONJSA-N -1 3 379.446 -0.619 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573521485 946609313 /nfs/dbraw/zinc/60/93/13/946609313.db2.gz XWPHPCFZZUWUSF-NSHDSACASA-N -1 3 379.446 -0.619 20 0 GBADHM CC(=O)NCC(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573521491 946608245 /nfs/dbraw/zinc/60/82/45/946608245.db2.gz YAQLZMUOAUZMBX-GFCCVEGCSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NCC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573521491 946608235 /nfs/dbraw/zinc/60/82/35/946608235.db2.gz YAQLZMUOAUZMBX-GFCCVEGCSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573521493 946608112 /nfs/dbraw/zinc/60/81/12/946608112.db2.gz YAQLZMUOAUZMBX-LBPRGKRZSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573521493 946608100 /nfs/dbraw/zinc/60/81/00/946608100.db2.gz YAQLZMUOAUZMBX-LBPRGKRZSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C ZINC001573521524 946609076 /nfs/dbraw/zinc/60/90/76/946609076.db2.gz YJXKDBAOISKJIJ-CMPLNLGQSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1C ZINC001573521524 946609071 /nfs/dbraw/zinc/60/90/71/946609071.db2.gz YJXKDBAOISKJIJ-CMPLNLGQSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@@H]1C ZINC001573521526 946608303 /nfs/dbraw/zinc/60/83/03/946608303.db2.gz YJXKDBAOISKJIJ-JQWIXIFHSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@@H]1C ZINC001573521526 946608296 /nfs/dbraw/zinc/60/82/96/946608296.db2.gz YJXKDBAOISKJIJ-JQWIXIFHSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C ZINC001573521527 946607895 /nfs/dbraw/zinc/60/78/95/946607895.db2.gz YJXKDBAOISKJIJ-PWSUYJOCSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1C ZINC001573521527 946607887 /nfs/dbraw/zinc/60/78/87/946607887.db2.gz YJXKDBAOISKJIJ-PWSUYJOCSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC[C@H]1C ZINC001573521528 946608161 /nfs/dbraw/zinc/60/81/61/946608161.db2.gz YJXKDBAOISKJIJ-ZYHUDNBSSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC[C@H]1C ZINC001573521528 946608134 /nfs/dbraw/zinc/60/81/34/946608134.db2.gz YJXKDBAOISKJIJ-ZYHUDNBSSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573521542 946608195 /nfs/dbraw/zinc/60/81/95/946608195.db2.gz YTOLHMDMEQKELC-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573521542 946608183 /nfs/dbraw/zinc/60/81/83/946608183.db2.gz YTOLHMDMEQKELC-PWSUYJOCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)NC[C@H]1CN(c2snc(C)c2-c2nnn[n-]2)CCO1 ZINC001573521553 946609394 /nfs/dbraw/zinc/60/93/94/946609394.db2.gz ZCGYCJLOAPXUDW-JTQLQIEISA-N -1 3 380.434 -0.911 20 0 GBADHM CC(=O)NCC(=O)NC[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)CCO1 ZINC001573521556 946608840 /nfs/dbraw/zinc/60/88/40/946608840.db2.gz ZCGYCJLOAPXUDW-SNVBAGLBSA-N -1 3 380.434 -0.911 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573521563 946608657 /nfs/dbraw/zinc/60/86/57/946608657.db2.gz ZDNFWCHTDHGOCK-ZYHUDNBSSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)NCC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573521563 946608649 /nfs/dbraw/zinc/60/86/49/946608649.db2.gz ZDNFWCHTDHGOCK-ZYHUDNBSSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573521726 946611271 /nfs/dbraw/zinc/61/12/71/946611271.db2.gz COILPNYKUNVPCJ-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@H](CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573521726 946611264 /nfs/dbraw/zinc/61/12/64/946611264.db2.gz COILPNYKUNVPCJ-GFCCVEGCSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nnn[n-]1 ZINC001573521746 946610389 /nfs/dbraw/zinc/61/03/89/946610389.db2.gz DRWVOCORWYOGKT-MXWKQRLJSA-N -1 3 376.446 -0.006 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573521795 946614133 /nfs/dbraw/zinc/61/41/33/946614133.db2.gz HIZXUXIXLJMQCI-HAQNSBGRSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573521795 946614126 /nfs/dbraw/zinc/61/41/26/946614126.db2.gz HIZXUXIXLJMQCI-HAQNSBGRSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2Cl)C[C@H]1C ZINC001573521808 946612642 /nfs/dbraw/zinc/61/26/42/946612642.db2.gz HYJMPCNFLSZFAE-PRHODGIISA-N -1 3 378.824 -0.008 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2Cl)C[C@H]1C ZINC001573521808 946612631 /nfs/dbraw/zinc/61/26/31/946612631.db2.gz HYJMPCNFLSZFAE-PRHODGIISA-N -1 3 378.824 -0.008 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573522053 946619823 /nfs/dbraw/zinc/61/98/23/946619823.db2.gz XJJOJBQUTWPPGD-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@@H](C)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573522053 946619818 /nfs/dbraw/zinc/61/98/18/946619818.db2.gz XJJOJBQUTWPPGD-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573522054 946621184 /nfs/dbraw/zinc/62/11/84/946621184.db2.gz XJJOJBQUTWPPGD-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H](C)C1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573522054 946621174 /nfs/dbraw/zinc/62/11/74/946621174.db2.gz XJJOJBQUTWPPGD-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573522080 946621412 /nfs/dbraw/zinc/62/14/12/946621412.db2.gz ZXBSGWNMHZQQKO-AULYBMBSSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573522080 946621407 /nfs/dbraw/zinc/62/14/07/946621407.db2.gz ZXBSGWNMHZQQKO-AULYBMBSSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522083 946619871 /nfs/dbraw/zinc/61/98/71/946619871.db2.gz ABHKTGSAEKDKGR-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522083 946619864 /nfs/dbraw/zinc/61/98/64/946619864.db2.gz ABHKTGSAEKDKGR-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522084 946621437 /nfs/dbraw/zinc/62/14/37/946621437.db2.gz ABHKTGSAEKDKGR-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522084 946621434 /nfs/dbraw/zinc/62/14/34/946621434.db2.gz ABHKTGSAEKDKGR-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573522093 946622194 /nfs/dbraw/zinc/62/21/94/946622194.db2.gz AJFAKBXQTDHOHO-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573522093 946622182 /nfs/dbraw/zinc/62/21/82/946622182.db2.gz AJFAKBXQTDHOHO-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573522094 946623012 /nfs/dbraw/zinc/62/30/12/946623012.db2.gz AJFAKBXQTDHOHO-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573522094 946623009 /nfs/dbraw/zinc/62/30/09/946623009.db2.gz AJFAKBXQTDHOHO-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522106 946623265 /nfs/dbraw/zinc/62/32/65/946623265.db2.gz ATRKFCSERQONEG-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522106 946623261 /nfs/dbraw/zinc/62/32/61/946623261.db2.gz ATRKFCSERQONEG-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522108 946622892 /nfs/dbraw/zinc/62/28/92/946622892.db2.gz ATRKFCSERQONEG-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522108 946622887 /nfs/dbraw/zinc/62/28/87/946622887.db2.gz ATRKFCSERQONEG-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573522122 946622096 /nfs/dbraw/zinc/62/20/96/946622096.db2.gz AXZZCLQNHCBZMN-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573522122 946622084 /nfs/dbraw/zinc/62/20/84/946622084.db2.gz AXZZCLQNHCBZMN-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573522124 946622651 /nfs/dbraw/zinc/62/26/51/946622651.db2.gz AZLDTBKEWKSLTC-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573522124 946622646 /nfs/dbraw/zinc/62/26/46/946622646.db2.gz AZLDTBKEWKSLTC-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573522127 946623327 /nfs/dbraw/zinc/62/33/27/946623327.db2.gz AZLDTBKEWKSLTC-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573522127 946623323 /nfs/dbraw/zinc/62/33/23/946623323.db2.gz AZLDTBKEWKSLTC-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573522151 946623473 /nfs/dbraw/zinc/62/34/73/946623473.db2.gz BISIWLQVZFDWLI-UHFFFAOYSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573522151 946623466 /nfs/dbraw/zinc/62/34/66/946623466.db2.gz BISIWLQVZFDWLI-UHFFFAOYSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573522174 946622317 /nfs/dbraw/zinc/62/23/17/946622317.db2.gz BSERUVQPFSOYPR-UHFFFAOYSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573522174 946622313 /nfs/dbraw/zinc/62/23/13/946622313.db2.gz BSERUVQPFSOYPR-UHFFFAOYSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522203 946622730 /nfs/dbraw/zinc/62/27/30/946622730.db2.gz CBWWJGMLFHPUTI-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522203 946622722 /nfs/dbraw/zinc/62/27/22/946622722.db2.gz CBWWJGMLFHPUTI-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522204 946622329 /nfs/dbraw/zinc/62/23/29/946622329.db2.gz CBWWJGMLFHPUTI-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522204 946622325 /nfs/dbraw/zinc/62/23/25/946622325.db2.gz CBWWJGMLFHPUTI-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522205 946623447 /nfs/dbraw/zinc/62/34/47/946623447.db2.gz CDPWSSLXTPUSCN-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522205 946623443 /nfs/dbraw/zinc/62/34/43/946623443.db2.gz CDPWSSLXTPUSCN-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522206 946622481 /nfs/dbraw/zinc/62/24/81/946622481.db2.gz CDPWSSLXTPUSCN-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522206 946622473 /nfs/dbraw/zinc/62/24/73/946622473.db2.gz CDPWSSLXTPUSCN-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573522233 946622803 /nfs/dbraw/zinc/62/28/03/946622803.db2.gz CMALNNPFYJSCSL-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573522233 946622796 /nfs/dbraw/zinc/62/27/96/946622796.db2.gz CMALNNPFYJSCSL-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573522240 946625362 /nfs/dbraw/zinc/62/53/62/946625362.db2.gz CQCRQNWKSCCGEV-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573522240 946625357 /nfs/dbraw/zinc/62/53/57/946625357.db2.gz CQCRQNWKSCCGEV-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573522242 946625620 /nfs/dbraw/zinc/62/56/20/946625620.db2.gz CQCRQNWKSCCGEV-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573522242 946625615 /nfs/dbraw/zinc/62/56/15/946625615.db2.gz CQCRQNWKSCCGEV-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1snc(C)c1-c1nnn[n-]1 ZINC001573522381 946625889 /nfs/dbraw/zinc/62/58/89/946625889.db2.gz DRWVOCORWYOGKT-VWYCJHECSA-N -1 3 376.446 -0.006 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573522383 946625663 /nfs/dbraw/zinc/62/56/63/946625663.db2.gz DVEKDCBCURCVKZ-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573522383 946625657 /nfs/dbraw/zinc/62/56/57/946625657.db2.gz DVEKDCBCURCVKZ-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573522393 946625051 /nfs/dbraw/zinc/62/50/51/946625051.db2.gz DZDYRQHGYKUUKF-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573522393 946625045 /nfs/dbraw/zinc/62/50/45/946625045.db2.gz DZDYRQHGYKUUKF-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573522394 946624553 /nfs/dbraw/zinc/62/45/53/946624553.db2.gz FBFNYLVTTIPAQO-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573522394 946624549 /nfs/dbraw/zinc/62/45/49/946624549.db2.gz FBFNYLVTTIPAQO-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573522396 946625802 /nfs/dbraw/zinc/62/58/02/946625802.db2.gz FBFNYLVTTIPAQO-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573522396 946625786 /nfs/dbraw/zinc/62/57/86/946625786.db2.gz FBFNYLVTTIPAQO-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573522428 946624582 /nfs/dbraw/zinc/62/45/82/946624582.db2.gz FQPQCJPJDTZHPX-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573522428 946624578 /nfs/dbraw/zinc/62/45/78/946624578.db2.gz FQPQCJPJDTZHPX-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573522429 946625425 /nfs/dbraw/zinc/62/54/25/946625425.db2.gz FQPQCJPJDTZHPX-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573522429 946625422 /nfs/dbraw/zinc/62/54/22/946625422.db2.gz FQPQCJPJDTZHPX-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573522444 946627513 /nfs/dbraw/zinc/62/75/13/946627513.db2.gz FWPRJEYKHYHJHH-CYBMUJFWSA-N -1 3 390.448 -0.345 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573522444 946627505 /nfs/dbraw/zinc/62/75/05/946627505.db2.gz FWPRJEYKHYHJHH-CYBMUJFWSA-N -1 3 390.448 -0.345 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573522446 946628142 /nfs/dbraw/zinc/62/81/42/946628142.db2.gz FWPRJEYKHYHJHH-ZDUSSCGKSA-N -1 3 390.448 -0.345 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573522446 946628130 /nfs/dbraw/zinc/62/81/30/946628130.db2.gz FWPRJEYKHYHJHH-ZDUSSCGKSA-N -1 3 390.448 -0.345 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573522592 946628194 /nfs/dbraw/zinc/62/81/94/946628194.db2.gz HCYUVFUUAUBISY-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573522592 946628187 /nfs/dbraw/zinc/62/81/87/946628187.db2.gz HCYUVFUUAUBISY-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522623 946627199 /nfs/dbraw/zinc/62/71/99/946627199.db2.gz HKIBNSROWRLAPB-NXEZZACHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522623 946627192 /nfs/dbraw/zinc/62/71/92/946627192.db2.gz HKIBNSROWRLAPB-NXEZZACHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522624 946627437 /nfs/dbraw/zinc/62/74/37/946627437.db2.gz HKIBNSROWRLAPB-UWVGGRQHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522624 946627436 /nfs/dbraw/zinc/62/74/36/946627436.db2.gz HKIBNSROWRLAPB-UWVGGRQHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522625 946627409 /nfs/dbraw/zinc/62/74/09/946627409.db2.gz HKIBNSROWRLAPB-VHSXEESVSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522625 946627408 /nfs/dbraw/zinc/62/74/08/946627408.db2.gz HKIBNSROWRLAPB-VHSXEESVSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522627 946627826 /nfs/dbraw/zinc/62/78/26/946627826.db2.gz HKIBNSROWRLAPB-ZJUUUORDSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522627 946627821 /nfs/dbraw/zinc/62/78/21/946627821.db2.gz HKIBNSROWRLAPB-ZJUUUORDSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573522667 946627852 /nfs/dbraw/zinc/62/78/52/946627852.db2.gz IJLUNZJUPNLCMY-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573522667 946627843 /nfs/dbraw/zinc/62/78/43/946627843.db2.gz IJLUNZJUPNLCMY-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573522671 946627929 /nfs/dbraw/zinc/62/79/29/946627929.db2.gz IJLUNZJUPNLCMY-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573522671 946627921 /nfs/dbraw/zinc/62/79/21/946627921.db2.gz IJLUNZJUPNLCMY-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573522699 946627379 /nfs/dbraw/zinc/62/73/79/946627379.db2.gz INDTVMXIUVIEJZ-UHFFFAOYSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573522699 946627374 /nfs/dbraw/zinc/62/73/74/946627374.db2.gz INDTVMXIUVIEJZ-UHFFFAOYSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573522725 946629713 /nfs/dbraw/zinc/62/97/13/946629713.db2.gz IYMDMUQHZPGWJH-UHFFFAOYSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573522725 946629709 /nfs/dbraw/zinc/62/97/09/946629709.db2.gz IYMDMUQHZPGWJH-UHFFFAOYSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001573522761 946629582 /nfs/dbraw/zinc/62/95/82/946629582.db2.gz JVIFUHCIOCKIJD-SJCJKPOMSA-N -1 3 386.416 -0.558 20 0 GBADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001573522761 946629580 /nfs/dbraw/zinc/62/95/80/946629580.db2.gz JVIFUHCIOCKIJD-SJCJKPOMSA-N -1 3 386.416 -0.558 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573522833 946630031 /nfs/dbraw/zinc/63/00/31/946630031.db2.gz KTQFWCZQMOZOGW-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573522833 946630022 /nfs/dbraw/zinc/63/00/22/946630022.db2.gz KTQFWCZQMOZOGW-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573522834 946629898 /nfs/dbraw/zinc/62/98/98/946629898.db2.gz KTQFWCZQMOZOGW-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573522834 946629893 /nfs/dbraw/zinc/62/98/93/946629893.db2.gz KTQFWCZQMOZOGW-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573522838 946630570 /nfs/dbraw/zinc/63/05/70/946630570.db2.gz KVJKXIVFESJMQD-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573522838 946630564 /nfs/dbraw/zinc/63/05/64/946630564.db2.gz KVJKXIVFESJMQD-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001573522864 946631803 /nfs/dbraw/zinc/63/18/03/946631803.db2.gz LRVUKOIWMPHIOT-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM CC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001573522864 946631799 /nfs/dbraw/zinc/63/17/99/946631799.db2.gz LRVUKOIWMPHIOT-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573522881 946631568 /nfs/dbraw/zinc/63/15/68/946631568.db2.gz MEVZTGDRXGLJNN-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573522881 946631564 /nfs/dbraw/zinc/63/15/64/946631564.db2.gz MEVZTGDRXGLJNN-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573522892 946632963 /nfs/dbraw/zinc/63/29/63/946632963.db2.gz MNWBORCCIJXFSM-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573522892 946632955 /nfs/dbraw/zinc/63/29/55/946632955.db2.gz MNWBORCCIJXFSM-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573522893 946632767 /nfs/dbraw/zinc/63/27/67/946632767.db2.gz MOGUOJHQMOVEED-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573522893 946632761 /nfs/dbraw/zinc/63/27/61/946632761.db2.gz MOGUOJHQMOVEED-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573522894 946632544 /nfs/dbraw/zinc/63/25/44/946632544.db2.gz MOGUOJHQMOVEED-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573522894 946632539 /nfs/dbraw/zinc/63/25/39/946632539.db2.gz MOGUOJHQMOVEED-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573522896 946632444 /nfs/dbraw/zinc/63/24/44/946632444.db2.gz MPKPFMMQICHFMS-UHFFFAOYSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573522896 946632438 /nfs/dbraw/zinc/63/24/38/946632438.db2.gz MPKPFMMQICHFMS-UHFFFAOYSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]21 ZINC001573522944 946631663 /nfs/dbraw/zinc/63/16/63/946631663.db2.gz NFRRMLMINHRXHU-IWIIMEHWSA-N -1 3 376.808 -0.398 20 0 GBADHM CC(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]21 ZINC001573522944 946631654 /nfs/dbraw/zinc/63/16/54/946631654.db2.gz NFRRMLMINHRXHU-IWIIMEHWSA-N -1 3 376.808 -0.398 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)CCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573522956 946632906 /nfs/dbraw/zinc/63/29/06/946632906.db2.gz NMMJHYVWNQWXSK-UHFFFAOYSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)CCCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573522956 946632898 /nfs/dbraw/zinc/63/28/98/946632898.db2.gz NMMJHYVWNQWXSK-UHFFFAOYSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573523084 946632643 /nfs/dbraw/zinc/63/26/43/946632643.db2.gz NSOXRMKHCCWSHG-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573523084 946632634 /nfs/dbraw/zinc/63/26/34/946632634.db2.gz NSOXRMKHCCWSHG-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573523085 946631879 /nfs/dbraw/zinc/63/18/79/946631879.db2.gz NSOXRMKHCCWSHG-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573523085 946631870 /nfs/dbraw/zinc/63/18/70/946631870.db2.gz NSOXRMKHCCWSHG-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573523094 946635182 /nfs/dbraw/zinc/63/51/82/946635182.db2.gz NYGUBQCWQHJKGT-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573523094 946635177 /nfs/dbraw/zinc/63/51/77/946635177.db2.gz NYGUBQCWQHJKGT-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573523095 946634389 /nfs/dbraw/zinc/63/43/89/946634389.db2.gz NYGUBQCWQHJKGT-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573523095 946634383 /nfs/dbraw/zinc/63/43/83/946634383.db2.gz NYGUBQCWQHJKGT-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573523123 946635111 /nfs/dbraw/zinc/63/51/11/946635111.db2.gz ORRGLMHMXOFJJI-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573523123 946635105 /nfs/dbraw/zinc/63/51/05/946635105.db2.gz ORRGLMHMXOFJJI-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573523126 946633881 /nfs/dbraw/zinc/63/38/81/946633881.db2.gz ORRGLMHMXOFJJI-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573523126 946633873 /nfs/dbraw/zinc/63/38/73/946633873.db2.gz ORRGLMHMXOFJJI-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573523171 946634872 /nfs/dbraw/zinc/63/48/72/946634872.db2.gz PKKGYTZEYVEVQJ-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573523171 946634866 /nfs/dbraw/zinc/63/48/66/946634866.db2.gz PKKGYTZEYVEVQJ-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573523173 946633924 /nfs/dbraw/zinc/63/39/24/946633924.db2.gz PKKGYTZEYVEVQJ-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573523173 946633917 /nfs/dbraw/zinc/63/39/17/946633917.db2.gz PKKGYTZEYVEVQJ-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573523245 946634892 /nfs/dbraw/zinc/63/48/92/946634892.db2.gz PZDDXCFYUCTTQW-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573523245 946634887 /nfs/dbraw/zinc/63/48/87/946634887.db2.gz PZDDXCFYUCTTQW-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573523432 946634934 /nfs/dbraw/zinc/63/49/34/946634934.db2.gz RFZJCNAZNPENEY-UHFFFAOYSA-N -1 3 390.448 -0.343 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573523432 946634931 /nfs/dbraw/zinc/63/49/31/946634931.db2.gz RFZJCNAZNPENEY-UHFFFAOYSA-N -1 3 390.448 -0.343 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573523443 946636948 /nfs/dbraw/zinc/63/69/48/946636948.db2.gz ROZQTYOQLQRQIP-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573523443 946636938 /nfs/dbraw/zinc/63/69/38/946636938.db2.gz ROZQTYOQLQRQIP-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573523584 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946640720 /nfs/dbraw/zinc/64/07/20/946640720.db2.gz ZDKFYRSBACUQBI-UHFFFAOYSA-N -1 3 390.448 -0.343 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1 ZINC001573523993 946640716 /nfs/dbraw/zinc/64/07/16/946640716.db2.gz ZDKFYRSBACUQBI-UHFFFAOYSA-N -1 3 390.448 -0.343 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573524106 946640799 /nfs/dbraw/zinc/64/07/99/946640799.db2.gz ZSTLMIDBJHHRSP-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573524106 946640792 /nfs/dbraw/zinc/64/07/92/946640792.db2.gz ZSTLMIDBJHHRSP-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573524107 946640831 /nfs/dbraw/zinc/64/08/31/946640831.db2.gz ZSTLMIDBJHHRSP-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573524107 946640823 /nfs/dbraw/zinc/64/08/23/946640823.db2.gz ZSTLMIDBJHHRSP-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573524115 946642087 /nfs/dbraw/zinc/64/20/87/946642087.db2.gz ZZIYEOZNDURZTD-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573524115 946642080 /nfs/dbraw/zinc/64/20/80/946642080.db2.gz ZZIYEOZNDURZTD-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573524116 946641794 /nfs/dbraw/zinc/64/17/94/946641794.db2.gz ZZIYEOZNDURZTD-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573524116 946641788 /nfs/dbraw/zinc/64/17/88/946641788.db2.gz ZZIYEOZNDURZTD-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573527492 946644448 /nfs/dbraw/zinc/64/44/48/946644448.db2.gz ACYJHHQWXILDGY-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573527492 946644443 /nfs/dbraw/zinc/64/44/43/946644443.db2.gz ACYJHHQWXILDGY-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573527493 946644354 /nfs/dbraw/zinc/64/43/54/946644354.db2.gz ACYJHHQWXILDGY-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573527493 946644346 /nfs/dbraw/zinc/64/43/46/946644346.db2.gz ACYJHHQWXILDGY-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573527498 946643322 /nfs/dbraw/zinc/64/33/22/946643322.db2.gz AGUDLAURTJTYOO-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573527498 946643312 /nfs/dbraw/zinc/64/33/12/946643312.db2.gz AGUDLAURTJTYOO-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573527499 946643271 /nfs/dbraw/zinc/64/32/71/946643271.db2.gz AGUDLAURTJTYOO-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573527499 946643267 /nfs/dbraw/zinc/64/32/67/946643267.db2.gz AGUDLAURTJTYOO-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573527504 946643090 /nfs/dbraw/zinc/64/30/90/946643090.db2.gz AIYLTHMJRKXZTJ-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573527504 946643079 /nfs/dbraw/zinc/64/30/79/946643079.db2.gz AIYLTHMJRKXZTJ-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573527528 946644506 /nfs/dbraw/zinc/64/45/06/946644506.db2.gz BPBXIEQRVLPOGK-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573527528 946644498 /nfs/dbraw/zinc/64/44/98/946644498.db2.gz BPBXIEQRVLPOGK-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O ZINC001573527534 946643175 /nfs/dbraw/zinc/64/31/75/946643175.db2.gz BSPIHEHRYBCEOL-CHWSQXEVSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O ZINC001573527534 946643165 /nfs/dbraw/zinc/64/31/65/946643165.db2.gz BSPIHEHRYBCEOL-CHWSQXEVSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573527557 946643541 /nfs/dbraw/zinc/64/35/41/946643541.db2.gz CODFWPWRZUKZAF-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573527557 946643535 /nfs/dbraw/zinc/64/35/35/946643535.db2.gz CODFWPWRZUKZAF-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573527573 946646892 /nfs/dbraw/zinc/64/68/92/946646892.db2.gz DDRFXBZABJDZLW-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573527573 946646886 /nfs/dbraw/zinc/64/68/86/946646886.db2.gz DDRFXBZABJDZLW-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573527574 946646428 /nfs/dbraw/zinc/64/64/28/946646428.db2.gz DDRFXBZABJDZLW-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573527574 946646416 /nfs/dbraw/zinc/64/64/16/946646416.db2.gz DDRFXBZABJDZLW-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001573527581 946646872 /nfs/dbraw/zinc/64/68/72/946646872.db2.gz DJTSRKVNENTJKR-KGLIPLIRSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001573527581 946646861 /nfs/dbraw/zinc/64/68/61/946646861.db2.gz DJTSRKVNENTJKR-KGLIPLIRSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001573527582 946646284 /nfs/dbraw/zinc/64/62/84/946646284.db2.gz DJTSRKVNENTJKR-ZIAGYGMSSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001573527582 946646276 /nfs/dbraw/zinc/64/62/76/946646276.db2.gz DJTSRKVNENTJKR-ZIAGYGMSSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573527583 946645459 /nfs/dbraw/zinc/64/54/59/946645459.db2.gz DKUPJVFNEGBIEP-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573527583 946645448 /nfs/dbraw/zinc/64/54/48/946645448.db2.gz DKUPJVFNEGBIEP-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573527588 946645383 /nfs/dbraw/zinc/64/53/83/946645383.db2.gz DNYMHLSVLCKGII-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573527588 946645379 /nfs/dbraw/zinc/64/53/79/946645379.db2.gz DNYMHLSVLCKGII-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573527589 946646840 /nfs/dbraw/zinc/64/68/40/946646840.db2.gz DNYMHLSVLCKGII-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573527589 946646829 /nfs/dbraw/zinc/64/68/29/946646829.db2.gz DNYMHLSVLCKGII-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573527695 946645857 /nfs/dbraw/zinc/64/58/57/946645857.db2.gz DVFSHJQBGFVHMI-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573527695 946645851 /nfs/dbraw/zinc/64/58/51/946645851.db2.gz DVFSHJQBGFVHMI-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573527696 946646097 /nfs/dbraw/zinc/64/60/97/946646097.db2.gz DVFSHJQBGFVHMI-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573527696 946646090 /nfs/dbraw/zinc/64/60/90/946646090.db2.gz DVFSHJQBGFVHMI-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001573527704 946646945 /nfs/dbraw/zinc/64/69/45/946646945.db2.gz FJLBINIKANPHQB-NHAGDIPZSA-N -1 3 384.444 -0.025 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001573527704 946646938 /nfs/dbraw/zinc/64/69/38/946646938.db2.gz FJLBINIKANPHQB-NHAGDIPZSA-N -1 3 384.444 -0.025 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573527716 946645367 /nfs/dbraw/zinc/64/53/67/946645367.db2.gz FSRVIDGIJZMNIG-GFCCVEGCSA-N -1 3 390.448 -0.379 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573527716 946645363 /nfs/dbraw/zinc/64/53/63/946645363.db2.gz FSRVIDGIJZMNIG-GFCCVEGCSA-N -1 3 390.448 -0.379 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573527717 946646971 /nfs/dbraw/zinc/64/69/71/946646971.db2.gz FSRVIDGIJZMNIG-LBPRGKRZSA-N -1 3 390.448 -0.379 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573527717 946646960 /nfs/dbraw/zinc/64/69/60/946646960.db2.gz FSRVIDGIJZMNIG-LBPRGKRZSA-N -1 3 390.448 -0.379 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573527722 946645683 /nfs/dbraw/zinc/64/56/83/946645683.db2.gz FVTMKZJOUYJENC-LLVKDONJSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573527722 946645674 /nfs/dbraw/zinc/64/56/74/946645674.db2.gz FVTMKZJOUYJENC-LLVKDONJSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573527723 946645927 /nfs/dbraw/zinc/64/59/27/946645927.db2.gz FVTMKZJOUYJENC-NSHDSACASA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573527723 946645921 /nfs/dbraw/zinc/64/59/21/946645921.db2.gz FVTMKZJOUYJENC-NSHDSACASA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573527744 946646235 /nfs/dbraw/zinc/64/62/35/946646235.db2.gz GOUFKJPUNNZKQH-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573527744 946646227 /nfs/dbraw/zinc/64/62/27/946646227.db2.gz GOUFKJPUNNZKQH-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573527758 946648059 /nfs/dbraw/zinc/64/80/59/946648059.db2.gz HEAUISCDVJYXTJ-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573527758 946648052 /nfs/dbraw/zinc/64/80/52/946648052.db2.gz HEAUISCDVJYXTJ-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573527759 946648763 /nfs/dbraw/zinc/64/87/63/946648763.db2.gz HEAUISCDVJYXTJ-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573527759 946648761 /nfs/dbraw/zinc/64/87/61/946648761.db2.gz HEAUISCDVJYXTJ-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573527784 946648976 /nfs/dbraw/zinc/64/89/76/946648976.db2.gz IEHPDXNKEWJUOC-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573527784 946648972 /nfs/dbraw/zinc/64/89/72/946648972.db2.gz IEHPDXNKEWJUOC-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573527785 946648870 /nfs/dbraw/zinc/64/88/70/946648870.db2.gz IEHPDXNKEWJUOC-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573527785 946648862 /nfs/dbraw/zinc/64/88/62/946648862.db2.gz IEHPDXNKEWJUOC-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573527850 946648290 /nfs/dbraw/zinc/64/82/90/946648290.db2.gz JNQLFZWWGNFKFR-UHFFFAOYSA-N -1 3 376.421 -0.407 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCCCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573527850 946648282 /nfs/dbraw/zinc/64/82/82/946648282.db2.gz JNQLFZWWGNFKFR-UHFFFAOYSA-N -1 3 376.421 -0.407 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573527864 946650088 /nfs/dbraw/zinc/65/00/88/946650088.db2.gz KCCYKBPJMKXMMA-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573527864 946650078 /nfs/dbraw/zinc/65/00/78/946650078.db2.gz KCCYKBPJMKXMMA-UHFFFAOYSA-N -1 3 376.421 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001573527883 946650975 /nfs/dbraw/zinc/65/09/75/946650975.db2.gz KUPVQSTXIOXVSE-CHWSQXEVSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001573527883 946650971 /nfs/dbraw/zinc/65/09/71/946650971.db2.gz KUPVQSTXIOXVSE-CHWSQXEVSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001573527884 946651224 /nfs/dbraw/zinc/65/12/24/946651224.db2.gz KUPVQSTXIOXVSE-OLZOCXBDSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001573527884 946651222 /nfs/dbraw/zinc/65/12/22/946651222.db2.gz KUPVQSTXIOXVSE-OLZOCXBDSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573527912 946650800 /nfs/dbraw/zinc/65/08/00/946650800.db2.gz LQBZWAIMDHEOEB-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573527912 946650795 /nfs/dbraw/zinc/65/07/95/946650795.db2.gz LQBZWAIMDHEOEB-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573527913 946650110 /nfs/dbraw/zinc/65/01/10/946650110.db2.gz LQBZWAIMDHEOEB-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573527913 946650104 /nfs/dbraw/zinc/65/01/04/946650104.db2.gz LQBZWAIMDHEOEB-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573527941 946650999 /nfs/dbraw/zinc/65/09/99/946650999.db2.gz MKFZVLCXLRWGNE-GFCCVEGCSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573527941 946650995 /nfs/dbraw/zinc/65/09/95/946650995.db2.gz MKFZVLCXLRWGNE-GFCCVEGCSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573527942 946650889 /nfs/dbraw/zinc/65/08/89/946650889.db2.gz MKFZVLCXLRWGNE-LBPRGKRZSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573527942 946650887 /nfs/dbraw/zinc/65/08/87/946650887.db2.gz MKFZVLCXLRWGNE-LBPRGKRZSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573527956 946652515 /nfs/dbraw/zinc/65/25/15/946652515.db2.gz MZQFIDOILWACSK-GFCCVEGCSA-N -1 3 390.448 -0.379 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573527956 946652509 /nfs/dbraw/zinc/65/25/09/946652509.db2.gz MZQFIDOILWACSK-GFCCVEGCSA-N -1 3 390.448 -0.379 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573527957 946653271 /nfs/dbraw/zinc/65/32/71/946653271.db2.gz MZQFIDOILWACSK-LBPRGKRZSA-N -1 3 390.448 -0.379 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573527957 946653267 /nfs/dbraw/zinc/65/32/67/946653267.db2.gz MZQFIDOILWACSK-LBPRGKRZSA-N -1 3 390.448 -0.379 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573527960 946653557 /nfs/dbraw/zinc/65/35/57/946653557.db2.gz NGLIZJXUFHKBGP-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573527960 946653551 /nfs/dbraw/zinc/65/35/51/946653551.db2.gz NGLIZJXUFHKBGP-GFCCVEGCSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573527961 946653082 /nfs/dbraw/zinc/65/30/82/946653082.db2.gz NGLIZJXUFHKBGP-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573527961 946653078 /nfs/dbraw/zinc/65/30/78/946653078.db2.gz NGLIZJXUFHKBGP-LBPRGKRZSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001573527973 946653224 /nfs/dbraw/zinc/65/32/24/946653224.db2.gz NSDBLOVFMAQFFC-WDNDVIMCSA-N -1 3 384.444 -0.025 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001573527973 946653221 /nfs/dbraw/zinc/65/32/21/946653221.db2.gz NSDBLOVFMAQFFC-WDNDVIMCSA-N -1 3 384.444 -0.025 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001573527974 946653207 /nfs/dbraw/zinc/65/32/07/946653207.db2.gz NWCVWZWGNFLZAB-NHAGDIPZSA-N -1 3 384.444 -0.025 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001573527974 946653202 /nfs/dbraw/zinc/65/32/02/946653202.db2.gz NWCVWZWGNFLZAB-NHAGDIPZSA-N -1 3 384.444 -0.025 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573527975 946652879 /nfs/dbraw/zinc/65/28/79/946652879.db2.gz NWSOPFMWIDOWLU-UHFFFAOYSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573527975 946652874 /nfs/dbraw/zinc/65/28/74/946652874.db2.gz NWSOPFMWIDOWLU-UHFFFAOYSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573528000 946652633 /nfs/dbraw/zinc/65/26/33/946652633.db2.gz OURKRYCOMMWDCT-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573528000 946652629 /nfs/dbraw/zinc/65/26/29/946652629.db2.gz OURKRYCOMMWDCT-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573528001 946652546 /nfs/dbraw/zinc/65/25/46/946652546.db2.gz OURKRYCOMMWDCT-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573528001 946652540 /nfs/dbraw/zinc/65/25/40/946652540.db2.gz OURKRYCOMMWDCT-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573528013 946652978 /nfs/dbraw/zinc/65/29/78/946652978.db2.gz PEZKZJFTMLYZMX-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573528013 946652973 /nfs/dbraw/zinc/65/29/73/946652973.db2.gz PEZKZJFTMLYZMX-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573528014 946653589 /nfs/dbraw/zinc/65/35/89/946653589.db2.gz PEZKZJFTMLYZMX-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573528014 946653585 /nfs/dbraw/zinc/65/35/85/946653585.db2.gz PEZKZJFTMLYZMX-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573528027 946655142 /nfs/dbraw/zinc/65/51/42/946655142.db2.gz PSFYKSOCKFSKIE-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573528027 946655134 /nfs/dbraw/zinc/65/51/34/946655134.db2.gz PSFYKSOCKFSKIE-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573528055 946655531 /nfs/dbraw/zinc/65/55/31/946655531.db2.gz RPOVYYBDYFNYDU-GFCCVEGCSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573528055 946655527 /nfs/dbraw/zinc/65/55/27/946655527.db2.gz RPOVYYBDYFNYDU-GFCCVEGCSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573528056 946655054 /nfs/dbraw/zinc/65/50/54/946655054.db2.gz RPOVYYBDYFNYDU-LBPRGKRZSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573528056 946655044 /nfs/dbraw/zinc/65/50/44/946655044.db2.gz RPOVYYBDYFNYDU-LBPRGKRZSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573528057 946654699 /nfs/dbraw/zinc/65/46/99/946654699.db2.gz RREXHBWDPJDGNL-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573528057 946654688 /nfs/dbraw/zinc/65/46/88/946654688.db2.gz RREXHBWDPJDGNL-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573528118 946657433 /nfs/dbraw/zinc/65/74/33/946657433.db2.gz VDZYZZYFAWYZKS-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573528118 946657426 /nfs/dbraw/zinc/65/74/26/946657426.db2.gz VDZYZZYFAWYZKS-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573528146 946657605 /nfs/dbraw/zinc/65/76/05/946657605.db2.gz WBBPGCYIELRADC-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573528146 946657597 /nfs/dbraw/zinc/65/75/97/946657597.db2.gz WBBPGCYIELRADC-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573528147 946656642 /nfs/dbraw/zinc/65/66/42/946656642.db2.gz WBBPGCYIELRADC-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573528147 946656632 /nfs/dbraw/zinc/65/66/32/946656632.db2.gz WBBPGCYIELRADC-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573528152 946657928 /nfs/dbraw/zinc/65/79/28/946657928.db2.gz WIUSLJGPDKUEPO-HAQNSBGRSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573528152 946657920 /nfs/dbraw/zinc/65/79/20/946657920.db2.gz WIUSLJGPDKUEPO-HAQNSBGRSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573528153 946656417 /nfs/dbraw/zinc/65/64/17/946656417.db2.gz WIUSLJGPDKUEPO-TXEJJXNPSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573528153 946656406 /nfs/dbraw/zinc/65/64/06/946656406.db2.gz WIUSLJGPDKUEPO-TXEJJXNPSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573528156 946657025 /nfs/dbraw/zinc/65/70/25/946657025.db2.gz WNXXBZNRRUCBSX-LLVKDONJSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573528156 946657018 /nfs/dbraw/zinc/65/70/18/946657018.db2.gz WNXXBZNRRUCBSX-LLVKDONJSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573528157 946657851 /nfs/dbraw/zinc/65/78/51/946657851.db2.gz WNXXBZNRRUCBSX-NSHDSACASA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573528157 946657840 /nfs/dbraw/zinc/65/78/40/946657840.db2.gz WNXXBZNRRUCBSX-NSHDSACASA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](CO)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573528165 946657968 /nfs/dbraw/zinc/65/79/68/946657968.db2.gz WSZCMUKQJWVCOP-GFCCVEGCSA-N -1 3 390.448 -0.379 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](CO)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573528165 946657962 /nfs/dbraw/zinc/65/79/62/946657962.db2.gz WSZCMUKQJWVCOP-GFCCVEGCSA-N -1 3 390.448 -0.379 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](CO)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573528166 946657488 /nfs/dbraw/zinc/65/74/88/946657488.db2.gz WSZCMUKQJWVCOP-LBPRGKRZSA-N -1 3 390.448 -0.379 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](CO)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573528166 946657479 /nfs/dbraw/zinc/65/74/79/946657479.db2.gz WSZCMUKQJWVCOP-LBPRGKRZSA-N -1 3 390.448 -0.379 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573528171 946657708 /nfs/dbraw/zinc/65/77/08/946657708.db2.gz WYRUITYNPKHVGC-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573528171 946657695 /nfs/dbraw/zinc/65/76/95/946657695.db2.gz WYRUITYNPKHVGC-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573528183 946657075 /nfs/dbraw/zinc/65/70/75/946657075.db2.gz XPSMHWYHQGYMOU-PHIMTYICSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573528183 946657065 /nfs/dbraw/zinc/65/70/65/946657065.db2.gz XPSMHWYHQGYMOU-PHIMTYICSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573528184 946658743 /nfs/dbraw/zinc/65/87/43/946658743.db2.gz XPSMHWYHQGYMOU-XYPYZODXSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573528184 946658736 /nfs/dbraw/zinc/65/87/36/946658736.db2.gz XPSMHWYHQGYMOU-XYPYZODXSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573528197 946659012 /nfs/dbraw/zinc/65/90/12/946659012.db2.gz YCTRVSXFWKPGQM-HAQNSBGRSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573528197 946659002 /nfs/dbraw/zinc/65/90/02/946659002.db2.gz YCTRVSXFWKPGQM-HAQNSBGRSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573528198 946659110 /nfs/dbraw/zinc/65/91/10/946659110.db2.gz YCTRVSXFWKPGQM-TXEJJXNPSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573528198 946659101 /nfs/dbraw/zinc/65/91/01/946659101.db2.gz YCTRVSXFWKPGQM-TXEJJXNPSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573528242 946659735 /nfs/dbraw/zinc/65/97/35/946659735.db2.gz ZVXJAEQHLLVLHS-GFCCVEGCSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573528242 946659729 /nfs/dbraw/zinc/65/97/29/946659729.db2.gz ZVXJAEQHLLVLHS-GFCCVEGCSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573528243 946658983 /nfs/dbraw/zinc/65/89/83/946658983.db2.gz ZVXJAEQHLLVLHS-LBPRGKRZSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC(C)(C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573528243 946658972 /nfs/dbraw/zinc/65/89/72/946658972.db2.gz ZVXJAEQHLLVLHS-LBPRGKRZSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(=O)NCC[C@H]1CN(c2snc(C)c2-c2nnn[n-]2)CCS1(=O)=O ZINC001573528695 946663594 /nfs/dbraw/zinc/66/35/94/946663594.db2.gz GKLBBXUZRPAUIK-JTQLQIEISA-N -1 3 385.475 -0.239 20 0 GBADHM CC(=O)NCC[C@@H]1CN(c2snc(C)c2-c2nnn[n-]2)CCS1(=O)=O ZINC001573528696 946664790 /nfs/dbraw/zinc/66/47/90/946664790.db2.gz GKLBBXUZRPAUIK-SNVBAGLBSA-N -1 3 385.475 -0.239 20 0 GBADHM CC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573528719 946664277 /nfs/dbraw/zinc/66/42/77/946664277.db2.gz HFSCVQBEKNYBEG-GFCCVEGCSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573528719 946664271 /nfs/dbraw/zinc/66/42/71/946664271.db2.gz HFSCVQBEKNYBEG-GFCCVEGCSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573528720 946664868 /nfs/dbraw/zinc/66/48/68/946664868.db2.gz HFSCVQBEKNYBEG-LBPRGKRZSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573528720 946664862 /nfs/dbraw/zinc/66/48/62/946664862.db2.gz HFSCVQBEKNYBEG-LBPRGKRZSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCS1(=O)=O ZINC001573529098 946671873 /nfs/dbraw/zinc/67/18/73/946671873.db2.gz KEKZHQBWIXSCKY-GFCCVEGCSA-N -1 3 379.446 -0.300 20 0 GBADHM CC(=O)NCC[C@@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCS1(=O)=O ZINC001573529098 946671865 /nfs/dbraw/zinc/67/18/65/946671865.db2.gz KEKZHQBWIXSCKY-GFCCVEGCSA-N -1 3 379.446 -0.300 20 0 GBADHM CC(=O)NCC[C@H]1CN(c2ccc(-c3nn[n-]n3)c(C)n2)CCS1(=O)=O ZINC001573529099 946671758 /nfs/dbraw/zinc/67/17/58/946671758.db2.gz KEKZHQBWIXSCKY-LBPRGKRZSA-N -1 3 379.446 -0.300 20 0 GBADHM CC(=O)NCC[C@H]1CN(c2ccc(-c3nnn[n-]3)c(C)n2)CCS1(=O)=O ZINC001573529099 946671749 /nfs/dbraw/zinc/67/17/49/946671749.db2.gz KEKZHQBWIXSCKY-LBPRGKRZSA-N -1 3 379.446 -0.300 20 0 GBADHM CC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573529138 946671530 /nfs/dbraw/zinc/67/15/30/946671530.db2.gz LJGJLRKJNBMURK-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573529138 946671523 /nfs/dbraw/zinc/67/15/23/946671523.db2.gz LJGJLRKJNBMURK-CYBMUJFWSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573529139 946670878 /nfs/dbraw/zinc/67/08/78/946670878.db2.gz LJGJLRKJNBMURK-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573529139 946670872 /nfs/dbraw/zinc/67/08/72/946670872.db2.gz LJGJLRKJNBMURK-ZDUSSCGKSA-N -1 3 388.432 -0.168 20 0 GBADHM CC(=O)NCC[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CCS1(=O)=O ZINC001573529173 946671159 /nfs/dbraw/zinc/67/11/59/946671159.db2.gz LVWSGHSTCJSHST-GFCCVEGCSA-N -1 3 379.446 -0.300 20 0 GBADHM CC(=O)NCC[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CCS1(=O)=O ZINC001573529173 946671155 /nfs/dbraw/zinc/67/11/55/946671155.db2.gz LVWSGHSTCJSHST-GFCCVEGCSA-N -1 3 379.446 -0.300 20 0 GBADHM CC(=O)NCC[C@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)CCS1(=O)=O ZINC001573529177 946671694 /nfs/dbraw/zinc/67/16/94/946671694.db2.gz LVWSGHSTCJSHST-LBPRGKRZSA-N -1 3 379.446 -0.300 20 0 GBADHM CC(=O)NCC[C@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)CCS1(=O)=O ZINC001573529177 946671689 /nfs/dbraw/zinc/67/16/89/946671689.db2.gz LVWSGHSTCJSHST-LBPRGKRZSA-N -1 3 379.446 -0.300 20 0 GBADHM CC(=O)NCC[C@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCS1(=O)=O ZINC001573529624 946677726 /nfs/dbraw/zinc/67/77/26/946677726.db2.gz PALVEWRENHXJLZ-AWEZNQCLSA-N -1 3 378.458 -0.008 20 0 GBADHM CC(=O)NCC[C@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCS1(=O)=O ZINC001573529624 946677719 /nfs/dbraw/zinc/67/77/19/946677719.db2.gz PALVEWRENHXJLZ-AWEZNQCLSA-N -1 3 378.458 -0.008 20 0 GBADHM CC(=O)NCC[C@@H]1CN(Cc2ccccc2-c2nn[n-]n2)CCS1(=O)=O ZINC001573529626 946678848 /nfs/dbraw/zinc/67/88/48/946678848.db2.gz PALVEWRENHXJLZ-CQSZACIVSA-N -1 3 378.458 -0.008 20 0 GBADHM CC(=O)NCC[C@@H]1CN(Cc2ccccc2-c2nnn[n-]2)CCS1(=O)=O ZINC001573529626 946678845 /nfs/dbraw/zinc/67/88/45/946678845.db2.gz PALVEWRENHXJLZ-CQSZACIVSA-N -1 3 378.458 -0.008 20 0 GBADHM CC(=O)NCCOCCN1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573530237 946690427 /nfs/dbraw/zinc/69/04/27/946690427.db2.gz WUTJOJZYQFTGAZ-UHFFFAOYSA-N -1 3 376.421 -0.896 20 0 GBADHM CC(=O)NCCOCCN1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573530237 946690419 /nfs/dbraw/zinc/69/04/19/946690419.db2.gz WUTJOJZYQFTGAZ-UHFFFAOYSA-N -1 3 376.421 -0.896 20 0 GBADHM CC(=O)NCC[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC001573530256 946690753 /nfs/dbraw/zinc/69/07/53/946690753.db2.gz XGUDMIPSAIEJJE-HNNXBMFYSA-N -1 3 378.458 -0.008 20 0 GBADHM CC(=O)NCC[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC001573530256 946690738 /nfs/dbraw/zinc/69/07/38/946690738.db2.gz XGUDMIPSAIEJJE-HNNXBMFYSA-N -1 3 378.458 -0.008 20 0 GBADHM CC(=O)NCC[C@@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCS1(=O)=O ZINC001573530257 946690301 /nfs/dbraw/zinc/69/03/01/946690301.db2.gz XGUDMIPSAIEJJE-OAHLLOKOSA-N -1 3 378.458 -0.008 20 0 GBADHM CC(=O)NCC[C@@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCS1(=O)=O ZINC001573530257 946690298 /nfs/dbraw/zinc/69/02/98/946690298.db2.gz XGUDMIPSAIEJJE-OAHLLOKOSA-N -1 3 378.458 -0.008 20 0 GBADHM CC(=O)NCC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC001573530376 946694572 /nfs/dbraw/zinc/69/45/72/946694572.db2.gz YNAMYXDFXOFQRC-HNNXBMFYSA-N -1 3 378.458 -0.008 20 0 GBADHM CC(=O)NCC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC001573530376 946694566 /nfs/dbraw/zinc/69/45/66/946694566.db2.gz YNAMYXDFXOFQRC-HNNXBMFYSA-N -1 3 378.458 -0.008 20 0 GBADHM CC(=O)NCC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCS1(=O)=O ZINC001573530378 946695245 /nfs/dbraw/zinc/69/52/45/946695245.db2.gz YNAMYXDFXOFQRC-OAHLLOKOSA-N -1 3 378.458 -0.008 20 0 GBADHM CC(=O)NCC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCS1(=O)=O ZINC001573530378 946695238 /nfs/dbraw/zinc/69/52/38/946695238.db2.gz YNAMYXDFXOFQRC-OAHLLOKOSA-N -1 3 378.458 -0.008 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573535288 946719876 /nfs/dbraw/zinc/71/98/76/946719876.db2.gz AZWSELMEKMMCOE-IUODEOHRSA-N -1 3 390.448 -0.380 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573535288 946719866 /nfs/dbraw/zinc/71/98/66/946719866.db2.gz AZWSELMEKMMCOE-IUODEOHRSA-N -1 3 390.448 -0.380 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573535291 946719651 /nfs/dbraw/zinc/71/96/51/946719651.db2.gz AZWSELMEKMMCOE-SWLSCSKDSA-N -1 3 390.448 -0.380 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573535291 946719643 /nfs/dbraw/zinc/71/96/43/946719643.db2.gz AZWSELMEKMMCOE-SWLSCSKDSA-N -1 3 390.448 -0.380 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573535323 946721266 /nfs/dbraw/zinc/72/12/66/946721266.db2.gz CANXSNBXKKSGOJ-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573535323 946721257 /nfs/dbraw/zinc/72/12/57/946721257.db2.gz CANXSNBXKKSGOJ-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573535325 946722251 /nfs/dbraw/zinc/72/22/51/946722251.db2.gz CANXSNBXKKSGOJ-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573535325 946722243 /nfs/dbraw/zinc/72/22/43/946722243.db2.gz CANXSNBXKKSGOJ-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573535339 946723011 /nfs/dbraw/zinc/72/30/11/946723011.db2.gz CRFCALYQOYNHTQ-IINYFYTJSA-N -1 3 390.448 -0.162 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573535339 946723002 /nfs/dbraw/zinc/72/30/02/946723002.db2.gz CRFCALYQOYNHTQ-IINYFYTJSA-N -1 3 390.448 -0.162 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573535340 946721438 /nfs/dbraw/zinc/72/14/38/946721438.db2.gz CRFCALYQOYNHTQ-QMTHXVAHSA-N -1 3 390.448 -0.162 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573535340 946721428 /nfs/dbraw/zinc/72/14/28/946721428.db2.gz CRFCALYQOYNHTQ-QMTHXVAHSA-N -1 3 390.448 -0.162 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573535422 946721800 /nfs/dbraw/zinc/72/18/00/946721800.db2.gz GCLDETVRSVLLMH-IINYFYTJSA-N -1 3 390.448 -0.162 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573535422 946721789 /nfs/dbraw/zinc/72/17/89/946721789.db2.gz GCLDETVRSVLLMH-IINYFYTJSA-N -1 3 390.448 -0.162 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573535424 946722099 /nfs/dbraw/zinc/72/20/99/946722099.db2.gz GCLDETVRSVLLMH-QMTHXVAHSA-N -1 3 390.448 -0.162 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573535424 946722096 /nfs/dbraw/zinc/72/20/96/946722096.db2.gz GCLDETVRSVLLMH-QMTHXVAHSA-N -1 3 390.448 -0.162 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)C(C)C ZINC001573535433 946722386 /nfs/dbraw/zinc/72/23/86/946722386.db2.gz GNKHDGKAGPBHSJ-CLWVCHIJSA-N -1 3 384.444 -0.027 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)C(C)C ZINC001573535433 946722378 /nfs/dbraw/zinc/72/23/78/946722378.db2.gz GNKHDGKAGPBHSJ-CLWVCHIJSA-N -1 3 384.444 -0.027 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573535434 946725454 /nfs/dbraw/zinc/72/54/54/946725454.db2.gz GPPMXCTWIREBOW-DGCLKSJQSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573535434 946725444 /nfs/dbraw/zinc/72/54/44/946725444.db2.gz GPPMXCTWIREBOW-DGCLKSJQSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573535693 946724917 /nfs/dbraw/zinc/72/49/17/946724917.db2.gz GPPMXCTWIREBOW-WCQYABFASA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573535693 946724901 /nfs/dbraw/zinc/72/49/01/946724901.db2.gz GPPMXCTWIREBOW-WCQYABFASA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C(C)C ZINC001573535727 946724483 /nfs/dbraw/zinc/72/44/83/946724483.db2.gz ICLPAGJPSNAJAY-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C(C)C ZINC001573535727 946724473 /nfs/dbraw/zinc/72/44/73/946724473.db2.gz ICLPAGJPSNAJAY-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573535728 946724600 /nfs/dbraw/zinc/72/46/00/946724600.db2.gz IFFPCYIYJKITKI-DGCLKSJQSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573535728 946724592 /nfs/dbraw/zinc/72/45/92/946724592.db2.gz IFFPCYIYJKITKI-DGCLKSJQSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573535729 946723784 /nfs/dbraw/zinc/72/37/84/946723784.db2.gz IFFPCYIYJKITKI-WCQYABFASA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573535729 946723774 /nfs/dbraw/zinc/72/37/74/946723774.db2.gz IFFPCYIYJKITKI-WCQYABFASA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)C ZINC001573535808 946724552 /nfs/dbraw/zinc/72/45/52/946724552.db2.gz JQAWUEYYIBYTCO-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)C ZINC001573535808 946724547 /nfs/dbraw/zinc/72/45/47/946724547.db2.gz JQAWUEYYIBYTCO-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)C ZINC001573535809 946723814 /nfs/dbraw/zinc/72/38/14/946723814.db2.gz JQAWUEYYIBYTCO-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)C ZINC001573535809 946723804 /nfs/dbraw/zinc/72/38/04/946723804.db2.gz JQAWUEYYIBYTCO-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573535847 946726515 /nfs/dbraw/zinc/72/65/15/946726515.db2.gz KUZBXSAONTZLTJ-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573535847 946726502 /nfs/dbraw/zinc/72/65/02/946726502.db2.gz KUZBXSAONTZLTJ-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573535849 946727003 /nfs/dbraw/zinc/72/70/03/946727003.db2.gz KWECPLNQTLEICX-GXTWGEPZSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573535849 946726991 /nfs/dbraw/zinc/72/69/91/946726991.db2.gz KWECPLNQTLEICX-GXTWGEPZSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573535851 946728302 /nfs/dbraw/zinc/72/83/02/946728302.db2.gz KWECPLNQTLEICX-TZMCWYRMSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573535851 946728296 /nfs/dbraw/zinc/72/82/96/946728296.db2.gz KWECPLNQTLEICX-TZMCWYRMSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)C(C)C ZINC001573535857 946727377 /nfs/dbraw/zinc/72/73/77/946727377.db2.gz KZTGBWJSIMOYMU-HZSPNIEDSA-N -1 3 388.432 -0.912 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)C(C)C ZINC001573535857 946727366 /nfs/dbraw/zinc/72/73/66/946727366.db2.gz KZTGBWJSIMOYMU-HZSPNIEDSA-N -1 3 388.432 -0.912 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)C(C)C ZINC001573535859 946728136 /nfs/dbraw/zinc/72/81/36/946728136.db2.gz KZTGBWJSIMOYMU-MGPQQGTHSA-N -1 3 388.432 -0.912 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)C(C)C ZINC001573535859 946728128 /nfs/dbraw/zinc/72/81/28/946728128.db2.gz KZTGBWJSIMOYMU-MGPQQGTHSA-N -1 3 388.432 -0.912 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573535939 946728322 /nfs/dbraw/zinc/72/83/22/946728322.db2.gz LKJKAYDRQDAXHN-MBNYWOFBSA-N -1 3 388.432 -0.268 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573535939 946728317 /nfs/dbraw/zinc/72/83/17/946728317.db2.gz LKJKAYDRQDAXHN-MBNYWOFBSA-N -1 3 388.432 -0.268 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)C ZINC001573535954 946727170 /nfs/dbraw/zinc/72/71/70/946727170.db2.gz LUFLNZYGEDKEGW-CQSZACIVSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)C ZINC001573535954 946727159 /nfs/dbraw/zinc/72/71/59/946727159.db2.gz LUFLNZYGEDKEGW-CQSZACIVSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573535993 946727095 /nfs/dbraw/zinc/72/70/95/946727095.db2.gz NDAKROHSHZCZMK-CYBMUJFWSA-N -1 3 376.421 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573535993 946727087 /nfs/dbraw/zinc/72/70/87/946727087.db2.gz NDAKROHSHZCZMK-CYBMUJFWSA-N -1 3 376.421 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)C ZINC001573535998 946727667 /nfs/dbraw/zinc/72/76/67/946727667.db2.gz NJWMUXVGOXDURS-MBNYWOFBSA-N -1 3 388.432 -0.268 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)C ZINC001573535998 946727657 /nfs/dbraw/zinc/72/76/57/946727657.db2.gz NJWMUXVGOXDURS-MBNYWOFBSA-N -1 3 388.432 -0.268 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573536009 946730117 /nfs/dbraw/zinc/73/01/17/946730117.db2.gz NVKBNIBZIOGPNZ-GXTWGEPZSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573536009 946730109 /nfs/dbraw/zinc/73/01/09/946730109.db2.gz NVKBNIBZIOGPNZ-GXTWGEPZSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573536010 946729444 /nfs/dbraw/zinc/72/94/44/946729444.db2.gz NVKBNIBZIOGPNZ-TZMCWYRMSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573536010 946729434 /nfs/dbraw/zinc/72/94/34/946729434.db2.gz NVKBNIBZIOGPNZ-TZMCWYRMSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573536020 946730386 /nfs/dbraw/zinc/73/03/86/946730386.db2.gz NZOWALDZVPFIDJ-BXUZGUMPSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573536020 946730378 /nfs/dbraw/zinc/73/03/78/946730378.db2.gz NZOWALDZVPFIDJ-BXUZGUMPSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573536021 946731012 /nfs/dbraw/zinc/73/10/12/946731012.db2.gz NZOWALDZVPFIDJ-SMDDNHRTSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573536021 946731005 /nfs/dbraw/zinc/73/10/05/946731005.db2.gz NZOWALDZVPFIDJ-SMDDNHRTSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)C ZINC001573536038 946730281 /nfs/dbraw/zinc/73/02/81/946730281.db2.gz ONFFYWUOCDQGDY-BXUZGUMPSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)C ZINC001573536038 946730269 /nfs/dbraw/zinc/73/02/69/946730269.db2.gz ONFFYWUOCDQGDY-BXUZGUMPSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)C ZINC001573536039 946729355 /nfs/dbraw/zinc/72/93/55/946729355.db2.gz ONFFYWUOCDQGDY-SMDDNHRTSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)C ZINC001573536039 946729350 /nfs/dbraw/zinc/72/93/50/946729350.db2.gz ONFFYWUOCDQGDY-SMDDNHRTSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573536040 946730500 /nfs/dbraw/zinc/73/05/00/946730500.db2.gz ONZZIZKGQYGMTO-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573536040 946730491 /nfs/dbraw/zinc/73/04/91/946730491.db2.gz ONZZIZKGQYGMTO-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573536041 946729268 /nfs/dbraw/zinc/72/92/68/946729268.db2.gz ONZZIZKGQYGMTO-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573536041 946729259 /nfs/dbraw/zinc/72/92/59/946729259.db2.gz ONZZIZKGQYGMTO-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573536087 946730529 /nfs/dbraw/zinc/73/05/29/946730529.db2.gz OUNQPYUSDPURDV-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573536087 946730521 /nfs/dbraw/zinc/73/05/21/946730521.db2.gz OUNQPYUSDPURDV-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573536089 946729725 /nfs/dbraw/zinc/72/97/25/946729725.db2.gz OUNQPYUSDPURDV-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573536089 946729716 /nfs/dbraw/zinc/72/97/16/946729716.db2.gz OUNQPYUSDPURDV-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)C ZINC001573536095 946729991 /nfs/dbraw/zinc/72/99/91/946729991.db2.gz OWCVPPUYDZYMRK-CQSZACIVSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)C ZINC001573536095 946729983 /nfs/dbraw/zinc/72/99/83/946729983.db2.gz OWCVPPUYDZYMRK-CQSZACIVSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573536100 946731185 /nfs/dbraw/zinc/73/11/85/946731185.db2.gz OXQUSOZWWTVNGU-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573536100 946731177 /nfs/dbraw/zinc/73/11/77/946731177.db2.gz OXQUSOZWWTVNGU-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573536101 946730700 /nfs/dbraw/zinc/73/07/00/946730700.db2.gz OXQUSOZWWTVNGU-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573536101 946730686 /nfs/dbraw/zinc/73/06/86/946730686.db2.gz OXQUSOZWWTVNGU-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573536122 946731133 /nfs/dbraw/zinc/73/11/33/946731133.db2.gz PLLOVFMWBKXVSU-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573536122 946731126 /nfs/dbraw/zinc/73/11/26/946731126.db2.gz PLLOVFMWBKXVSU-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573536124 946730227 /nfs/dbraw/zinc/73/02/27/946730227.db2.gz PLLOVFMWBKXVSU-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573536124 946730216 /nfs/dbraw/zinc/73/02/16/946730216.db2.gz PLLOVFMWBKXVSU-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573536170 946731974 /nfs/dbraw/zinc/73/19/74/946731974.db2.gz QZUWHDLRQJUYJX-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573536170 946731970 /nfs/dbraw/zinc/73/19/70/946731970.db2.gz QZUWHDLRQJUYJX-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573536178 946733290 /nfs/dbraw/zinc/73/32/90/946733290.db2.gz REHNOOURCNRCEG-CQSZACIVSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573536178 946733282 /nfs/dbraw/zinc/73/32/82/946733282.db2.gz REHNOOURCNRCEG-CQSZACIVSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573536179 946733065 /nfs/dbraw/zinc/73/30/65/946733065.db2.gz REPHQTCGOWNEIM-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573536179 946733056 /nfs/dbraw/zinc/73/30/56/946733056.db2.gz REPHQTCGOWNEIM-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573536180 946732585 /nfs/dbraw/zinc/73/25/85/946732585.db2.gz REPHQTCGOWNEIM-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573536180 946732577 /nfs/dbraw/zinc/73/25/77/946732577.db2.gz REPHQTCGOWNEIM-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573536187 946732646 /nfs/dbraw/zinc/73/26/46/946732646.db2.gz ROSWMEKRCXBKEG-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573536187 946732638 /nfs/dbraw/zinc/73/26/38/946732638.db2.gz ROSWMEKRCXBKEG-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573536188 946731893 /nfs/dbraw/zinc/73/18/93/946731893.db2.gz ROSWMEKRCXBKEG-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573536188 946731884 /nfs/dbraw/zinc/73/18/84/946731884.db2.gz ROSWMEKRCXBKEG-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573536200 946733014 /nfs/dbraw/zinc/73/30/14/946733014.db2.gz RZQAHLGIEWNFHK-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573536200 946733004 /nfs/dbraw/zinc/73/30/04/946733004.db2.gz RZQAHLGIEWNFHK-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573536201 946732473 /nfs/dbraw/zinc/73/24/73/946732473.db2.gz RZQAHLGIEWNFHK-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573536201 946732460 /nfs/dbraw/zinc/73/24/60/946732460.db2.gz RZQAHLGIEWNFHK-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573536209 946731936 /nfs/dbraw/zinc/73/19/36/946731936.db2.gz SGPDXGJRWRIYKZ-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573536209 946731930 /nfs/dbraw/zinc/73/19/30/946731930.db2.gz SGPDXGJRWRIYKZ-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573536211 946732109 /nfs/dbraw/zinc/73/21/09/946732109.db2.gz SGPDXGJRWRIYKZ-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573536211 946732103 /nfs/dbraw/zinc/73/21/03/946732103.db2.gz SGPDXGJRWRIYKZ-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)C(C)C ZINC001573536345 946734439 /nfs/dbraw/zinc/73/44/39/946734439.db2.gz TWWJQIYQMBZPKK-UMVBOHGHSA-N -1 3 388.432 -0.912 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)C(C)C ZINC001573536345 946734437 /nfs/dbraw/zinc/73/44/37/946734437.db2.gz TWWJQIYQMBZPKK-UMVBOHGHSA-N -1 3 388.432 -0.912 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)C(C)C ZINC001573536347 946735151 /nfs/dbraw/zinc/73/51/51/946735151.db2.gz TWWJQIYQMBZPKK-VNHYZAJKSA-N -1 3 388.432 -0.912 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)C(C)C ZINC001573536347 946735141 /nfs/dbraw/zinc/73/51/41/946735141.db2.gz TWWJQIYQMBZPKK-VNHYZAJKSA-N -1 3 388.432 -0.912 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536357 946735030 /nfs/dbraw/zinc/73/50/30/946735030.db2.gz UEJYYHITNAWBKH-GXTWGEPZSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536357 946735015 /nfs/dbraw/zinc/73/50/15/946735015.db2.gz UEJYYHITNAWBKH-GXTWGEPZSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)C(C)C ZINC001573536358 946735830 /nfs/dbraw/zinc/73/58/30/946735830.db2.gz UEJYYHITNAWBKH-TZMCWYRMSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)C(C)C ZINC001573536358 946735820 /nfs/dbraw/zinc/73/58/20/946735820.db2.gz UEJYYHITNAWBKH-TZMCWYRMSA-N -1 3 376.421 -0.689 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573536365 946735937 /nfs/dbraw/zinc/73/59/37/946735937.db2.gz UNELPEXLADPZOM-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573536365 946735932 /nfs/dbraw/zinc/73/59/32/946735932.db2.gz UNELPEXLADPZOM-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573536366 946736553 /nfs/dbraw/zinc/73/65/53/946736553.db2.gz UNELPEXLADPZOM-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573536366 946736546 /nfs/dbraw/zinc/73/65/46/946736546.db2.gz UNELPEXLADPZOM-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573536369 946736519 /nfs/dbraw/zinc/73/65/19/946736519.db2.gz UQVQNSANTPKOOQ-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573536369 946736511 /nfs/dbraw/zinc/73/65/11/946736511.db2.gz UQVQNSANTPKOOQ-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C(C)C ZINC001573536376 946734722 /nfs/dbraw/zinc/73/47/22/946734722.db2.gz UXWOCFNCOALSJY-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C(C)C ZINC001573536376 946734713 /nfs/dbraw/zinc/73/47/13/946734713.db2.gz UXWOCFNCOALSJY-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573536398 946734463 /nfs/dbraw/zinc/73/44/63/946734463.db2.gz WDHCIABCMAMEIQ-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573536398 946734461 /nfs/dbraw/zinc/73/44/61/946734461.db2.gz WDHCIABCMAMEIQ-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573536399 946735313 /nfs/dbraw/zinc/73/53/13/946735313.db2.gz WDHCIABCMAMEIQ-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573536399 946735299 /nfs/dbraw/zinc/73/52/99/946735299.db2.gz WDHCIABCMAMEIQ-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)C ZINC001573536415 946735657 /nfs/dbraw/zinc/73/56/57/946735657.db2.gz WQIXPQRSSJXFKF-JTNHKYCSSA-N -1 3 388.432 -0.268 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)C ZINC001573536415 946735646 /nfs/dbraw/zinc/73/56/46/946735646.db2.gz WQIXPQRSSJXFKF-JTNHKYCSSA-N -1 3 388.432 -0.268 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)C ZINC001573536416 946736439 /nfs/dbraw/zinc/73/64/39/946736439.db2.gz WQIXPQRSSJXFKF-UHIISALHSA-N -1 3 388.432 -0.268 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)C ZINC001573536416 946736423 /nfs/dbraw/zinc/73/64/23/946736423.db2.gz WQIXPQRSSJXFKF-UHIISALHSA-N -1 3 388.432 -0.268 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573536542 946738773 /nfs/dbraw/zinc/73/87/73/946738773.db2.gz XKYBZVPQGLOLDY-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573536542 946738766 /nfs/dbraw/zinc/73/87/66/946738766.db2.gz XKYBZVPQGLOLDY-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)C(C)C ZINC001573536574 946738634 /nfs/dbraw/zinc/73/86/34/946738634.db2.gz XZJHLNAYIMJJBE-BARDWOONSA-N -1 3 384.444 -0.027 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)C(C)C ZINC001573536574 946738628 /nfs/dbraw/zinc/73/86/28/946738628.db2.gz XZJHLNAYIMJJBE-BARDWOONSA-N -1 3 384.444 -0.027 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573536576 946738693 /nfs/dbraw/zinc/73/86/93/946738693.db2.gz XZUSRSMSQGUXEQ-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573536576 946738684 /nfs/dbraw/zinc/73/86/84/946738684.db2.gz XZUSRSMSQGUXEQ-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573536577 946737112 /nfs/dbraw/zinc/73/71/12/946737112.db2.gz XZUSRSMSQGUXEQ-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573536577 946737107 /nfs/dbraw/zinc/73/71/07/946737107.db2.gz XZUSRSMSQGUXEQ-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](O)CNc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573536593 946738029 /nfs/dbraw/zinc/73/80/29/946738029.db2.gz YHRPXVVTMPPWJR-GXTWGEPZSA-N -1 3 390.448 -0.380 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](O)CNc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573536593 946738014 /nfs/dbraw/zinc/73/80/14/946738014.db2.gz YHRPXVVTMPPWJR-GXTWGEPZSA-N -1 3 390.448 -0.380 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](O)CNc1nc(C)ccc1-c1nn[n-]n1)C(C)C ZINC001573536594 946738583 /nfs/dbraw/zinc/73/85/83/946738583.db2.gz YHRPXVVTMPPWJR-TZMCWYRMSA-N -1 3 390.448 -0.380 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](O)CNc1nc(C)ccc1-c1nnn[n-]1)C(C)C ZINC001573536594 946738581 /nfs/dbraw/zinc/73/85/81/946738581.db2.gz YHRPXVVTMPPWJR-TZMCWYRMSA-N -1 3 390.448 -0.380 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573536613 946737219 /nfs/dbraw/zinc/73/72/19/946737219.db2.gz ZIQHLLUVVRDEMA-CQSZACIVSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573536613 946737215 /nfs/dbraw/zinc/73/72/15/946737215.db2.gz ZIQHLLUVVRDEMA-CQSZACIVSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573536629 946737308 /nfs/dbraw/zinc/73/73/08/946737308.db2.gz ZRRSLZHRPRQWAP-IUODEOHRSA-N -1 3 390.448 -0.380 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573536629 946737303 /nfs/dbraw/zinc/73/73/03/946737303.db2.gz ZRRSLZHRPRQWAP-IUODEOHRSA-N -1 3 390.448 -0.380 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)c(C)n1)C(C)C ZINC001573536630 946737042 /nfs/dbraw/zinc/73/70/42/946737042.db2.gz ZRRSLZHRPRQWAP-SWLSCSKDSA-N -1 3 390.448 -0.380 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c(C)n1)C(C)C ZINC001573536630 946737036 /nfs/dbraw/zinc/73/70/36/946737036.db2.gz ZRRSLZHRPRQWAP-SWLSCSKDSA-N -1 3 390.448 -0.380 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)C ZINC001573536672 946739704 /nfs/dbraw/zinc/73/97/04/946739704.db2.gz AHQRDFUHMVZVTD-CQSZACIVSA-N -1 3 388.432 -0.362 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)C ZINC001573536672 946739701 /nfs/dbraw/zinc/73/97/01/946739701.db2.gz AHQRDFUHMVZVTD-CQSZACIVSA-N -1 3 388.432 -0.362 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573536820 946742250 /nfs/dbraw/zinc/74/22/50/946742250.db2.gz FKUYADPJVHZECK-CQSZACIVSA-N -1 3 388.432 -0.362 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573536820 946742242 /nfs/dbraw/zinc/74/22/42/946742242.db2.gz FKUYADPJVHZECK-CQSZACIVSA-N -1 3 388.432 -0.362 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573536830 946742938 /nfs/dbraw/zinc/74/29/38/946742938.db2.gz FLHSYNVJSNIMIH-BXUZGUMPSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573536830 946742928 /nfs/dbraw/zinc/74/29/28/946742928.db2.gz FLHSYNVJSNIMIH-BXUZGUMPSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573536831 946743034 /nfs/dbraw/zinc/74/30/34/946743034.db2.gz FLHSYNVJSNIMIH-SMDDNHRTSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573536831 946743023 /nfs/dbraw/zinc/74/30/23/946743023.db2.gz FLHSYNVJSNIMIH-SMDDNHRTSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573537063 946741922 /nfs/dbraw/zinc/74/19/22/946741922.db2.gz FZISTBSMDZBDLW-CQSZACIVSA-N -1 3 390.448 -0.345 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573537063 946741914 /nfs/dbraw/zinc/74/19/14/946741914.db2.gz FZISTBSMDZBDLW-CQSZACIVSA-N -1 3 390.448 -0.345 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)C ZINC001573537067 946742479 /nfs/dbraw/zinc/74/24/79/946742479.db2.gz GDTSJZIGFSTAPF-CQSZACIVSA-N -1 3 388.432 -0.362 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)C ZINC001573537067 946742475 /nfs/dbraw/zinc/74/24/75/946742475.db2.gz GDTSJZIGFSTAPF-CQSZACIVSA-N -1 3 388.432 -0.362 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573537070 946743272 /nfs/dbraw/zinc/74/32/72/946743272.db2.gz GFYLUZMRWIOTCQ-CQSZACIVSA-N -1 3 390.448 -0.114 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573537070 946743262 /nfs/dbraw/zinc/74/32/62/946743262.db2.gz GFYLUZMRWIOTCQ-CQSZACIVSA-N -1 3 390.448 -0.114 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)C ZINC001573537078 946741889 /nfs/dbraw/zinc/74/18/89/946741889.db2.gz GODWDNNLSUEMCA-BXUZGUMPSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)C ZINC001573537078 946741886 /nfs/dbraw/zinc/74/18/86/946741886.db2.gz GODWDNNLSUEMCA-BXUZGUMPSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)C ZINC001573537079 946742208 /nfs/dbraw/zinc/74/22/08/946742208.db2.gz GODWDNNLSUEMCA-SMDDNHRTSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)C ZINC001573537079 946742203 /nfs/dbraw/zinc/74/22/03/946742203.db2.gz GODWDNNLSUEMCA-SMDDNHRTSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573537102 946742540 /nfs/dbraw/zinc/74/25/40/946742540.db2.gz HJWACHVKZTZWFZ-OAHLLOKOSA-N -1 3 390.448 -0.345 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573537102 946742536 /nfs/dbraw/zinc/74/25/36/946742536.db2.gz HJWACHVKZTZWFZ-OAHLLOKOSA-N -1 3 390.448 -0.345 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573537132 946744171 /nfs/dbraw/zinc/74/41/71/946744171.db2.gz IMQLDZFYQHNDBY-CYBMUJFWSA-N -1 3 376.421 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573537132 946744159 /nfs/dbraw/zinc/74/41/59/946744159.db2.gz IMQLDZFYQHNDBY-CYBMUJFWSA-N -1 3 376.421 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)C ZINC001573537322 946745045 /nfs/dbraw/zinc/74/50/45/946745045.db2.gz JPTVOFSZKZHOMH-CQSZACIVSA-N -1 3 388.432 -0.362 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)C ZINC001573537322 946745037 /nfs/dbraw/zinc/74/50/37/946745037.db2.gz JPTVOFSZKZHOMH-CQSZACIVSA-N -1 3 388.432 -0.362 20 0 GBADHM CC(=O)NCc1cn([C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001573537323 946745487 /nfs/dbraw/zinc/74/54/87/946745487.db2.gz JSEXQIONLLAJLR-CYBMUJFWSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)NCc1cn([C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001573537323 946745482 /nfs/dbraw/zinc/74/54/82/946745482.db2.gz JSEXQIONLLAJLR-CYBMUJFWSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)NCc1cn([C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001573537324 946744250 /nfs/dbraw/zinc/74/42/50/946744250.db2.gz JSEXQIONLLAJLR-ZDUSSCGKSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)NCc1cn([C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001573537324 946744247 /nfs/dbraw/zinc/74/42/47/946744247.db2.gz JSEXQIONLLAJLR-ZDUSSCGKSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573537342 946744408 /nfs/dbraw/zinc/74/44/08/946744408.db2.gz KNNSQKYQTBANEL-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573537342 946744403 /nfs/dbraw/zinc/74/44/03/946744403.db2.gz KNNSQKYQTBANEL-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573537343 946744322 /nfs/dbraw/zinc/74/43/22/946744322.db2.gz KNNSQKYQTBANEL-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573537343 946744317 /nfs/dbraw/zinc/74/43/17/946744317.db2.gz KNNSQKYQTBANEL-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573537355 946745727 /nfs/dbraw/zinc/74/57/27/946745727.db2.gz KUZBXSAONTZLTJ-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573537355 946745719 /nfs/dbraw/zinc/74/57/19/946745719.db2.gz KUZBXSAONTZLTJ-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)C(C)C ZINC001573537359 946746732 /nfs/dbraw/zinc/74/67/32/946746732.db2.gz KZGTVGGCNWJALK-CQSZACIVSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)C(C)C ZINC001573537359 946746726 /nfs/dbraw/zinc/74/67/26/946746726.db2.gz KZGTVGGCNWJALK-CQSZACIVSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573537367 946747233 /nfs/dbraw/zinc/74/72/33/946747233.db2.gz LFHNCEMWNDIYLL-CQSZACIVSA-N -1 3 388.432 -0.362 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573537367 946747227 /nfs/dbraw/zinc/74/72/27/946747227.db2.gz LFHNCEMWNDIYLL-CQSZACIVSA-N -1 3 388.432 -0.362 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573537370 946748155 /nfs/dbraw/zinc/74/81/55/946748155.db2.gz LKCXZLZIGSICMS-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573537370 946748148 /nfs/dbraw/zinc/74/81/48/946748148.db2.gz LKCXZLZIGSICMS-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573537371 946746606 /nfs/dbraw/zinc/74/66/06/946746606.db2.gz LKCXZLZIGSICMS-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573537371 946746601 /nfs/dbraw/zinc/74/66/01/946746601.db2.gz LKCXZLZIGSICMS-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C(C)C ZINC001573537385 946746942 /nfs/dbraw/zinc/74/69/42/946746942.db2.gz MOVKYWAJMZLOMA-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C(C)C ZINC001573537385 946746936 /nfs/dbraw/zinc/74/69/36/946746936.db2.gz MOVKYWAJMZLOMA-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nn[n-]n1)C(N)=O ZINC001573537428 946746593 /nfs/dbraw/zinc/74/65/93/946746593.db2.gz ALERPRBTMROFLK-PELKAZGASA-N -1 3 392.395 -0.698 20 0 GBADHM CC(=O)N[C@@H](CC(=O)NC[C@@H](C)Nc1cccc(F)c1-c1nnn[n-]1)C(N)=O ZINC001573537428 946746586 /nfs/dbraw/zinc/74/65/86/946746586.db2.gz ALERPRBTMROFLK-PELKAZGASA-N -1 3 392.395 -0.698 20 0 GBADHM CC(=O)N[C@@H](CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nn[n-]n1)C(N)=O ZINC001573537429 946747644 /nfs/dbraw/zinc/74/76/44/946747644.db2.gz ALERPRBTMROFLK-UFBFGSQYSA-N -1 3 392.395 -0.698 20 0 GBADHM CC(=O)N[C@@H](CC(=O)NC[C@H](C)Nc1cccc(F)c1-c1nnn[n-]1)C(N)=O ZINC001573537429 946747633 /nfs/dbraw/zinc/74/76/33/946747633.db2.gz ALERPRBTMROFLK-UFBFGSQYSA-N -1 3 392.395 -0.698 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573537447 946749063 /nfs/dbraw/zinc/74/90/63/946749063.db2.gz BGLGHOCUICALRZ-AWEZNQCLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573537447 946749051 /nfs/dbraw/zinc/74/90/51/946749051.db2.gz BGLGHOCUICALRZ-AWEZNQCLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573537463 946749152 /nfs/dbraw/zinc/74/91/52/946749152.db2.gz CADLWHDWEOOCSI-KBPBESRZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573537463 946749144 /nfs/dbraw/zinc/74/91/44/946749144.db2.gz CADLWHDWEOOCSI-KBPBESRZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573537464 946749566 /nfs/dbraw/zinc/74/95/66/946749566.db2.gz CADLWHDWEOOCSI-KGLIPLIRSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573537464 946749558 /nfs/dbraw/zinc/74/95/58/946749558.db2.gz CADLWHDWEOOCSI-KGLIPLIRSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573537467 946749547 /nfs/dbraw/zinc/74/95/47/946749547.db2.gz CGDMXCKELYUUSW-JSGCOSHPSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573537467 946749538 /nfs/dbraw/zinc/74/95/38/946749538.db2.gz CGDMXCKELYUUSW-JSGCOSHPSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573537468 946749710 /nfs/dbraw/zinc/74/97/10/946749710.db2.gz CGDMXCKELYUUSW-OCCSQVGLSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573537468 946749702 /nfs/dbraw/zinc/74/97/02/946749702.db2.gz CGDMXCKELYUUSW-OCCSQVGLSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)NCc1cn([C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001573537544 946752015 /nfs/dbraw/zinc/75/20/15/946752015.db2.gz OBXWUCPAZFULNJ-CYBMUJFWSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)NCc1cn([C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001573537544 946752003 /nfs/dbraw/zinc/75/20/03/946752003.db2.gz OBXWUCPAZFULNJ-CYBMUJFWSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)NCc1cn([C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001573537545 946752477 /nfs/dbraw/zinc/75/24/77/946752477.db2.gz OBXWUCPAZFULNJ-ZDUSSCGKSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)NCc1cn([C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001573537545 946752470 /nfs/dbraw/zinc/75/24/70/946752470.db2.gz OBXWUCPAZFULNJ-ZDUSSCGKSA-N -1 3 384.404 -0.100 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573537574 946751700 /nfs/dbraw/zinc/75/17/00/946751700.db2.gz PGNCTHAJMIQVME-CQSZACIVSA-N -1 3 390.448 -0.114 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573537574 946751694 /nfs/dbraw/zinc/75/16/94/946751694.db2.gz PGNCTHAJMIQVME-CQSZACIVSA-N -1 3 390.448 -0.114 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573537600 946752742 /nfs/dbraw/zinc/75/27/42/946752742.db2.gz GIYFXFNPLNTWQD-AWEZNQCLSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573537600 946752739 /nfs/dbraw/zinc/75/27/39/946752739.db2.gz GIYFXFNPLNTWQD-AWEZNQCLSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573537633 946754567 /nfs/dbraw/zinc/75/45/67/946754567.db2.gz HVVXAFOJXWPUGQ-ZDUSSCGKSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573537633 946754561 /nfs/dbraw/zinc/75/45/61/946754561.db2.gz HVVXAFOJXWPUGQ-ZDUSSCGKSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)C ZINC001573537645 946754255 /nfs/dbraw/zinc/75/42/55/946754255.db2.gz QBHSUJGIQKZXMI-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)C ZINC001573537645 946754252 /nfs/dbraw/zinc/75/42/52/946754252.db2.gz QBHSUJGIQKZXMI-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)C ZINC001573537649 946756369 /nfs/dbraw/zinc/75/63/69/946756369.db2.gz QBHSUJGIQKZXMI-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)C ZINC001573537649 946756362 /nfs/dbraw/zinc/75/63/62/946756362.db2.gz QBHSUJGIQKZXMI-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573537662 946755712 /nfs/dbraw/zinc/75/57/12/946755712.db2.gz QISGOFLMRXMSMR-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573537662 946755695 /nfs/dbraw/zinc/75/56/95/946755695.db2.gz QISGOFLMRXMSMR-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573537667 946755166 /nfs/dbraw/zinc/75/51/66/946755166.db2.gz QISGOFLMRXMSMR-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573537667 946755154 /nfs/dbraw/zinc/75/51/54/946755154.db2.gz QISGOFLMRXMSMR-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573537677 946755455 /nfs/dbraw/zinc/75/54/55/946755455.db2.gz JAKAXVCBHJSLEA-HIFRSBDPSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573537677 946755442 /nfs/dbraw/zinc/75/54/42/946755442.db2.gz JAKAXVCBHJSLEA-HIFRSBDPSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573537678 946754620 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/nfs/dbraw/zinc/75/62/81/946756281.db2.gz QSDCRLXNVGJJQC-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573537683 946755327 /nfs/dbraw/zinc/75/53/27/946755327.db2.gz JBRYAOPSGVJOFZ-ZDUSSCGKSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573537683 946755317 /nfs/dbraw/zinc/75/53/17/946755317.db2.gz JBRYAOPSGVJOFZ-ZDUSSCGKSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](CC(=O)N(C)CCNc1cccc(F)c1-c1nn[n-]n1)C(N)=O ZINC001573537697 946758913 /nfs/dbraw/zinc/75/89/13/946758913.db2.gz JVUFRCJFCRCPBG-LBPRGKRZSA-N -1 3 392.395 -0.744 20 0 GBADHM CC(=O)N[C@@H](CC(=O)N(C)CCNc1cccc(F)c1-c1nnn[n-]1)C(N)=O ZINC001573537697 946758900 /nfs/dbraw/zinc/75/89/00/946758900.db2.gz JVUFRCJFCRCPBG-LBPRGKRZSA-N -1 3 392.395 -0.744 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573537712 946756864 /nfs/dbraw/zinc/75/68/64/946756864.db2.gz 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KNFLIWJKGWIXJD-YGRLFVJLSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573537828 946756933 /nfs/dbraw/zinc/75/69/33/946756933.db2.gz LCGXRZJRVVLDBY-HZMBPMFUSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573537828 946756924 /nfs/dbraw/zinc/75/69/24/946756924.db2.gz LCGXRZJRVVLDBY-HZMBPMFUSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573537829 946758095 /nfs/dbraw/zinc/75/80/95/946758095.db2.gz LCGXRZJRVVLDBY-YGRLFVJLSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573537829 946758088 /nfs/dbraw/zinc/75/80/88/946758088.db2.gz LCGXRZJRVVLDBY-YGRLFVJLSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)C ZINC001573537854 946758076 /nfs/dbraw/zinc/75/80/76/946758076.db2.gz RJWWZORFMSHURO-CQSZACIVSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)C ZINC001573537854 946758071 /nfs/dbraw/zinc/75/80/71/946758071.db2.gz RJWWZORFMSHURO-CQSZACIVSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)C(C)C ZINC001573537894 946759497 /nfs/dbraw/zinc/75/94/97/946759497.db2.gz RLOMLQCGGYAMDZ-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)C(C)C ZINC001573537894 946759493 /nfs/dbraw/zinc/75/94/93/946759493.db2.gz RLOMLQCGGYAMDZ-CYBMUJFWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573537903 946761186 /nfs/dbraw/zinc/76/11/86/946761186.db2.gz MSGPRVNQTGFHSK-HZMBPMFUSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573537903 946761184 /nfs/dbraw/zinc/76/11/84/946761184.db2.gz MSGPRVNQTGFHSK-HZMBPMFUSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573537904 946760947 /nfs/dbraw/zinc/76/09/47/946760947.db2.gz MSGPRVNQTGFHSK-YGRLFVJLSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573537904 946760941 /nfs/dbraw/zinc/76/09/41/946760941.db2.gz MSGPRVNQTGFHSK-YGRLFVJLSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573537908 946759605 /nfs/dbraw/zinc/75/96/05/946759605.db2.gz RQDMFYRDDJBYIM-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573537908 946759601 /nfs/dbraw/zinc/75/96/01/946759601.db2.gz RQDMFYRDDJBYIM-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573537909 946759523 /nfs/dbraw/zinc/75/95/23/946759523.db2.gz RQDMFYRDDJBYIM-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573537909 946759520 /nfs/dbraw/zinc/75/95/20/946759520.db2.gz RQDMFYRDDJBYIM-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573537912 946760769 /nfs/dbraw/zinc/76/07/69/946760769.db2.gz MUMRCOQQYXSQSM-AWEZNQCLSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573537912 946760761 /nfs/dbraw/zinc/76/07/61/946760761.db2.gz MUMRCOQQYXSQSM-AWEZNQCLSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573537914 946759888 /nfs/dbraw/zinc/75/98/88/946759888.db2.gz MXKQQKRODNBDIH-JSGCOSHPSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573537914 946759877 /nfs/dbraw/zinc/75/98/77/946759877.db2.gz MXKQQKRODNBDIH-JSGCOSHPSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573537915 946760618 /nfs/dbraw/zinc/76/06/18/946760618.db2.gz MXKQQKRODNBDIH-OCCSQVGLSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573537915 946760613 /nfs/dbraw/zinc/76/06/13/946760613.db2.gz MXKQQKRODNBDIH-OCCSQVGLSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573537924 946761221 /nfs/dbraw/zinc/76/12/21/946761221.db2.gz RTRFXPBOXJEXFU-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573537924 946761210 /nfs/dbraw/zinc/76/12/10/946761210.db2.gz RTRFXPBOXJEXFU-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)C ZINC001573537926 946760492 /nfs/dbraw/zinc/76/04/92/946760492.db2.gz RTRFXPBOXJEXFU-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)C ZINC001573537926 946760481 /nfs/dbraw/zinc/76/04/81/946760481.db2.gz RTRFXPBOXJEXFU-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573537936 946760242 /nfs/dbraw/zinc/76/02/42/946760242.db2.gz NJZZJEHRRXSSSI-HIFRSBDPSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573537936 946760234 /nfs/dbraw/zinc/76/02/34/946760234.db2.gz NJZZJEHRRXSSSI-HIFRSBDPSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573537938 946760978 /nfs/dbraw/zinc/76/09/78/946760978.db2.gz NJZZJEHRRXSSSI-ZFWWWQNUSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573537938 946760968 /nfs/dbraw/zinc/76/09/68/946760968.db2.gz NJZZJEHRRXSSSI-ZFWWWQNUSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1)C(N)=O ZINC001573537992 946760104 /nfs/dbraw/zinc/76/01/04/946760104.db2.gz OESFADQQMVNVPT-KBPBESRZSA-N -1 3 387.400 -0.853 20 0 GBADHM CC(=O)N[C@@H](CC(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1)C(N)=O ZINC001573537992 946760092 /nfs/dbraw/zinc/76/00/92/946760092.db2.gz OESFADQQMVNVPT-KBPBESRZSA-N -1 3 387.400 -0.853 20 0 GBADHM CC(=O)N[C@@H](CC(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1)C(N)=O ZINC001573537998 946760540 /nfs/dbraw/zinc/76/05/40/946760540.db2.gz OESFADQQMVNVPT-UONOGXRCSA-N -1 3 387.400 -0.853 20 0 GBADHM CC(=O)N[C@@H](CC(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1)C(N)=O ZINC001573537998 946760535 /nfs/dbraw/zinc/76/05/35/946760535.db2.gz OESFADQQMVNVPT-UONOGXRCSA-N -1 3 387.400 -0.853 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)C ZINC001573538029 946762647 /nfs/dbraw/zinc/76/26/47/946762647.db2.gz TXVAAJVDCKHLOA-CQSZACIVSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)C ZINC001573538029 946762639 /nfs/dbraw/zinc/76/26/39/946762639.db2.gz TXVAAJVDCKHLOA-CQSZACIVSA-N -1 3 388.432 -0.456 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573538043 946763152 /nfs/dbraw/zinc/76/31/52/946763152.db2.gz UQVQNSANTPKOOQ-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573538043 946763146 /nfs/dbraw/zinc/76/31/46/946763146.db2.gz UQVQNSANTPKOOQ-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573538047 946763105 /nfs/dbraw/zinc/76/31/05/946763105.db2.gz USAPRISPZUNJEZ-GXTWGEPZSA-N -1 3 390.448 -0.346 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573538047 946763097 /nfs/dbraw/zinc/76/30/97/946763097.db2.gz USAPRISPZUNJEZ-GXTWGEPZSA-N -1 3 390.448 -0.346 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nn[n-]n1)C(C)C ZINC001573538048 946763695 /nfs/dbraw/zinc/76/36/95/946763695.db2.gz USAPRISPZUNJEZ-TZMCWYRMSA-N -1 3 390.448 -0.346 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1ncccc1-c1nnn[n-]1)C(C)C ZINC001573538048 946763687 /nfs/dbraw/zinc/76/36/87/946763687.db2.gz USAPRISPZUNJEZ-TZMCWYRMSA-N -1 3 390.448 -0.346 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573538070 946763669 /nfs/dbraw/zinc/76/36/69/946763669.db2.gz VVHSUWJASHDSMU-DZGCQCFKSA-N -1 3 390.448 -0.346 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573538070 946763656 /nfs/dbraw/zinc/76/36/56/946763656.db2.gz VVHSUWJASHDSMU-DZGCQCFKSA-N -1 3 390.448 -0.346 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)C(C)C ZINC001573538071 946763019 /nfs/dbraw/zinc/76/30/19/946763019.db2.gz VVHSUWJASHDSMU-UKRRQHHQSA-N -1 3 390.448 -0.346 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)C(C)C ZINC001573538071 946763011 /nfs/dbraw/zinc/76/30/11/946763011.db2.gz VVHSUWJASHDSMU-UKRRQHHQSA-N -1 3 390.448 -0.346 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573538076 946762807 /nfs/dbraw/zinc/76/28/07/946762807.db2.gz VYHRYMSEBZOACH-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573538076 946762798 /nfs/dbraw/zinc/76/27/98/946762798.db2.gz VYHRYMSEBZOACH-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573538077 946763535 /nfs/dbraw/zinc/76/35/35/946763535.db2.gz VYHRYMSEBZOACH-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573538077 946763526 /nfs/dbraw/zinc/76/35/26/946763526.db2.gz VYHRYMSEBZOACH-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573538184 946766421 /nfs/dbraw/zinc/76/64/21/946766421.db2.gz PKNJMKPDXCLHOV-AWEZNQCLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573538184 946766415 /nfs/dbraw/zinc/76/64/15/946766415.db2.gz PKNJMKPDXCLHOV-AWEZNQCLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573538208 946765033 /nfs/dbraw/zinc/76/50/33/946765033.db2.gz PUFFSYYLSIMNMG-AWEZNQCLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573538208 946765029 /nfs/dbraw/zinc/76/50/29/946765029.db2.gz PUFFSYYLSIMNMG-AWEZNQCLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573538464 946767165 /nfs/dbraw/zinc/76/71/65/946767165.db2.gz UELWTPIJFXDOIC-AWEZNQCLSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573538464 946767154 /nfs/dbraw/zinc/76/71/54/946767154.db2.gz UELWTPIJFXDOIC-AWEZNQCLSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](CC(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1)C(N)=O ZINC001573538480 946768238 /nfs/dbraw/zinc/76/82/38/946768238.db2.gz UMSICPVDJXIWGE-HNNXBMFYSA-N -1 3 385.428 -0.047 20 0 GBADHM CC(=O)N[C@@H](CC(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1)C(N)=O ZINC001573538480 946768233 /nfs/dbraw/zinc/76/82/33/946768233.db2.gz UMSICPVDJXIWGE-HNNXBMFYSA-N -1 3 385.428 -0.047 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573538487 946768542 /nfs/dbraw/zinc/76/85/42/946768542.db2.gz UNOVSSVWIXMSSW-KBPBESRZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573538487 946768531 /nfs/dbraw/zinc/76/85/31/946768531.db2.gz UNOVSSVWIXMSSW-KBPBESRZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573538489 946768814 /nfs/dbraw/zinc/76/88/14/946768814.db2.gz UNOVSSVWIXMSSW-KGLIPLIRSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573538489 946768807 /nfs/dbraw/zinc/76/88/07/946768807.db2.gz UNOVSSVWIXMSSW-KGLIPLIRSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)C ZINC001573538511 946768135 /nfs/dbraw/zinc/76/81/35/946768135.db2.gz WRTNPEXIULIGEV-CQSZACIVSA-N -1 3 388.432 -0.362 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)C ZINC001573538511 946768121 /nfs/dbraw/zinc/76/81/21/946768121.db2.gz WRTNPEXIULIGEV-CQSZACIVSA-N -1 3 388.432 -0.362 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573538536 946771939 /nfs/dbraw/zinc/77/19/39/946771939.db2.gz WBHAFNQEAHHSKR-HZMBPMFUSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573538536 946771924 /nfs/dbraw/zinc/77/19/24/946771924.db2.gz WBHAFNQEAHHSKR-HZMBPMFUSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573538537 946771841 /nfs/dbraw/zinc/77/18/41/946771841.db2.gz WBHAFNQEAHHSKR-YGRLFVJLSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573538537 946771837 /nfs/dbraw/zinc/77/18/37/946771837.db2.gz WBHAFNQEAHHSKR-YGRLFVJLSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573538542 946772095 /nfs/dbraw/zinc/77/20/95/946772095.db2.gz WLMNRQLAYNTAON-AWEZNQCLSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573538542 946772087 /nfs/dbraw/zinc/77/20/87/946772087.db2.gz WLMNRQLAYNTAON-AWEZNQCLSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573538549 946770056 /nfs/dbraw/zinc/77/00/56/946770056.db2.gz WQCHNMDUUMILOO-HZMBPMFUSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573538549 946770051 /nfs/dbraw/zinc/77/00/51/946770051.db2.gz WQCHNMDUUMILOO-HZMBPMFUSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573538550 946770002 /nfs/dbraw/zinc/77/00/02/946770002.db2.gz WQCHNMDUUMILOO-YGRLFVJLSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573538550 946769994 /nfs/dbraw/zinc/76/99/94/946769994.db2.gz WQCHNMDUUMILOO-YGRLFVJLSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573538580 946770277 /nfs/dbraw/zinc/77/02/77/946770277.db2.gz XLWBEWKRYXSLNX-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573538580 946770266 /nfs/dbraw/zinc/77/02/66/946770266.db2.gz XLWBEWKRYXSLNX-IINYFYTJSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)C ZINC001573538582 946771274 /nfs/dbraw/zinc/77/12/74/946771274.db2.gz XLWBEWKRYXSLNX-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)C ZINC001573538582 946771260 /nfs/dbraw/zinc/77/12/60/946771260.db2.gz XLWBEWKRYXSLNX-QMTHXVAHSA-N -1 3 390.448 -0.068 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)C(C)C ZINC001573538598 946771088 /nfs/dbraw/zinc/77/10/88/946771088.db2.gz YEGNRYRWHWGXOD-CQSZACIVSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)C(C)C ZINC001573538598 946771073 /nfs/dbraw/zinc/77/10/73/946771073.db2.gz YEGNRYRWHWGXOD-CQSZACIVSA-N -1 3 388.432 -0.360 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573538614 946773752 /nfs/dbraw/zinc/77/37/52/946773752.db2.gz ZACBAUANQDAPPY-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573538614 946773738 /nfs/dbraw/zinc/77/37/38/946773738.db2.gz ZACBAUANQDAPPY-GXTWGEPZSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)C ZINC001573538615 946774497 /nfs/dbraw/zinc/77/44/97/946774497.db2.gz ZACBAUANQDAPPY-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)C ZINC001573538615 946774495 /nfs/dbraw/zinc/77/44/95/946774495.db2.gz ZACBAUANQDAPPY-TZMCWYRMSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573538616 946774272 /nfs/dbraw/zinc/77/42/72/946774272.db2.gz ZAERYJCLNKMCOF-CQSZACIVSA-N -1 3 390.448 -0.114 20 0 GBADHM CC(=O)N[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573538616 946774266 /nfs/dbraw/zinc/77/42/66/946774266.db2.gz ZAERYJCLNKMCOF-CQSZACIVSA-N -1 3 390.448 -0.114 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573538638 946774397 /nfs/dbraw/zinc/77/43/97/946774397.db2.gz ZFPIZULLJONAKP-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573538638 946774391 /nfs/dbraw/zinc/77/43/91/946774391.db2.gz ZFPIZULLJONAKP-NOZJJQNGSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573538640 946773914 /nfs/dbraw/zinc/77/39/14/946773914.db2.gz ZFPIZULLJONAKP-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573538640 946773906 /nfs/dbraw/zinc/77/39/06/946773906.db2.gz ZFPIZULLJONAKP-TVQRCGJNSA-N -1 3 376.421 -0.410 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573538641 946773306 /nfs/dbraw/zinc/77/33/06/946773306.db2.gz ZHGSTCLGMAMIEI-HZMBPMFUSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573538641 946773293 /nfs/dbraw/zinc/77/32/93/946773293.db2.gz ZHGSTCLGMAMIEI-HZMBPMFUSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573538642 946772869 /nfs/dbraw/zinc/77/28/69/946772869.db2.gz ZHGSTCLGMAMIEI-YGRLFVJLSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573538642 946772867 /nfs/dbraw/zinc/77/28/67/946772867.db2.gz ZHGSTCLGMAMIEI-YGRLFVJLSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573538656 946774294 /nfs/dbraw/zinc/77/42/94/946774294.db2.gz ZQKADIGHSZIOLQ-AWEZNQCLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](CC(C)C)C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573538656 946774287 /nfs/dbraw/zinc/77/42/87/946774287.db2.gz ZQKADIGHSZIOLQ-AWEZNQCLSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@@H](CC(=O)N[C@@H](C)CNc1cccc(F)c1-c1nn[n-]n1)C(N)=O ZINC001573538657 946773013 /nfs/dbraw/zinc/77/30/13/946773013.db2.gz ZRLBHCMELWNIEV-UFBFGSQYSA-N -1 3 392.395 -0.698 20 0 GBADHM CC(=O)N[C@@H](CC(=O)N[C@@H](C)CNc1cccc(F)c1-c1nnn[n-]1)C(N)=O ZINC001573538657 946773005 /nfs/dbraw/zinc/77/30/05/946773005.db2.gz ZRLBHCMELWNIEV-UFBFGSQYSA-N -1 3 392.395 -0.698 20 0 GBADHM CC(=O)N[C@H](C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573540363 946773264 /nfs/dbraw/zinc/77/32/64/946773264.db2.gz AOTQVMOLOFEMJZ-CYBMUJFWSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573540363 946773251 /nfs/dbraw/zinc/77/32/51/946773251.db2.gz AOTQVMOLOFEMJZ-CYBMUJFWSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573540378 946776601 /nfs/dbraw/zinc/77/66/01/946776601.db2.gz BUDRFYSATCLIOG-GXTWGEPZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573540378 946776593 /nfs/dbraw/zinc/77/65/93/946776593.db2.gz BUDRFYSATCLIOG-GXTWGEPZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573540379 946776560 /nfs/dbraw/zinc/77/65/60/946776560.db2.gz BUDRFYSATCLIOG-TZMCWYRMSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573540379 946776553 /nfs/dbraw/zinc/77/65/53/946776553.db2.gz BUDRFYSATCLIOG-TZMCWYRMSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573540389 946776810 /nfs/dbraw/zinc/77/68/10/946776810.db2.gz CGDMXCKELYUUSW-GXTWGEPZSA-N -1 3 390.448 -0.299 20 0 GBADHM 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CC(=O)N[C@H](C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(C)C ZINC001573540416 946776774 /nfs/dbraw/zinc/77/67/74/946776774.db2.gz DIWGAJPZGRXXLC-CYBMUJFWSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(C)C ZINC001573540416 946776771 /nfs/dbraw/zinc/77/67/71/946776771.db2.gz DIWGAJPZGRXXLC-CYBMUJFWSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573540425 946776397 /nfs/dbraw/zinc/77/63/97/946776397.db2.gz DKGSENRXSFGXBO-CQSZACIVSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573540425 946776393 /nfs/dbraw/zinc/77/63/93/946776393.db2.gz DKGSENRXSFGXBO-CQSZACIVSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(C)C ZINC001573540445 946776139 /nfs/dbraw/zinc/77/61/39/946776139.db2.gz DWLSDRYQYXMWNZ-CYBMUJFWSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(C)C ZINC001573540445 946776126 /nfs/dbraw/zinc/77/61/26/946776126.db2.gz DWLSDRYQYXMWNZ-CYBMUJFWSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573540569 946778577 /nfs/dbraw/zinc/77/85/77/946778577.db2.gz GIYFXFNPLNTWQD-CQSZACIVSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573540569 946778572 /nfs/dbraw/zinc/77/85/72/946778572.db2.gz GIYFXFNPLNTWQD-CQSZACIVSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573540570 946778119 /nfs/dbraw/zinc/77/81/19/946778119.db2.gz GJBOECJSVWUVPR-GXTWGEPZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573540570 946778115 /nfs/dbraw/zinc/77/81/15/946778115.db2.gz GJBOECJSVWUVPR-GXTWGEPZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573540571 946778478 /nfs/dbraw/zinc/77/84/78/946778478.db2.gz GJBOECJSVWUVPR-TZMCWYRMSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573540571 946778469 /nfs/dbraw/zinc/77/84/69/946778469.db2.gz GJBOECJSVWUVPR-TZMCWYRMSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NCCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573540590 946778397 /nfs/dbraw/zinc/77/83/97/946778397.db2.gz GWCKVLDWNJGOSO-CQSZACIVSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NCCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573540590 946778395 /nfs/dbraw/zinc/77/83/95/946778395.db2.gz GWCKVLDWNJGOSO-CQSZACIVSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(=O)N[C@H](C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573540605 946778341 /nfs/dbraw/zinc/77/83/41/946778341.db2.gz HVUZIOLXFAQEDB-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573540605 946778334 /nfs/dbraw/zinc/77/83/34/946778334.db2.gz HVUZIOLXFAQEDB-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573540606 946779356 /nfs/dbraw/zinc/77/93/56/946779356.db2.gz HVVXAFOJXWPUGQ-CYBMUJFWSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573540606 946779353 /nfs/dbraw/zinc/77/93/53/946779353.db2.gz HVVXAFOJXWPUGQ-CYBMUJFWSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001573540629 946782098 /nfs/dbraw/zinc/78/20/98/946782098.db2.gz INCVVYFDGMEWAM-DGCLKSJQSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001573540629 946782091 /nfs/dbraw/zinc/78/20/91/946782091.db2.gz INCVVYFDGMEWAM-DGCLKSJQSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001573540630 946780542 /nfs/dbraw/zinc/78/05/42/946780542.db2.gz INCVVYFDGMEWAM-WCQYABFASA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001573540630 946780538 /nfs/dbraw/zinc/78/05/38/946780538.db2.gz INCVVYFDGMEWAM-WCQYABFASA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573540631 946782078 /nfs/dbraw/zinc/78/20/78/946782078.db2.gz IPYRNISNQGRYDO-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573540631 946782071 /nfs/dbraw/zinc/78/20/71/946782071.db2.gz IPYRNISNQGRYDO-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573540632 946782218 /nfs/dbraw/zinc/78/22/18/946782218.db2.gz IPYRNISNQGRYDO-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573540632 946782208 /nfs/dbraw/zinc/78/22/08/946782208.db2.gz IPYRNISNQGRYDO-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573540642 946781900 /nfs/dbraw/zinc/78/19/00/946781900.db2.gz IXTVZVQBJASVJP-GXTWGEPZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573540642 946781890 /nfs/dbraw/zinc/78/18/90/946781890.db2.gz IXTVZVQBJASVJP-GXTWGEPZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)C(C)(C)C ZINC001573540643 946781033 /nfs/dbraw/zinc/78/10/33/946781033.db2.gz IXTVZVQBJASVJP-TZMCWYRMSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)C(C)(C)C ZINC001573540643 946781029 /nfs/dbraw/zinc/78/10/29/946781029.db2.gz IXTVZVQBJASVJP-TZMCWYRMSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573540650 946781585 /nfs/dbraw/zinc/78/15/85/946781585.db2.gz JAKAXVCBHJSLEA-DZGCQCFKSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573540650 946781580 /nfs/dbraw/zinc/78/15/80/946781580.db2.gz JAKAXVCBHJSLEA-DZGCQCFKSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573540651 946780726 /nfs/dbraw/zinc/78/07/26/946780726.db2.gz JAKAXVCBHJSLEA-UKRRQHHQSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573540651 946780720 /nfs/dbraw/zinc/78/07/20/946780720.db2.gz JAKAXVCBHJSLEA-UKRRQHHQSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573540652 946781951 /nfs/dbraw/zinc/78/19/51/946781951.db2.gz JBRYAOPSGVJOFZ-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573540652 946781944 /nfs/dbraw/zinc/78/19/44/946781944.db2.gz JBRYAOPSGVJOFZ-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(C)(C)C ZINC001573540860 946780708 /nfs/dbraw/zinc/78/07/08/946780708.db2.gz JDVZMZBUWJBHML-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(C)(C)C ZINC001573540860 946780704 /nfs/dbraw/zinc/78/07/04/946780704.db2.gz JDVZMZBUWJBHML-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573540879 946780796 /nfs/dbraw/zinc/78/07/96/946780796.db2.gz JWMUYATUDQIPPH-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573540879 946780793 /nfs/dbraw/zinc/78/07/93/946780793.db2.gz JWMUYATUDQIPPH-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573540881 946780589 /nfs/dbraw/zinc/78/05/89/946780589.db2.gz JWMUYATUDQIPPH-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573540881 946780583 /nfs/dbraw/zinc/78/05/83/946780583.db2.gz JWMUYATUDQIPPH-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573540914 946781670 /nfs/dbraw/zinc/78/16/70/946781670.db2.gz KNFLIWJKGWIXJD-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573540914 946781661 /nfs/dbraw/zinc/78/16/61/946781661.db2.gz KNFLIWJKGWIXJD-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573540953 946781924 /nfs/dbraw/zinc/78/19/24/946781924.db2.gz LSOPZWQSXAYXEH-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573540953 946781920 /nfs/dbraw/zinc/78/19/20/946781920.db2.gz LSOPZWQSXAYXEH-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573540955 946781525 /nfs/dbraw/zinc/78/15/25/946781525.db2.gz LSOPZWQSXAYXEH-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573540955 946781515 /nfs/dbraw/zinc/78/15/15/946781515.db2.gz LSOPZWQSXAYXEH-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573541038 946783272 /nfs/dbraw/zinc/78/32/72/946783272.db2.gz MSGPRVNQTGFHSK-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573541038 946783265 /nfs/dbraw/zinc/78/32/65/946783265.db2.gz MSGPRVNQTGFHSK-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573541039 946784112 /nfs/dbraw/zinc/78/41/12/946784112.db2.gz MSGPRVNQTGFHSK-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573541039 946784101 /nfs/dbraw/zinc/78/41/01/946784101.db2.gz MSGPRVNQTGFHSK-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573541042 946783479 /nfs/dbraw/zinc/78/34/79/946783479.db2.gz MUMRCOQQYXSQSM-CQSZACIVSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573541042 946783477 /nfs/dbraw/zinc/78/34/77/946783477.db2.gz MUMRCOQQYXSQSM-CQSZACIVSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573541043 946783024 /nfs/dbraw/zinc/78/30/24/946783024.db2.gz MXKQQKRODNBDIH-GXTWGEPZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573541043 946783019 /nfs/dbraw/zinc/78/30/19/946783019.db2.gz MXKQQKRODNBDIH-GXTWGEPZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573541046 946783315 /nfs/dbraw/zinc/78/33/15/946783315.db2.gz MXKQQKRODNBDIH-TZMCWYRMSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573541046 946783311 /nfs/dbraw/zinc/78/33/11/946783311.db2.gz MXKQQKRODNBDIH-TZMCWYRMSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573541069 946784059 /nfs/dbraw/zinc/78/40/59/946784059.db2.gz NJZZJEHRRXSSSI-DZGCQCFKSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573541069 946784047 /nfs/dbraw/zinc/78/40/47/946784047.db2.gz NJZZJEHRRXSSSI-DZGCQCFKSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573541169 946783092 /nfs/dbraw/zinc/78/30/92/946783092.db2.gz NJZZJEHRRXSSSI-UKRRQHHQSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573541169 946783084 /nfs/dbraw/zinc/78/30/84/946783084.db2.gz NJZZJEHRRXSSSI-UKRRQHHQSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573541245 946785628 /nfs/dbraw/zinc/78/56/28/946785628.db2.gz PKNJMKPDXCLHOV-CQSZACIVSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573541245 946785620 /nfs/dbraw/zinc/78/56/20/946785620.db2.gz PKNJMKPDXCLHOV-CQSZACIVSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573541267 946786034 /nfs/dbraw/zinc/78/60/34/946786034.db2.gz PUFFSYYLSIMNMG-CQSZACIVSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573541267 946786028 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UNOVSSVWIXMSSW-ZIAGYGMSSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573541650 946787962 /nfs/dbraw/zinc/78/79/62/946787962.db2.gz UVDCCWUUYJAJNK-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573541650 946787955 /nfs/dbraw/zinc/78/79/55/946787955.db2.gz UVDCCWUUYJAJNK-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(C)(C)C ZINC001573541655 946788358 /nfs/dbraw/zinc/78/83/58/946788358.db2.gz VAFVWRAOXGDZFE-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(C)(C)C ZINC001573541655 946788354 /nfs/dbraw/zinc/78/83/54/946788354.db2.gz VAFVWRAOXGDZFE-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(C)C ZINC001573541663 946788556 /nfs/dbraw/zinc/78/85/56/946788556.db2.gz VNOGGRPMLXGJQM-CYBMUJFWSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(C)C ZINC001573541663 946788552 /nfs/dbraw/zinc/78/85/52/946788552.db2.gz VNOGGRPMLXGJQM-CYBMUJFWSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573541862 946791219 /nfs/dbraw/zinc/79/12/19/946791219.db2.gz WBHAFNQEAHHSKR-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573541862 946791212 /nfs/dbraw/zinc/79/12/12/946791212.db2.gz WBHAFNQEAHHSKR-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573541865 946790053 /nfs/dbraw/zinc/79/00/53/946790053.db2.gz WBHAFNQEAHHSKR-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573541865 946790042 /nfs/dbraw/zinc/79/00/42/946790042.db2.gz WBHAFNQEAHHSKR-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541869 946790412 /nfs/dbraw/zinc/79/04/12/946790412.db2.gz WERQEHJUJPVUIA-GXTWGEPZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541869 946790406 /nfs/dbraw/zinc/79/04/06/946790406.db2.gz WERQEHJUJPVUIA-GXTWGEPZSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001573541871 946791103 /nfs/dbraw/zinc/79/11/03/946791103.db2.gz WERQEHJUJPVUIA-TZMCWYRMSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001573541871 946791098 /nfs/dbraw/zinc/79/10/98/946791098.db2.gz WERQEHJUJPVUIA-TZMCWYRMSA-N -1 3 390.448 -0.299 20 0 GBADHM CC(=O)N[C@H](C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573541872 946790688 /nfs/dbraw/zinc/79/06/88/946790688.db2.gz WGBOSCZHKVAGFY-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573541872 946790681 /nfs/dbraw/zinc/79/06/81/946790681.db2.gz WGBOSCZHKVAGFY-NOZJJQNGSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573541873 946789912 /nfs/dbraw/zinc/78/99/12/946789912.db2.gz WGBOSCZHKVAGFY-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573541873 946789908 /nfs/dbraw/zinc/78/99/08/946789908.db2.gz WGBOSCZHKVAGFY-TVQRCGJNSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573541878 946791022 /nfs/dbraw/zinc/79/10/22/946791022.db2.gz WLMNRQLAYNTAON-CQSZACIVSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573541878 946791016 /nfs/dbraw/zinc/79/10/16/946791016.db2.gz WLMNRQLAYNTAON-CQSZACIVSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573541882 946790948 /nfs/dbraw/zinc/79/09/48/946790948.db2.gz WQCHNMDUUMILOO-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573541882 946790943 /nfs/dbraw/zinc/79/09/43/946790943.db2.gz WQCHNMDUUMILOO-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573541883 946790619 /nfs/dbraw/zinc/79/06/19/946790619.db2.gz WQCHNMDUUMILOO-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573541883 946790607 /nfs/dbraw/zinc/79/06/07/946790607.db2.gz WQCHNMDUUMILOO-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C ZINC001573541918 946790774 /nfs/dbraw/zinc/79/07/74/946790774.db2.gz YEVCGWWQHRWLJE-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C ZINC001573541918 946790768 /nfs/dbraw/zinc/79/07/68/946790768.db2.gz YEVCGWWQHRWLJE-CYBMUJFWSA-N -1 3 390.448 -0.066 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573541949 946792169 /nfs/dbraw/zinc/79/21/69/946792169.db2.gz ZHGSTCLGMAMIEI-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573541949 946792160 /nfs/dbraw/zinc/79/21/60/946792160.db2.gz ZHGSTCLGMAMIEI-IINYFYTJSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573541950 946793547 /nfs/dbraw/zinc/79/35/47/946793547.db2.gz ZHGSTCLGMAMIEI-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573541950 946793539 /nfs/dbraw/zinc/79/35/39/946793539.db2.gz ZHGSTCLGMAMIEI-QMTHXVAHSA-N -1 3 390.448 -0.020 20 0 GBADHM 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CC(=O)c1cn(CC(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)nn1 ZINC001573558741 946942421 /nfs/dbraw/zinc/94/24/21/946942421.db2.gz OXXUMEMGCBACDB-UHFFFAOYSA-N -1 3 382.388 -0.595 20 0 GBADHM CC(=O)c1cn(CC(=O)N2CCN(c3cnccc3-c3nn[n-]n3)CC2)nn1 ZINC001573559021 946944332 /nfs/dbraw/zinc/94/43/32/946944332.db2.gz VOTXOTXBKSELPR-UHFFFAOYSA-N -1 3 382.388 -0.595 20 0 GBADHM CC(=O)c1cn(CC(=O)N2CCN(c3cnccc3-c3nnn[n-]3)CC2)nn1 ZINC001573559021 946944323 /nfs/dbraw/zinc/94/43/23/946944323.db2.gz VOTXOTXBKSELPR-UHFFFAOYSA-N -1 3 382.388 -0.595 20 0 GBADHM CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573584856 947237980 /nfs/dbraw/zinc/23/79/80/947237980.db2.gz AHENIUVQTQWFBO-GDLCADMTSA-N -1 3 390.448 -0.775 20 0 GBADHM CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573584856 947237964 /nfs/dbraw/zinc/23/79/64/947237964.db2.gz AHENIUVQTQWFBO-GDLCADMTSA-N -1 3 390.448 -0.775 20 0 GBADHM 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CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001573586548 947288844 /nfs/dbraw/zinc/28/88/44/947288844.db2.gz QOGCPZIGKMCYAK-GDLCADMTSA-N -1 3 390.448 -0.775 20 0 GBADHM CC(C)N(C)C(=O)[C@H](C)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001573586548 947288833 /nfs/dbraw/zinc/28/88/33/947288833.db2.gz QOGCPZIGKMCYAK-GDLCADMTSA-N -1 3 390.448 -0.775 20 0 GBADHM CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001573586549 947287784 /nfs/dbraw/zinc/28/77/84/947287784.db2.gz QOGCPZIGKMCYAK-HONMWMINSA-N -1 3 390.448 -0.775 20 0 GBADHM CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001573586549 947287776 /nfs/dbraw/zinc/28/77/76/947287776.db2.gz QOGCPZIGKMCYAK-HONMWMINSA-N -1 3 390.448 -0.775 20 0 GBADHM CC(C)N(C)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573586550 947288974 /nfs/dbraw/zinc/28/89/74/947288974.db2.gz QOGCPZIGKMCYAK-LERXQTSPSA-N -1 3 390.448 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C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001573591864 947322825 /nfs/dbraw/zinc/32/28/25/947322825.db2.gz GUTQJPWQUBBOFQ-OCCSQVGLSA-N -1 3 385.432 -0.025 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001573591864 947322811 /nfs/dbraw/zinc/32/28/11/947322811.db2.gz GUTQJPWQUBBOFQ-OCCSQVGLSA-N -1 3 385.432 -0.025 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cccn1 ZINC001573591865 947323300 /nfs/dbraw/zinc/32/33/00/947323300.db2.gz GUTQJPWQUBBOFQ-TZMCWYRMSA-N -1 3 385.432 -0.025 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cccn1 ZINC001573591865 947323288 /nfs/dbraw/zinc/32/32/88/947323288.db2.gz GUTQJPWQUBBOFQ-TZMCWYRMSA-N -1 3 385.432 -0.025 20 0 GBADHM C[C@H](C(=O)N(C)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573591874 947324660 /nfs/dbraw/zinc/32/46/60/947324660.db2.gz HBMZATICYJBPDC-LLVKDONJSA-N -1 3 378.458 -0.058 20 0 GBADHM 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C[C@@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573592366 947336280 /nfs/dbraw/zinc/33/62/80/947336280.db2.gz JZCJNHXSKKYYRR-BXKDBHETSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573592368 947337331 /nfs/dbraw/zinc/33/73/31/947337331.db2.gz JZCJNHXSKKYYRR-CABZTGNLSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573592368 947337318 /nfs/dbraw/zinc/33/73/18/947337318.db2.gz JZCJNHXSKKYYRR-CABZTGNLSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573592370 947337371 /nfs/dbraw/zinc/33/73/71/947337371.db2.gz JZCJNHXSKKYYRR-JOYOIKCWSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573592370 947337356 /nfs/dbraw/zinc/33/73/56/947337356.db2.gz JZCJNHXSKKYYRR-JOYOIKCWSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573592372 947337293 /nfs/dbraw/zinc/33/72/93/947337293.db2.gz JZCJNHXSKKYYRR-SKDRFNHKSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N(C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573592372 947337280 /nfs/dbraw/zinc/33/72/80/947337280.db2.gz JZCJNHXSKKYYRR-SKDRFNHKSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573592491 947338893 /nfs/dbraw/zinc/33/88/93/947338893.db2.gz CRNNRTLPWBTEPM-APPDUMDISA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573592491 947338882 /nfs/dbraw/zinc/33/88/82/947338882.db2.gz CRNNRTLPWBTEPM-APPDUMDISA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573592492 947339539 /nfs/dbraw/zinc/33/95/39/947339539.db2.gz CRNNRTLPWBTEPM-DIFFPNOSSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573592492 947339526 /nfs/dbraw/zinc/33/95/26/947339526.db2.gz CRNNRTLPWBTEPM-DIFFPNOSSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573592493 947340201 /nfs/dbraw/zinc/34/02/01/947340201.db2.gz CRNNRTLPWBTEPM-GTNSWQLSSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573592493 947340188 /nfs/dbraw/zinc/34/01/88/947340188.db2.gz CRNNRTLPWBTEPM-GTNSWQLSSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573592494 947340813 /nfs/dbraw/zinc/34/08/13/947340813.db2.gz CRNNRTLPWBTEPM-PIGZYNQJSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@](C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573592494 947340801 /nfs/dbraw/zinc/34/08/01/947340801.db2.gz CRNNRTLPWBTEPM-PIGZYNQJSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573592622 947341967 /nfs/dbraw/zinc/34/19/67/947341967.db2.gz LHSIXVAPEUNXDJ-LLVKDONJSA-N -1 3 378.458 -0.058 20 0 GBADHM C[C@@H](C(=O)N(C)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573592623 947343899 /nfs/dbraw/zinc/34/38/99/947343899.db2.gz LHSIXVAPEUNXDJ-NSHDSACASA-N -1 3 378.458 -0.058 20 0 GBADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573592642 947343938 /nfs/dbraw/zinc/34/39/38/947343938.db2.gz LYFYQDOTUKSXCS-CMPLNLGQSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573592642 947343925 /nfs/dbraw/zinc/34/39/25/947343925.db2.gz LYFYQDOTUKSXCS-CMPLNLGQSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573592643 947343346 /nfs/dbraw/zinc/34/33/46/947343346.db2.gz LYFYQDOTUKSXCS-JQWIXIFHSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573592643 947343335 /nfs/dbraw/zinc/34/33/35/947343335.db2.gz LYFYQDOTUKSXCS-JQWIXIFHSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573592644 947343725 /nfs/dbraw/zinc/34/37/25/947343725.db2.gz LYFYQDOTUKSXCS-PWSUYJOCSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573592644 947343713 /nfs/dbraw/zinc/34/37/13/947343713.db2.gz LYFYQDOTUKSXCS-PWSUYJOCSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573592645 947343053 /nfs/dbraw/zinc/34/30/53/947343053.db2.gz LYFYQDOTUKSXCS-ZYHUDNBSSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573592645 947343046 /nfs/dbraw/zinc/34/30/46/947343046.db2.gz LYFYQDOTUKSXCS-ZYHUDNBSSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573592661 947345433 /nfs/dbraw/zinc/34/54/33/947345433.db2.gz DZABTJWLVWIKTP-APPDUMDISA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573592661 947345421 /nfs/dbraw/zinc/34/54/21/947345421.db2.gz DZABTJWLVWIKTP-APPDUMDISA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573592662 947344898 /nfs/dbraw/zinc/34/48/98/947344898.db2.gz DZABTJWLVWIKTP-DIFFPNOSSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573592662 947344885 /nfs/dbraw/zinc/34/48/85/947344885.db2.gz DZABTJWLVWIKTP-DIFFPNOSSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573592663 947344344 /nfs/dbraw/zinc/34/43/44/947344344.db2.gz DZABTJWLVWIKTP-GTNSWQLSSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573592663 947344334 /nfs/dbraw/zinc/34/43/34/947344334.db2.gz DZABTJWLVWIKTP-GTNSWQLSSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573592664 947346260 /nfs/dbraw/zinc/34/62/60/947346260.db2.gz DZABTJWLVWIKTP-PIGZYNQJSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@](C)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573592664 947346248 /nfs/dbraw/zinc/34/62/48/947346248.db2.gz DZABTJWLVWIKTP-PIGZYNQJSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573592684 947347305 /nfs/dbraw/zinc/34/73/05/947347305.db2.gz FHJNGZGIKCSMJH-GFCCVEGCSA-N -1 3 389.464 -0.981 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCN(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573592685 947345395 /nfs/dbraw/zinc/34/53/95/947345395.db2.gz FHJNGZGIKCSMJH-LBPRGKRZSA-N -1 3 389.464 -0.981 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573592688 947346218 /nfs/dbraw/zinc/34/62/18/947346218.db2.gz FKWVCIDLIKSIGD-GFCCVEGCSA-N -1 3 389.464 -0.981 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573592688 947346206 /nfs/dbraw/zinc/34/62/06/947346206.db2.gz FKWVCIDLIKSIGD-GFCCVEGCSA-N -1 3 389.464 -0.981 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCN(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573592689 947346411 /nfs/dbraw/zinc/34/64/11/947346411.db2.gz FKWVCIDLIKSIGD-LBPRGKRZSA-N -1 3 389.464 -0.981 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCN(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573592689 947346401 /nfs/dbraw/zinc/34/64/01/947346401.db2.gz FKWVCIDLIKSIGD-LBPRGKRZSA-N -1 3 389.464 -0.981 20 0 GBADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573592706 947345326 /nfs/dbraw/zinc/34/53/26/947345326.db2.gz FSRUVQAKTDZRSW-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573592706 947345315 /nfs/dbraw/zinc/34/53/15/947345315.db2.gz FSRUVQAKTDZRSW-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573592707 947346115 /nfs/dbraw/zinc/34/61/15/947346115.db2.gz FSRUVQAKTDZRSW-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573592707 947346102 /nfs/dbraw/zinc/34/61/02/947346102.db2.gz FSRUVQAKTDZRSW-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573592708 947344709 /nfs/dbraw/zinc/34/47/09/947344709.db2.gz FSRUVQAKTDZRSW-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573592708 947344699 /nfs/dbraw/zinc/34/46/99/947344699.db2.gz FSRUVQAKTDZRSW-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573592710 947345971 /nfs/dbraw/zinc/34/59/71/947345971.db2.gz FSRUVQAKTDZRSW-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573592710 947345960 /nfs/dbraw/zinc/34/59/60/947345960.db2.gz FSRUVQAKTDZRSW-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573592821 947353603 /nfs/dbraw/zinc/35/36/03/947353603.db2.gz NRUUUWMLEZNAOQ-CHWSQXEVSA-N -1 3 385.432 -0.025 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573592821 947353588 /nfs/dbraw/zinc/35/35/88/947353588.db2.gz NRUUUWMLEZNAOQ-CHWSQXEVSA-N -1 3 385.432 -0.025 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573592822 947352204 /nfs/dbraw/zinc/35/22/04/947352204.db2.gz NRUUUWMLEZNAOQ-OLZOCXBDSA-N -1 3 385.432 -0.025 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573592822 947352188 /nfs/dbraw/zinc/35/21/88/947352188.db2.gz NRUUUWMLEZNAOQ-OLZOCXBDSA-N -1 3 385.432 -0.025 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573592823 947352105 /nfs/dbraw/zinc/35/21/05/947352105.db2.gz NRUUUWMLEZNAOQ-QWHCGFSZSA-N -1 3 385.432 -0.025 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573592823 947352096 /nfs/dbraw/zinc/35/20/96/947352096.db2.gz NRUUUWMLEZNAOQ-QWHCGFSZSA-N -1 3 385.432 -0.025 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1)n1cccn1 ZINC001573592824 947351378 /nfs/dbraw/zinc/35/13/78/947351378.db2.gz NRUUUWMLEZNAOQ-STQMWFEESA-N -1 3 385.432 -0.025 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1)n1cccn1 ZINC001573592824 947351368 /nfs/dbraw/zinc/35/13/68/947351368.db2.gz NRUUUWMLEZNAOQ-STQMWFEESA-N -1 3 385.432 -0.025 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573592876 947351344 /nfs/dbraw/zinc/35/13/44/947351344.db2.gz GJVZDYRELHVFKY-APPDUMDISA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573592876 947351333 /nfs/dbraw/zinc/35/13/33/947351333.db2.gz GJVZDYRELHVFKY-APPDUMDISA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCC[C@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573592879 947351744 /nfs/dbraw/zinc/35/17/44/947351744.db2.gz GJVZDYRELHVFKY-DIFFPNOSSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCC[C@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573592879 947351733 /nfs/dbraw/zinc/35/17/33/947351733.db2.gz GJVZDYRELHVFKY-DIFFPNOSSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCC[C@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573592881 947353520 /nfs/dbraw/zinc/35/35/20/947353520.db2.gz GJVZDYRELHVFKY-GTNSWQLSSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCC[C@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573592881 947353504 /nfs/dbraw/zinc/35/35/04/947353504.db2.gz GJVZDYRELHVFKY-GTNSWQLSSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573592883 947352804 /nfs/dbraw/zinc/35/28/04/947352804.db2.gz GJVZDYRELHVFKY-PIGZYNQJSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCC[C@@](CO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573592883 947352790 /nfs/dbraw/zinc/35/27/90/947352790.db2.gz GJVZDYRELHVFKY-PIGZYNQJSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573592898 947355440 /nfs/dbraw/zinc/35/54/40/947355440.db2.gz GMGOSDZOFMLPMQ-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573592898 947355431 /nfs/dbraw/zinc/35/54/31/947355431.db2.gz GMGOSDZOFMLPMQ-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573592901 947356049 /nfs/dbraw/zinc/35/60/49/947356049.db2.gz GMGOSDZOFMLPMQ-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573592901 947356036 /nfs/dbraw/zinc/35/60/36/947356036.db2.gz GMGOSDZOFMLPMQ-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573592903 947355172 /nfs/dbraw/zinc/35/51/72/947355172.db2.gz GMGOSDZOFMLPMQ-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573592903 947355161 /nfs/dbraw/zinc/35/51/61/947355161.db2.gz GMGOSDZOFMLPMQ-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573592905 947355661 /nfs/dbraw/zinc/35/56/61/947355661.db2.gz GMGOSDZOFMLPMQ-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573592905 947355649 /nfs/dbraw/zinc/35/56/49/947355649.db2.gz GMGOSDZOFMLPMQ-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CC2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2 ZINC001573592939 947355039 /nfs/dbraw/zinc/35/50/39/947355039.db2.gz GQPXFCTUSYUXDD-LLVKDONJSA-N -1 3 388.432 -0.802 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CC2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2 ZINC001573592939 947355027 /nfs/dbraw/zinc/35/50/27/947355027.db2.gz GQPXFCTUSYUXDD-LLVKDONJSA-N -1 3 388.432 -0.802 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CC2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2 ZINC001573592943 947356585 /nfs/dbraw/zinc/35/65/85/947356585.db2.gz GQPXFCTUSYUXDD-NSHDSACASA-N -1 3 388.432 -0.802 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CC2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2 ZINC001573592943 947356570 /nfs/dbraw/zinc/35/65/70/947356570.db2.gz GQPXFCTUSYUXDD-NSHDSACASA-N -1 3 388.432 -0.802 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573592948 947354688 /nfs/dbraw/zinc/35/46/88/947354688.db2.gz OOVMJCRDYPHLQH-AAEUAGOBSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573592948 947354678 /nfs/dbraw/zinc/35/46/78/947354678.db2.gz OOVMJCRDYPHLQH-AAEUAGOBSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573592949 947355346 /nfs/dbraw/zinc/35/53/46/947355346.db2.gz OOVMJCRDYPHLQH-DGCLKSJQSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573592949 947355332 /nfs/dbraw/zinc/35/53/32/947355332.db2.gz OOVMJCRDYPHLQH-DGCLKSJQSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573592951 947355856 /nfs/dbraw/zinc/35/58/56/947355856.db2.gz OOVMJCRDYPHLQH-WCQYABFASA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573592951 947355842 /nfs/dbraw/zinc/35/58/42/947355842.db2.gz OOVMJCRDYPHLQH-WCQYABFASA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1)n1cncn1 ZINC001573592953 947357055 /nfs/dbraw/zinc/35/70/55/947357055.db2.gz OOVMJCRDYPHLQH-YPMHNXCESA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1)n1cncn1 ZINC001573592953 947357038 /nfs/dbraw/zinc/35/70/38/947357038.db2.gz OOVMJCRDYPHLQH-YPMHNXCESA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2 ZINC001573592970 947359627 /nfs/dbraw/zinc/35/96/27/947359627.db2.gz HADWIIDZGFNGOC-CMPLNLGQSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2 ZINC001573592970 947359613 /nfs/dbraw/zinc/35/96/13/947359613.db2.gz HADWIIDZGFNGOC-CMPLNLGQSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2 ZINC001573592972 947359799 /nfs/dbraw/zinc/35/97/99/947359799.db2.gz HADWIIDZGFNGOC-JQWIXIFHSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2 ZINC001573592972 947359786 /nfs/dbraw/zinc/35/97/86/947359786.db2.gz HADWIIDZGFNGOC-JQWIXIFHSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2 ZINC001573592974 947358615 /nfs/dbraw/zinc/35/86/15/947358615.db2.gz HADWIIDZGFNGOC-PWSUYJOCSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2 ZINC001573592974 947358605 /nfs/dbraw/zinc/35/86/05/947358605.db2.gz HADWIIDZGFNGOC-PWSUYJOCSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2 ZINC001573592977 947359551 /nfs/dbraw/zinc/35/95/51/947359551.db2.gz HADWIIDZGFNGOC-ZYHUDNBSSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2 ZINC001573592977 947359538 /nfs/dbraw/zinc/35/95/38/947359538.db2.gz HADWIIDZGFNGOC-ZYHUDNBSSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573593052 947360452 /nfs/dbraw/zinc/36/04/52/947360452.db2.gz HZDLWXANEQWTFP-GFCCVEGCSA-N -1 3 389.464 -0.981 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573593052 947360439 /nfs/dbraw/zinc/36/04/39/947360439.db2.gz HZDLWXANEQWTFP-GFCCVEGCSA-N -1 3 389.464 -0.981 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCN(CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573593055 947362450 /nfs/dbraw/zinc/36/24/50/947362450.db2.gz HZDLWXANEQWTFP-LBPRGKRZSA-N -1 3 389.464 -0.981 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCN(CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573593055 947362438 /nfs/dbraw/zinc/36/24/38/947362438.db2.gz HZDLWXANEQWTFP-LBPRGKRZSA-N -1 3 389.464 -0.981 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573593260 947366635 /nfs/dbraw/zinc/36/66/35/947366635.db2.gz JEZJDIJMVJVXEC-APPDUMDISA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573593260 947366618 /nfs/dbraw/zinc/36/66/18/947366618.db2.gz JEZJDIJMVJVXEC-APPDUMDISA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573593261 947367979 /nfs/dbraw/zinc/36/79/79/947367979.db2.gz JEZJDIJMVJVXEC-DIFFPNOSSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573593261 947367974 /nfs/dbraw/zinc/36/79/74/947367974.db2.gz JEZJDIJMVJVXEC-DIFFPNOSSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573593263 947366503 /nfs/dbraw/zinc/36/65/03/947366503.db2.gz JEZJDIJMVJVXEC-GTNSWQLSSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCC[C@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573593263 947366492 /nfs/dbraw/zinc/36/64/92/947366492.db2.gz JEZJDIJMVJVXEC-GTNSWQLSSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573593266 947366877 /nfs/dbraw/zinc/36/68/77/947366877.db2.gz JEZJDIJMVJVXEC-PIGZYNQJSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCC[C@@](CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573593266 947366865 /nfs/dbraw/zinc/36/68/65/947366865.db2.gz JEZJDIJMVJVXEC-PIGZYNQJSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573593437 947370706 /nfs/dbraw/zinc/37/07/06/947370706.db2.gz TWBOJBNBNGGKMB-AAEUAGOBSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573593437 947370696 /nfs/dbraw/zinc/37/06/96/947370696.db2.gz TWBOJBNBNGGKMB-AAEUAGOBSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573593440 947369642 /nfs/dbraw/zinc/36/96/42/947369642.db2.gz TWBOJBNBNGGKMB-DGCLKSJQSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573593440 947369626 /nfs/dbraw/zinc/36/96/26/947369626.db2.gz TWBOJBNBNGGKMB-DGCLKSJQSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573593442 947370416 /nfs/dbraw/zinc/37/04/16/947370416.db2.gz TWBOJBNBNGGKMB-WCQYABFASA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573593442 947370405 /nfs/dbraw/zinc/37/04/05/947370405.db2.gz TWBOJBNBNGGKMB-WCQYABFASA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573593444 947369593 /nfs/dbraw/zinc/36/95/93/947369593.db2.gz TWBOJBNBNGGKMB-YPMHNXCESA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573593444 947369587 /nfs/dbraw/zinc/36/95/87/947369587.db2.gz TWBOJBNBNGGKMB-YPMHNXCESA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573593566 947375629 /nfs/dbraw/zinc/37/56/29/947375629.db2.gz KREBZSXQQLULEI-APPDUMDISA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573593568 947374614 /nfs/dbraw/zinc/37/46/14/947374614.db2.gz KREBZSXQQLULEI-DIFFPNOSSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCC[C@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573593570 947375316 /nfs/dbraw/zinc/37/53/16/947375316.db2.gz KREBZSXQQLULEI-GTNSWQLSSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCC[C@@](CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573593572 947374171 /nfs/dbraw/zinc/37/41/71/947374171.db2.gz KREBZSXQQLULEI-PIGZYNQJSA-N -1 3 390.448 -0.772 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573593644 947374564 /nfs/dbraw/zinc/37/45/64/947374564.db2.gz LIPBBPSILLBMKF-CMPLNLGQSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573593644 947374554 /nfs/dbraw/zinc/37/45/54/947374554.db2.gz LIPBBPSILLBMKF-CMPLNLGQSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573593645 947374089 /nfs/dbraw/zinc/37/40/89/947374089.db2.gz LIPBBPSILLBMKF-JQWIXIFHSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573593645 947374072 /nfs/dbraw/zinc/37/40/72/947374072.db2.gz LIPBBPSILLBMKF-JQWIXIFHSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573593646 947374690 /nfs/dbraw/zinc/37/46/90/947374690.db2.gz LIPBBPSILLBMKF-PWSUYJOCSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573593646 947374679 /nfs/dbraw/zinc/37/46/79/947374679.db2.gz LIPBBPSILLBMKF-PWSUYJOCSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573593647 947377032 /nfs/dbraw/zinc/37/70/32/947377032.db2.gz LIPBBPSILLBMKF-ZYHUDNBSSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573593647 947377021 /nfs/dbraw/zinc/37/70/21/947377021.db2.gz LIPBBPSILLBMKF-ZYHUDNBSSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001573593880 947381518 /nfs/dbraw/zinc/38/15/18/947381518.db2.gz MJFUJSFUTKNOQL-CMPLNLGQSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001573593880 947381503 /nfs/dbraw/zinc/38/15/03/947381503.db2.gz MJFUJSFUTKNOQL-CMPLNLGQSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001573593881 947380399 /nfs/dbraw/zinc/38/03/99/947380399.db2.gz MJFUJSFUTKNOQL-JQWIXIFHSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001573593881 947380386 /nfs/dbraw/zinc/38/03/86/947380386.db2.gz MJFUJSFUTKNOQL-JQWIXIFHSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001573593882 947381430 /nfs/dbraw/zinc/38/14/30/947381430.db2.gz MJFUJSFUTKNOQL-PWSUYJOCSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CC2(C1)C[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001573593882 947381417 /nfs/dbraw/zinc/38/14/17/947381417.db2.gz MJFUJSFUTKNOQL-PWSUYJOCSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)CO2 ZINC001573593883 947380050 /nfs/dbraw/zinc/38/00/50/947380050.db2.gz MJFUJSFUTKNOQL-ZYHUDNBSSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CC2(C1)C[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)CO2 ZINC001573593883 947380038 /nfs/dbraw/zinc/38/00/38/947380038.db2.gz MJFUJSFUTKNOQL-ZYHUDNBSSA-N -1 3 388.432 -0.755 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001573594165 947387330 /nfs/dbraw/zinc/38/73/30/947387330.db2.gz OAYRDQSZIXSJGA-LLVKDONJSA-N -1 3 388.432 -0.802 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001573594165 947387316 /nfs/dbraw/zinc/38/73/16/947387316.db2.gz OAYRDQSZIXSJGA-LLVKDONJSA-N -1 3 388.432 -0.802 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001573594166 947387498 /nfs/dbraw/zinc/38/74/98/947387498.db2.gz OAYRDQSZIXSJGA-NSHDSACASA-N -1 3 388.432 -0.802 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001573594166 947387483 /nfs/dbraw/zinc/38/74/83/947387483.db2.gz OAYRDQSZIXSJGA-NSHDSACASA-N -1 3 388.432 -0.802 20 0 GBADHM C[C@@H](C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573594167 947389052 /nfs/dbraw/zinc/38/90/52/947389052.db2.gz ODQHPNDFEXKHAZ-GCVQQVDUSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573594167 947389036 /nfs/dbraw/zinc/38/90/36/947389036.db2.gz ODQHPNDFEXKHAZ-GCVQQVDUSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573594168 947389708 /nfs/dbraw/zinc/38/97/08/947389708.db2.gz ODQHPNDFEXKHAZ-OIKLOGQESA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)N(C)C1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573594168 947389693 /nfs/dbraw/zinc/38/96/93/947389693.db2.gz ODQHPNDFEXKHAZ-OIKLOGQESA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573594403 947396653 /nfs/dbraw/zinc/39/66/53/947396653.db2.gz YTKHEAOOFBWDKH-CMPLNLGQSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573594403 947396643 /nfs/dbraw/zinc/39/66/43/947396643.db2.gz YTKHEAOOFBWDKH-CMPLNLGQSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573594405 947395486 /nfs/dbraw/zinc/39/54/86/947395486.db2.gz YTKHEAOOFBWDKH-JQWIXIFHSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573594405 947395476 /nfs/dbraw/zinc/39/54/76/947395476.db2.gz YTKHEAOOFBWDKH-JQWIXIFHSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573594407 947394350 /nfs/dbraw/zinc/39/43/50/947394350.db2.gz YTKHEAOOFBWDKH-PWSUYJOCSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N(C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573594407 947394341 /nfs/dbraw/zinc/39/43/41/947394341.db2.gz YTKHEAOOFBWDKH-PWSUYJOCSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573594409 947396504 /nfs/dbraw/zinc/39/65/04/947396504.db2.gz YTKHEAOOFBWDKH-ZYHUDNBSSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573594409 947396491 /nfs/dbraw/zinc/39/64/91/947396491.db2.gz YTKHEAOOFBWDKH-ZYHUDNBSSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573594429 947395919 /nfs/dbraw/zinc/39/59/19/947395919.db2.gz YWWOHQZVFBWMCS-NEPJUHHUSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573594429 947395907 /nfs/dbraw/zinc/39/59/07/947395907.db2.gz YWWOHQZVFBWMCS-NEPJUHHUSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573594430 947394243 /nfs/dbraw/zinc/39/42/43/947394243.db2.gz YWWOHQZVFBWMCS-NWDGAFQWSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573594430 947394233 /nfs/dbraw/zinc/39/42/33/947394233.db2.gz YWWOHQZVFBWMCS-NWDGAFQWSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573594431 947394980 /nfs/dbraw/zinc/39/49/80/947394980.db2.gz YWWOHQZVFBWMCS-RYUDHWBXSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573594431 947394970 /nfs/dbraw/zinc/39/49/70/947394970.db2.gz YWWOHQZVFBWMCS-RYUDHWBXSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573594432 947394608 /nfs/dbraw/zinc/39/46/08/947394608.db2.gz YWWOHQZVFBWMCS-VXGBXAGGSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573594432 947394602 /nfs/dbraw/zinc/39/46/02/947394602.db2.gz YWWOHQZVFBWMCS-VXGBXAGGSA-N -1 3 386.420 -0.630 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573594550 947401052 /nfs/dbraw/zinc/40/10/52/947401052.db2.gz QGTTXQWJWDIHBK-GHMZBOCLSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573594550 947401043 /nfs/dbraw/zinc/40/10/43/947401043.db2.gz QGTTXQWJWDIHBK-GHMZBOCLSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573594551 947401151 /nfs/dbraw/zinc/40/11/51/947401151.db2.gz QGTTXQWJWDIHBK-MNOVXSKESA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573594551 947401145 /nfs/dbraw/zinc/40/11/45/947401145.db2.gz QGTTXQWJWDIHBK-MNOVXSKESA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573594552 947400407 /nfs/dbraw/zinc/40/04/07/947400407.db2.gz QGTTXQWJWDIHBK-QWRGUYRKSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573594552 947400399 /nfs/dbraw/zinc/40/03/99/947400399.db2.gz QGTTXQWJWDIHBK-QWRGUYRKSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573594553 947400912 /nfs/dbraw/zinc/40/09/12/947400912.db2.gz QGTTXQWJWDIHBK-WDEREUQCSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573594553 947400904 /nfs/dbraw/zinc/40/09/04/947400904.db2.gz QGTTXQWJWDIHBK-WDEREUQCSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573594713 947405164 /nfs/dbraw/zinc/40/51/64/947405164.db2.gz CNKJSCPYOIAPBT-LLVKDONJSA-N -1 3 381.462 -0.021 20 0 GBADHM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573594713 947405157 /nfs/dbraw/zinc/40/51/57/947405157.db2.gz CNKJSCPYOIAPBT-LLVKDONJSA-N -1 3 381.462 -0.021 20 0 GBADHM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573594714 947406475 /nfs/dbraw/zinc/40/64/75/947406475.db2.gz CNKJSCPYOIAPBT-NSHDSACASA-N -1 3 381.462 -0.021 20 0 GBADHM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573594714 947406462 /nfs/dbraw/zinc/40/64/62/947406462.db2.gz CNKJSCPYOIAPBT-NSHDSACASA-N -1 3 381.462 -0.021 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573594974 947412523 /nfs/dbraw/zinc/41/25/23/947412523.db2.gz VIYQHYGNDJTGQA-APPDUMDISA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573594974 947412512 /nfs/dbraw/zinc/41/25/12/947412512.db2.gz VIYQHYGNDJTGQA-APPDUMDISA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573594975 947412996 /nfs/dbraw/zinc/41/29/96/947412996.db2.gz VIYQHYGNDJTGQA-DIFFPNOSSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573594975 947412990 /nfs/dbraw/zinc/41/29/90/947412990.db2.gz VIYQHYGNDJTGQA-DIFFPNOSSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573594976 947412309 /nfs/dbraw/zinc/41/23/09/947412309.db2.gz VIYQHYGNDJTGQA-GTNSWQLSSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCO[C@@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573594976 947412301 /nfs/dbraw/zinc/41/23/01/947412301.db2.gz VIYQHYGNDJTGQA-GTNSWQLSSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@](C)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573594977 947412248 /nfs/dbraw/zinc/41/22/48/947412248.db2.gz VIYQHYGNDJTGQA-PIGZYNQJSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCO[C@](C)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573594977 947412241 /nfs/dbraw/zinc/41/22/41/947412241.db2.gz VIYQHYGNDJTGQA-PIGZYNQJSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573595070 947415049 /nfs/dbraw/zinc/41/50/49/947415049.db2.gz FLCNJAWSGFVDBC-GHMZBOCLSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573595070 947415046 /nfs/dbraw/zinc/41/50/46/947415046.db2.gz FLCNJAWSGFVDBC-GHMZBOCLSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573595072 947415012 /nfs/dbraw/zinc/41/50/12/947415012.db2.gz FLCNJAWSGFVDBC-MNOVXSKESA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573595072 947415007 /nfs/dbraw/zinc/41/50/07/947415007.db2.gz FLCNJAWSGFVDBC-MNOVXSKESA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573595074 947414718 /nfs/dbraw/zinc/41/47/18/947414718.db2.gz FLCNJAWSGFVDBC-QWRGUYRKSA-N -1 3 384.404 -0.280 20 0 GBADHM 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C[C@H](C(=O)N(C)C)N1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573595312 947419253 /nfs/dbraw/zinc/41/92/53/947419253.db2.gz XOKOXEJFVDBJQZ-DGCLKSJQSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573595312 947419244 /nfs/dbraw/zinc/41/92/44/947419244.db2.gz XOKOXEJFVDBJQZ-DGCLKSJQSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCCO[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573595313 947419638 /nfs/dbraw/zinc/41/96/38/947419638.db2.gz XOKOXEJFVDBJQZ-WCQYABFASA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](C(=O)N(C)C)N1CCCO[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573595313 947419632 /nfs/dbraw/zinc/41/96/32/947419632.db2.gz XOKOXEJFVDBJQZ-WCQYABFASA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCCO[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573595315 947420073 /nfs/dbraw/zinc/42/00/73/947420073.db2.gz XOKOXEJFVDBJQZ-YPMHNXCESA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](C(=O)N(C)C)N1CCCO[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573595315 947420069 /nfs/dbraw/zinc/42/00/69/947420069.db2.gz XOKOXEJFVDBJQZ-YPMHNXCESA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573596009 947427651 /nfs/dbraw/zinc/42/76/51/947427651.db2.gz HWBHFVXCUWAYHK-CMPLNLGQSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573596009 947427646 /nfs/dbraw/zinc/42/76/46/947427646.db2.gz HWBHFVXCUWAYHK-CMPLNLGQSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573596011 947427515 /nfs/dbraw/zinc/42/75/15/947427515.db2.gz HWBHFVXCUWAYHK-JQWIXIFHSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573596011 947427506 /nfs/dbraw/zinc/42/75/06/947427506.db2.gz HWBHFVXCUWAYHK-JQWIXIFHSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573596014 947426660 /nfs/dbraw/zinc/42/66/60/947426660.db2.gz HWBHFVXCUWAYHK-PWSUYJOCSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573596014 947426653 /nfs/dbraw/zinc/42/66/53/947426653.db2.gz HWBHFVXCUWAYHK-PWSUYJOCSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573596016 947426523 /nfs/dbraw/zinc/42/65/23/947426523.db2.gz HWBHFVXCUWAYHK-ZYHUDNBSSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573596016 947426515 /nfs/dbraw/zinc/42/65/15/947426515.db2.gz HWBHFVXCUWAYHK-ZYHUDNBSSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573596425 947430292 /nfs/dbraw/zinc/43/02/92/947430292.db2.gz JTYCFCZFXBJGKA-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573596425 947430283 /nfs/dbraw/zinc/43/02/83/947430283.db2.gz JTYCFCZFXBJGKA-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573596426 947428859 /nfs/dbraw/zinc/42/88/59/947428859.db2.gz JTYCFCZFXBJGKA-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573596426 947428851 /nfs/dbraw/zinc/42/88/51/947428851.db2.gz JTYCFCZFXBJGKA-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573596427 947428964 /nfs/dbraw/zinc/42/89/64/947428964.db2.gz JTYCFCZFXBJGKA-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573596427 947428956 /nfs/dbraw/zinc/42/89/56/947428956.db2.gz JTYCFCZFXBJGKA-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573596428 947429344 /nfs/dbraw/zinc/42/93/44/947429344.db2.gz JTYCFCZFXBJGKA-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573596428 947429340 /nfs/dbraw/zinc/42/93/40/947429340.db2.gz JTYCFCZFXBJGKA-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573596447 947428821 /nfs/dbraw/zinc/42/88/21/947428821.db2.gz KCNONAHHMVXKMI-LLVKDONJSA-N -1 3 386.420 -0.032 20 0 GBADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573596447 947428816 /nfs/dbraw/zinc/42/88/16/947428816.db2.gz KCNONAHHMVXKMI-LLVKDONJSA-N -1 3 386.420 -0.032 20 0 GBADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573596449 947430094 /nfs/dbraw/zinc/43/00/94/947430094.db2.gz KCNONAHHMVXKMI-NSHDSACASA-N -1 3 386.420 -0.032 20 0 GBADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573596449 947430092 /nfs/dbraw/zinc/43/00/92/947430092.db2.gz KCNONAHHMVXKMI-NSHDSACASA-N -1 3 386.420 -0.032 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573596818 947431685 /nfs/dbraw/zinc/43/16/85/947431685.db2.gz LIZVFAQJELQKDH-AAEUAGOBSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573596818 947431677 /nfs/dbraw/zinc/43/16/77/947431677.db2.gz LIZVFAQJELQKDH-AAEUAGOBSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573596819 947432522 /nfs/dbraw/zinc/43/25/22/947432522.db2.gz LIZVFAQJELQKDH-DGCLKSJQSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573596819 947432517 /nfs/dbraw/zinc/43/25/17/947432517.db2.gz LIZVFAQJELQKDH-DGCLKSJQSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573596820 947431291 /nfs/dbraw/zinc/43/12/91/947431291.db2.gz LIZVFAQJELQKDH-WCQYABFASA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573596820 947431284 /nfs/dbraw/zinc/43/12/84/947431284.db2.gz LIZVFAQJELQKDH-WCQYABFASA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573596821 947432143 /nfs/dbraw/zinc/43/21/43/947432143.db2.gz LIZVFAQJELQKDH-YPMHNXCESA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573596821 947432131 /nfs/dbraw/zinc/43/21/31/947432131.db2.gz LIZVFAQJELQKDH-YPMHNXCESA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573596981 947434295 /nfs/dbraw/zinc/43/42/95/947434295.db2.gz MMVUKIVATOFATQ-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573596981 947434288 /nfs/dbraw/zinc/43/42/88/947434288.db2.gz MMVUKIVATOFATQ-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573596983 947433611 /nfs/dbraw/zinc/43/36/11/947433611.db2.gz MMVUKIVATOFATQ-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573596983 947433604 /nfs/dbraw/zinc/43/36/04/947433604.db2.gz MMVUKIVATOFATQ-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573596984 947434518 /nfs/dbraw/zinc/43/45/18/947434518.db2.gz MMVUKIVATOFATQ-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573596984 947434510 /nfs/dbraw/zinc/43/45/10/947434510.db2.gz MMVUKIVATOFATQ-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573596985 947434926 /nfs/dbraw/zinc/43/49/26/947434926.db2.gz MMVUKIVATOFATQ-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573596985 947434919 /nfs/dbraw/zinc/43/49/19/947434919.db2.gz MMVUKIVATOFATQ-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573597270 947435162 /nfs/dbraw/zinc/43/51/62/947435162.db2.gz MRPMEMJXATVXAA-NEPJUHHUSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573597270 947435156 /nfs/dbraw/zinc/43/51/56/947435156.db2.gz MRPMEMJXATVXAA-NEPJUHHUSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573597272 947434039 /nfs/dbraw/zinc/43/40/39/947434039.db2.gz MRPMEMJXATVXAA-NWDGAFQWSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573597272 947434033 /nfs/dbraw/zinc/43/40/33/947434033.db2.gz MRPMEMJXATVXAA-NWDGAFQWSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573597274 947435327 /nfs/dbraw/zinc/43/53/27/947435327.db2.gz MRPMEMJXATVXAA-RYUDHWBXSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573597274 947435321 /nfs/dbraw/zinc/43/53/21/947435321.db2.gz MRPMEMJXATVXAA-RYUDHWBXSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573597278 947434586 /nfs/dbraw/zinc/43/45/86/947434586.db2.gz MRPMEMJXATVXAA-VXGBXAGGSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573597278 947434576 /nfs/dbraw/zinc/43/45/76/947434576.db2.gz MRPMEMJXATVXAA-VXGBXAGGSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573597953 947440652 /nfs/dbraw/zinc/44/06/52/947440652.db2.gz POWNBKGPNUVVSA-GHMZBOCLSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573597953 947440643 /nfs/dbraw/zinc/44/06/43/947440643.db2.gz POWNBKGPNUVVSA-GHMZBOCLSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573597955 947439878 /nfs/dbraw/zinc/43/98/78/947439878.db2.gz POWNBKGPNUVVSA-MNOVXSKESA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573597955 947439869 /nfs/dbraw/zinc/43/98/69/947439869.db2.gz POWNBKGPNUVVSA-MNOVXSKESA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573597957 947442000 /nfs/dbraw/zinc/44/20/00/947442000.db2.gz POWNBKGPNUVVSA-QWRGUYRKSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573597957 947441996 /nfs/dbraw/zinc/44/19/96/947441996.db2.gz POWNBKGPNUVVSA-QWRGUYRKSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573597959 947441775 /nfs/dbraw/zinc/44/17/75/947441775.db2.gz POWNBKGPNUVVSA-WDEREUQCSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573597959 947441769 /nfs/dbraw/zinc/44/17/69/947441769.db2.gz POWNBKGPNUVVSA-WDEREUQCSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573598437 947444445 /nfs/dbraw/zinc/44/44/45/947444445.db2.gz QYCRGIFBCVSIDI-AAEUAGOBSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573598437 947444432 /nfs/dbraw/zinc/44/44/32/947444432.db2.gz QYCRGIFBCVSIDI-AAEUAGOBSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573598439 947445758 /nfs/dbraw/zinc/44/57/58/947445758.db2.gz QYCRGIFBCVSIDI-DGCLKSJQSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573598439 947445752 /nfs/dbraw/zinc/44/57/52/947445752.db2.gz QYCRGIFBCVSIDI-DGCLKSJQSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573598441 947445216 /nfs/dbraw/zinc/44/52/16/947445216.db2.gz QYCRGIFBCVSIDI-WCQYABFASA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573598441 947445210 /nfs/dbraw/zinc/44/52/10/947445210.db2.gz QYCRGIFBCVSIDI-WCQYABFASA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573598442 947444937 /nfs/dbraw/zinc/44/49/37/947444937.db2.gz QYCRGIFBCVSIDI-YPMHNXCESA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573598442 947444933 /nfs/dbraw/zinc/44/49/33/947444933.db2.gz QYCRGIFBCVSIDI-YPMHNXCESA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573598763 947445680 /nfs/dbraw/zinc/44/56/80/947445680.db2.gz RIBXUQYZALZNME-LLVKDONJSA-N -1 3 386.420 -0.032 20 0 GBADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573598763 947445670 /nfs/dbraw/zinc/44/56/70/947445670.db2.gz RIBXUQYZALZNME-LLVKDONJSA-N -1 3 386.420 -0.032 20 0 GBADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573598765 947445622 /nfs/dbraw/zinc/44/56/22/947445622.db2.gz RIBXUQYZALZNME-NSHDSACASA-N -1 3 386.420 -0.032 20 0 GBADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573598765 947445617 /nfs/dbraw/zinc/44/56/17/947445617.db2.gz RIBXUQYZALZNME-NSHDSACASA-N -1 3 386.420 -0.032 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573598783 947444527 /nfs/dbraw/zinc/44/45/27/947444527.db2.gz RNXRYUUUCQIOJJ-APPZFPTMSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573598783 947444506 /nfs/dbraw/zinc/44/45/06/947444506.db2.gz RNXRYUUUCQIOJJ-APPZFPTMSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573598785 947445120 /nfs/dbraw/zinc/44/51/20/947445120.db2.gz RNXRYUUUCQIOJJ-CBAPKCEASA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573598785 947445114 /nfs/dbraw/zinc/44/51/14/947445114.db2.gz RNXRYUUUCQIOJJ-CBAPKCEASA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573598786 947444891 /nfs/dbraw/zinc/44/48/91/947444891.db2.gz RNXRYUUUCQIOJJ-IONNQARKSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573598786 947444884 /nfs/dbraw/zinc/44/48/84/947444884.db2.gz RNXRYUUUCQIOJJ-IONNQARKSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573598787 947445325 /nfs/dbraw/zinc/44/53/25/947445325.db2.gz RNXRYUUUCQIOJJ-VXNVDRBHSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573598787 947445317 /nfs/dbraw/zinc/44/53/17/947445317.db2.gz RNXRYUUUCQIOJJ-VXNVDRBHSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573598848 947446634 /nfs/dbraw/zinc/44/66/34/947446634.db2.gz SLRMEDZEPFTPAQ-LLVKDONJSA-N -1 3 386.420 -0.032 20 0 GBADHM C[C@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573598848 947446625 /nfs/dbraw/zinc/44/66/25/947446625.db2.gz SLRMEDZEPFTPAQ-LLVKDONJSA-N -1 3 386.420 -0.032 20 0 GBADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573598849 947446483 /nfs/dbraw/zinc/44/64/83/947446483.db2.gz SLRMEDZEPFTPAQ-NSHDSACASA-N -1 3 386.420 -0.032 20 0 GBADHM C[C@@H](C(=O)N(C)CCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573598849 947446475 /nfs/dbraw/zinc/44/64/75/947446475.db2.gz SLRMEDZEPFTPAQ-NSHDSACASA-N -1 3 386.420 -0.032 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573599221 947451326 /nfs/dbraw/zinc/45/13/26/947451326.db2.gz WDFQVZGBZQCZEK-APPZFPTMSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573599221 947451317 /nfs/dbraw/zinc/45/13/17/947451317.db2.gz WDFQVZGBZQCZEK-APPZFPTMSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573599222 947452262 /nfs/dbraw/zinc/45/22/62/947452262.db2.gz WDFQVZGBZQCZEK-CBAPKCEASA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573599222 947452257 /nfs/dbraw/zinc/45/22/57/947452257.db2.gz WDFQVZGBZQCZEK-CBAPKCEASA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573599223 947451173 /nfs/dbraw/zinc/45/11/73/947451173.db2.gz WDFQVZGBZQCZEK-IONNQARKSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573599223 947451163 /nfs/dbraw/zinc/45/11/63/947451163.db2.gz WDFQVZGBZQCZEK-IONNQARKSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573599224 947452803 /nfs/dbraw/zinc/45/28/03/947452803.db2.gz WDFQVZGBZQCZEK-VXNVDRBHSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573599224 947452796 /nfs/dbraw/zinc/45/27/96/947452796.db2.gz WDFQVZGBZQCZEK-VXNVDRBHSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nc1)S(C)(=O)=O ZINC001573599703 947460913 /nfs/dbraw/zinc/46/09/13/947460913.db2.gz ZSVTULCVGWFNQS-LLVKDONJSA-N -1 3 381.462 -0.021 20 0 GBADHM C[C@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nc1)S(C)(=O)=O ZINC001573599703 947460906 /nfs/dbraw/zinc/46/09/06/947460906.db2.gz ZSVTULCVGWFNQS-LLVKDONJSA-N -1 3 381.462 -0.021 20 0 GBADHM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nc1)S(C)(=O)=O ZINC001573599705 947460279 /nfs/dbraw/zinc/46/02/79/947460279.db2.gz ZSVTULCVGWFNQS-NSHDSACASA-N -1 3 381.462 -0.021 20 0 GBADHM C[C@@H](C(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nc1)S(C)(=O)=O ZINC001573599705 947460271 /nfs/dbraw/zinc/46/02/71/947460271.db2.gz ZSVTULCVGWFNQS-NSHDSACASA-N -1 3 381.462 -0.021 20 0 GBADHM C[C@H](C(=O)N(C)CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)S(C)(=O)=O ZINC001573601802 947462753 /nfs/dbraw/zinc/46/27/53/947462753.db2.gz BOHAALWKBQDFGW-SECBINFHSA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@H](C(=O)N(C)CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)S(C)(=O)=O ZINC001573601802 947462745 /nfs/dbraw/zinc/46/27/45/947462745.db2.gz BOHAALWKBQDFGW-SECBINFHSA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@@H](C(=O)N(C)CCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)S(C)(=O)=O ZINC001573601805 947463782 /nfs/dbraw/zinc/46/37/82/947463782.db2.gz BOHAALWKBQDFGW-VIFPVBQESA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@@H](C(=O)N(C)CCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)S(C)(=O)=O ZINC001573601805 947463779 /nfs/dbraw/zinc/46/37/79/947463779.db2.gz BOHAALWKBQDFGW-VIFPVBQESA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCC(=O)N1 ZINC001573602528 947468064 /nfs/dbraw/zinc/46/80/64/947468064.db2.gz FGFMWOAGJKPFDY-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCC(=O)N1 ZINC001573602528 947468057 /nfs/dbraw/zinc/46/80/57/947468057.db2.gz FGFMWOAGJKPFDY-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCC(=O)N1 ZINC001573602532 947467692 /nfs/dbraw/zinc/46/76/92/947467692.db2.gz FGFMWOAGJKPFDY-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCC(=O)N1 ZINC001573602532 947467688 /nfs/dbraw/zinc/46/76/88/947467688.db2.gz FGFMWOAGJKPFDY-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCC(=O)N1 ZINC001573602534 947469088 /nfs/dbraw/zinc/46/90/88/947469088.db2.gz FGFMWOAGJKPFDY-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCC(=O)N1 ZINC001573602534 947469080 /nfs/dbraw/zinc/46/90/80/947469080.db2.gz FGFMWOAGJKPFDY-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCC(=O)N1 ZINC001573602536 947467978 /nfs/dbraw/zinc/46/79/78/947467978.db2.gz FGFMWOAGJKPFDY-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCC(=O)N1 ZINC001573602536 947467972 /nfs/dbraw/zinc/46/79/72/947467972.db2.gz FGFMWOAGJKPFDY-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001573602922 947473927 /nfs/dbraw/zinc/47/39/27/947473927.db2.gz BOXSIXVYIDVHSJ-BXUZGUMPSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001573602922 947473918 /nfs/dbraw/zinc/47/39/18/947473918.db2.gz BOXSIXVYIDVHSJ-BXUZGUMPSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001573602923 947473327 /nfs/dbraw/zinc/47/33/27/947473327.db2.gz BOXSIXVYIDVHSJ-FZMZJTMJSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001573602923 947473321 /nfs/dbraw/zinc/47/33/21/947473321.db2.gz BOXSIXVYIDVHSJ-FZMZJTMJSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001573602924 947473876 /nfs/dbraw/zinc/47/38/76/947473876.db2.gz BOXSIXVYIDVHSJ-RISCZKNCSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001573602924 947473870 /nfs/dbraw/zinc/47/38/70/947473870.db2.gz BOXSIXVYIDVHSJ-RISCZKNCSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001573602925 947473198 /nfs/dbraw/zinc/47/31/98/947473198.db2.gz BOXSIXVYIDVHSJ-SMDDNHRTSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001573602925 947473194 /nfs/dbraw/zinc/47/31/94/947473194.db2.gz BOXSIXVYIDVHSJ-SMDDNHRTSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573602926 947473066 /nfs/dbraw/zinc/47/30/66/947473066.db2.gz BQACFPNCGUMGGY-LLVKDONJSA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573602926 947473060 /nfs/dbraw/zinc/47/30/60/947473060.db2.gz BQACFPNCGUMGGY-LLVKDONJSA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573602927 947474017 /nfs/dbraw/zinc/47/40/17/947474017.db2.gz BQACFPNCGUMGGY-NSHDSACASA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573602927 947474011 /nfs/dbraw/zinc/47/40/11/947474011.db2.gz BQACFPNCGUMGGY-NSHDSACASA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCC(=O)N1 ZINC001573602999 947475572 /nfs/dbraw/zinc/47/55/72/947475572.db2.gz ILCGZMKQAXDIFP-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCC(=O)N1 ZINC001573602999 947475567 /nfs/dbraw/zinc/47/55/67/947475567.db2.gz ILCGZMKQAXDIFP-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCC(=O)N1 ZINC001573603000 947477373 /nfs/dbraw/zinc/47/73/73/947477373.db2.gz ILCGZMKQAXDIFP-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCC(=O)N1 ZINC001573603000 947477359 /nfs/dbraw/zinc/47/73/59/947477359.db2.gz ILCGZMKQAXDIFP-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCC(=O)N1 ZINC001573603001 947476499 /nfs/dbraw/zinc/47/64/99/947476499.db2.gz ILCGZMKQAXDIFP-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCC(=O)N1 ZINC001573603001 947476485 /nfs/dbraw/zinc/47/64/85/947476485.db2.gz ILCGZMKQAXDIFP-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCC(=O)N1 ZINC001573603002 947475705 /nfs/dbraw/zinc/47/57/05/947475705.db2.gz ILCGZMKQAXDIFP-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCC(=O)N1 ZINC001573603002 947475701 /nfs/dbraw/zinc/47/57/01/947475701.db2.gz ILCGZMKQAXDIFP-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCC(=O)N1 ZINC001573603194 947479697 /nfs/dbraw/zinc/47/96/97/947479697.db2.gz DNRVHBWLFOFGJJ-AAEUAGOBSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCC(=O)N1 ZINC001573603194 947479687 /nfs/dbraw/zinc/47/96/87/947479687.db2.gz DNRVHBWLFOFGJJ-AAEUAGOBSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCC(=O)N1 ZINC001573603195 947479168 /nfs/dbraw/zinc/47/91/68/947479168.db2.gz DNRVHBWLFOFGJJ-DGCLKSJQSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCC(=O)N1 ZINC001573603195 947479162 /nfs/dbraw/zinc/47/91/62/947479162.db2.gz DNRVHBWLFOFGJJ-DGCLKSJQSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCC(=O)N1 ZINC001573603196 947479974 /nfs/dbraw/zinc/47/99/74/947479974.db2.gz DNRVHBWLFOFGJJ-WCQYABFASA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCC(=O)N1 ZINC001573603196 947479963 /nfs/dbraw/zinc/47/99/63/947479963.db2.gz DNRVHBWLFOFGJJ-WCQYABFASA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCC(=O)N1 ZINC001573603197 947480185 /nfs/dbraw/zinc/48/01/85/947480185.db2.gz DNRVHBWLFOFGJJ-YPMHNXCESA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCC(=O)N1 ZINC001573603197 947480176 /nfs/dbraw/zinc/48/01/76/947480176.db2.gz DNRVHBWLFOFGJJ-YPMHNXCESA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001573603230 947481719 /nfs/dbraw/zinc/48/17/19/947481719.db2.gz FGRPJQDMURLFPM-BXUZGUMPSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001573603230 947481712 /nfs/dbraw/zinc/48/17/12/947481712.db2.gz FGRPJQDMURLFPM-BXUZGUMPSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001573603231 947481734 /nfs/dbraw/zinc/48/17/34/947481734.db2.gz FGRPJQDMURLFPM-FZMZJTMJSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001573603231 947481729 /nfs/dbraw/zinc/48/17/29/947481729.db2.gz FGRPJQDMURLFPM-FZMZJTMJSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@@H]1CCCO1 ZINC001573603232 947481984 /nfs/dbraw/zinc/48/19/84/947481984.db2.gz FGRPJQDMURLFPM-RISCZKNCSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@@H]1CCCO1 ZINC001573603232 947481975 /nfs/dbraw/zinc/48/19/75/947481975.db2.gz FGRPJQDMURLFPM-RISCZKNCSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H]1CCCO1 ZINC001573603233 947482656 /nfs/dbraw/zinc/48/26/56/947482656.db2.gz FGRPJQDMURLFPM-SMDDNHRTSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H]1CCCO1 ZINC001573603233 947482643 /nfs/dbraw/zinc/48/26/43/947482643.db2.gz FGRPJQDMURLFPM-SMDDNHRTSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCCCC1=O ZINC001573603356 947484665 /nfs/dbraw/zinc/48/46/65/947484665.db2.gz KWWOWKHRSSAZQL-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCCCC1=O ZINC001573603356 947484657 /nfs/dbraw/zinc/48/46/57/947484657.db2.gz KWWOWKHRSSAZQL-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCCCC1=O ZINC001573603357 947484870 /nfs/dbraw/zinc/48/48/70/947484870.db2.gz KWWOWKHRSSAZQL-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCCCC1=O ZINC001573603357 947484866 /nfs/dbraw/zinc/48/48/66/947484866.db2.gz KWWOWKHRSSAZQL-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001573603479 947487794 /nfs/dbraw/zinc/48/77/94/947487794.db2.gz ICAGUYRWIFBKNT-BXUZGUMPSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001573603479 947487779 /nfs/dbraw/zinc/48/77/79/947487779.db2.gz ICAGUYRWIFBKNT-BXUZGUMPSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001573603480 947488977 /nfs/dbraw/zinc/48/89/77/947488977.db2.gz ICAGUYRWIFBKNT-FZMZJTMJSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001573603480 947488969 /nfs/dbraw/zinc/48/89/69/947488969.db2.gz ICAGUYRWIFBKNT-FZMZJTMJSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001573603481 947489432 /nfs/dbraw/zinc/48/94/32/947489432.db2.gz ICAGUYRWIFBKNT-RISCZKNCSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001573603481 947489425 /nfs/dbraw/zinc/48/94/25/947489425.db2.gz ICAGUYRWIFBKNT-RISCZKNCSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001573603482 947489501 /nfs/dbraw/zinc/48/95/01/947489501.db2.gz ICAGUYRWIFBKNT-SMDDNHRTSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001573603482 947489497 /nfs/dbraw/zinc/48/94/97/947489497.db2.gz ICAGUYRWIFBKNT-SMDDNHRTSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573603638 947493073 /nfs/dbraw/zinc/49/30/73/947493073.db2.gz IVFGDCUKONXXAM-LLVKDONJSA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573603638 947493068 /nfs/dbraw/zinc/49/30/68/947493068.db2.gz IVFGDCUKONXXAM-LLVKDONJSA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573603639 947491349 /nfs/dbraw/zinc/49/13/49/947491349.db2.gz IVFGDCUKONXXAM-NSHDSACASA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573603639 947491340 /nfs/dbraw/zinc/49/13/40/947491340.db2.gz IVFGDCUKONXXAM-NSHDSACASA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573603660 947494007 /nfs/dbraw/zinc/49/40/07/947494007.db2.gz JCTZQPOSWDLMNR-MRVPVSSYSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573603660 947494001 /nfs/dbraw/zinc/49/40/01/947494001.db2.gz JCTZQPOSWDLMNR-MRVPVSSYSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573603661 947495503 /nfs/dbraw/zinc/49/55/03/947495503.db2.gz JCTZQPOSWDLMNR-QMMMGPOBSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573603661 947495492 /nfs/dbraw/zinc/49/54/92/947495492.db2.gz JCTZQPOSWDLMNR-QMMMGPOBSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573603827 947499699 /nfs/dbraw/zinc/49/96/99/947499699.db2.gz KPXVQWMIVSJECI-MRVPVSSYSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573603827 947499691 /nfs/dbraw/zinc/49/96/91/947499691.db2.gz KPXVQWMIVSJECI-MRVPVSSYSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573603829 947498873 /nfs/dbraw/zinc/49/88/73/947498873.db2.gz KPXVQWMIVSJECI-QMMMGPOBSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573603829 947498867 /nfs/dbraw/zinc/49/88/67/947498867.db2.gz KPXVQWMIVSJECI-QMMMGPOBSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@@H](C(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cncn1 ZINC001573603840 947499940 /nfs/dbraw/zinc/49/99/40/947499940.db2.gz KRXTWUXCUOZDHA-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cncn1 ZINC001573603840 947499933 /nfs/dbraw/zinc/49/99/33/947499933.db2.gz KRXTWUXCUOZDHA-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N(CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cncn1 ZINC001573603842 947499623 /nfs/dbraw/zinc/49/96/23/947499623.db2.gz KRXTWUXCUOZDHA-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N(CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cncn1 ZINC001573603842 947499615 /nfs/dbraw/zinc/49/96/15/947499615.db2.gz KRXTWUXCUOZDHA-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573604145 947505446 /nfs/dbraw/zinc/50/54/46/947505446.db2.gz SITLOGXLQACDFR-SECBINFHSA-N -1 3 383.434 -0.842 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573604147 947506025 /nfs/dbraw/zinc/50/60/25/947506025.db2.gz SITLOGXLQACDFR-VIFPVBQESA-N -1 3 383.434 -0.842 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573604193 947506232 /nfs/dbraw/zinc/50/62/32/947506232.db2.gz MJSLTXXREGKGBZ-GFCCVEGCSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573604193 947506225 /nfs/dbraw/zinc/50/62/25/947506225.db2.gz MJSLTXXREGKGBZ-GFCCVEGCSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573604196 947505121 /nfs/dbraw/zinc/50/51/21/947505121.db2.gz MJSLTXXREGKGBZ-LBPRGKRZSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573604196 947505118 /nfs/dbraw/zinc/50/51/18/947505118.db2.gz MJSLTXXREGKGBZ-LBPRGKRZSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573604248 947507454 /nfs/dbraw/zinc/50/74/54/947507454.db2.gz MXLAOOJAVARQOY-GFCCVEGCSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573604248 947507449 /nfs/dbraw/zinc/50/74/49/947507449.db2.gz MXLAOOJAVARQOY-GFCCVEGCSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573604250 947507936 /nfs/dbraw/zinc/50/79/36/947507936.db2.gz MXLAOOJAVARQOY-LBPRGKRZSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573604250 947507932 /nfs/dbraw/zinc/50/79/32/947507932.db2.gz MXLAOOJAVARQOY-LBPRGKRZSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)S(C)(=O)=O ZINC001573604371 947507649 /nfs/dbraw/zinc/50/76/49/947507649.db2.gz SQSHSLURXMLITQ-SECBINFHSA-N -1 3 383.434 -0.842 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)S(C)(=O)=O ZINC001573604371 947507646 /nfs/dbraw/zinc/50/76/46/947507646.db2.gz SQSHSLURXMLITQ-SECBINFHSA-N -1 3 383.434 -0.842 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)S(C)(=O)=O ZINC001573604372 947507560 /nfs/dbraw/zinc/50/75/60/947507560.db2.gz SQSHSLURXMLITQ-VIFPVBQESA-N -1 3 383.434 -0.842 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)S(C)(=O)=O ZINC001573604372 947507554 /nfs/dbraw/zinc/50/75/54/947507554.db2.gz SQSHSLURXMLITQ-VIFPVBQESA-N -1 3 383.434 -0.842 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCC(=O)N1 ZINC001573604388 947508425 /nfs/dbraw/zinc/50/84/25/947508425.db2.gz NLTDMQICAGSGEY-AAEUAGOBSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCC(=O)N1 ZINC001573604388 947508412 /nfs/dbraw/zinc/50/84/12/947508412.db2.gz NLTDMQICAGSGEY-AAEUAGOBSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCC(=O)N1 ZINC001573604390 947507987 /nfs/dbraw/zinc/50/79/87/947507987.db2.gz NLTDMQICAGSGEY-DGCLKSJQSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCC(=O)N1 ZINC001573604390 947507977 /nfs/dbraw/zinc/50/79/77/947507977.db2.gz NLTDMQICAGSGEY-DGCLKSJQSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)[C@H]1CCC(=O)N1 ZINC001573604391 947507233 /nfs/dbraw/zinc/50/72/33/947507233.db2.gz NLTDMQICAGSGEY-WCQYABFASA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)[C@H]1CCC(=O)N1 ZINC001573604391 947507219 /nfs/dbraw/zinc/50/72/19/947507219.db2.gz NLTDMQICAGSGEY-WCQYABFASA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)[C@@H]1CCC(=O)N1 ZINC001573604392 947508827 /nfs/dbraw/zinc/50/88/27/947508827.db2.gz NLTDMQICAGSGEY-YPMHNXCESA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1)[C@@H]1CCC(=O)N1 ZINC001573604392 947508815 /nfs/dbraw/zinc/50/88/15/947508815.db2.gz NLTDMQICAGSGEY-YPMHNXCESA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573604407 947511761 /nfs/dbraw/zinc/51/17/61/947511761.db2.gz NPJVKKPPDBTTBV-MRVPVSSYSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573604407 947511752 /nfs/dbraw/zinc/51/17/52/947511752.db2.gz NPJVKKPPDBTTBV-MRVPVSSYSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573604408 947511525 /nfs/dbraw/zinc/51/15/25/947511525.db2.gz NPJVKKPPDBTTBV-QMMMGPOBSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573604408 947511516 /nfs/dbraw/zinc/51/15/16/947511516.db2.gz NPJVKKPPDBTTBV-QMMMGPOBSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@H](C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1F)N1C(=O)CCC1=O ZINC001573604464 947511557 /nfs/dbraw/zinc/51/15/57/947511557.db2.gz NTPMGMCTRUSNLI-SECBINFHSA-N -1 3 390.379 -0.191 20 0 GBADHM C[C@H](C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F)N1C(=O)CCC1=O ZINC001573604464 947511549 /nfs/dbraw/zinc/51/15/49/947511549.db2.gz NTPMGMCTRUSNLI-SECBINFHSA-N -1 3 390.379 -0.191 20 0 GBADHM C[C@@H](C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1F)N1C(=O)CCC1=O ZINC001573604478 947511582 /nfs/dbraw/zinc/51/15/82/947511582.db2.gz NTPMGMCTRUSNLI-VIFPVBQESA-N -1 3 390.379 -0.191 20 0 GBADHM C[C@@H](C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F)N1C(=O)CCC1=O ZINC001573604478 947511575 /nfs/dbraw/zinc/51/15/75/947511575.db2.gz NTPMGMCTRUSNLI-VIFPVBQESA-N -1 3 390.379 -0.191 20 0 GBADHM C[C@H](C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N1CCCCC1=O ZINC001573604486 947509985 /nfs/dbraw/zinc/50/99/85/947509985.db2.gz UZWBYZLWLMJPLX-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N1CCCCC1=O ZINC001573604486 947509975 /nfs/dbraw/zinc/50/99/75/947509975.db2.gz UZWBYZLWLMJPLX-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N1CCCCC1=O ZINC001573604489 947510624 /nfs/dbraw/zinc/51/06/24/947510624.db2.gz UZWBYZLWLMJPLX-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N1CCCCC1=O ZINC001573604489 947510615 /nfs/dbraw/zinc/51/06/15/947510615.db2.gz UZWBYZLWLMJPLX-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](C(=O)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cncn1 ZINC001573604773 947519096 /nfs/dbraw/zinc/51/90/96/947519096.db2.gz RHEZCRCXJRHFFJ-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cncn1 ZINC001573604773 947519082 /nfs/dbraw/zinc/51/90/82/947519082.db2.gz RHEZCRCXJRHFFJ-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N(CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cncn1 ZINC001573604774 947517738 /nfs/dbraw/zinc/51/77/38/947517738.db2.gz RHEZCRCXJRHFFJ-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N(CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cncn1 ZINC001573604774 947517730 /nfs/dbraw/zinc/51/77/30/947517730.db2.gz RHEZCRCXJRHFFJ-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)S(C)(=O)=O ZINC001573604806 947518628 /nfs/dbraw/zinc/51/86/28/947518628.db2.gz VVPKRAWLYNNLHA-SECBINFHSA-N -1 3 383.434 -0.842 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)S(C)(=O)=O ZINC001573604806 947518625 /nfs/dbraw/zinc/51/86/25/947518625.db2.gz VVPKRAWLYNNLHA-SECBINFHSA-N -1 3 383.434 -0.842 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)S(C)(=O)=O ZINC001573604807 947517346 /nfs/dbraw/zinc/51/73/46/947517346.db2.gz VVPKRAWLYNNLHA-VIFPVBQESA-N -1 3 383.434 -0.842 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)S(C)(=O)=O ZINC001573604807 947517339 /nfs/dbraw/zinc/51/73/39/947517339.db2.gz VVPKRAWLYNNLHA-VIFPVBQESA-N -1 3 383.434 -0.842 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCC(=O)N1 ZINC001573604895 947520929 /nfs/dbraw/zinc/52/09/29/947520929.db2.gz YBHSVUXLWSTHQI-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCC(=O)N1 ZINC001573604895 947520919 /nfs/dbraw/zinc/52/09/19/947520919.db2.gz YBHSVUXLWSTHQI-CMPLNLGQSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCC(=O)N1 ZINC001573604897 947521511 /nfs/dbraw/zinc/52/15/11/947521511.db2.gz YBHSVUXLWSTHQI-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCC(=O)N1 ZINC001573604897 947521500 /nfs/dbraw/zinc/52/15/00/947521500.db2.gz YBHSVUXLWSTHQI-JQWIXIFHSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCC(=O)N1 ZINC001573604899 947521074 /nfs/dbraw/zinc/52/10/74/947521074.db2.gz YBHSVUXLWSTHQI-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCC(=O)N1 ZINC001573604899 947521062 /nfs/dbraw/zinc/52/10/62/947521062.db2.gz YBHSVUXLWSTHQI-PWSUYJOCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCC(=O)N1 ZINC001573604901 947519937 /nfs/dbraw/zinc/51/99/37/947519937.db2.gz YBHSVUXLWSTHQI-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCC(=O)N1 ZINC001573604901 947519930 /nfs/dbraw/zinc/51/99/30/947519930.db2.gz YBHSVUXLWSTHQI-ZYHUDNBSSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573605016 947520836 /nfs/dbraw/zinc/52/08/36/947520836.db2.gz SMFNUOPFQURSTQ-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573605016 947520826 /nfs/dbraw/zinc/52/08/26/947520826.db2.gz SMFNUOPFQURSTQ-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573605017 947521026 /nfs/dbraw/zinc/52/10/26/947521026.db2.gz SMFNUOPFQURSTQ-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N(CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573605017 947521016 /nfs/dbraw/zinc/52/10/16/947521016.db2.gz SMFNUOPFQURSTQ-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573605052 947522831 /nfs/dbraw/zinc/52/28/31/947522831.db2.gz UCXCEKQIKIYQAI-LLVKDONJSA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573605052 947522821 /nfs/dbraw/zinc/52/28/21/947522821.db2.gz UCXCEKQIKIYQAI-LLVKDONJSA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573605053 947522926 /nfs/dbraw/zinc/52/29/26/947522926.db2.gz UCXCEKQIKIYQAI-NSHDSACASA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573605053 947522921 /nfs/dbraw/zinc/52/29/21/947522921.db2.gz UCXCEKQIKIYQAI-NSHDSACASA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573606945 947536403 /nfs/dbraw/zinc/53/64/03/947536403.db2.gz AZZSPMNCEPLBNY-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573606945 947536394 /nfs/dbraw/zinc/53/63/94/947536394.db2.gz AZZSPMNCEPLBNY-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573606946 947535968 /nfs/dbraw/zinc/53/59/68/947535968.db2.gz AZZSPMNCEPLBNY-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573606946 947535955 /nfs/dbraw/zinc/53/59/55/947535955.db2.gz AZZSPMNCEPLBNY-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573606967 947536135 /nfs/dbraw/zinc/53/61/35/947536135.db2.gz BLGVIBDFUCHFBK-BXKDBHETSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573606967 947536120 /nfs/dbraw/zinc/53/61/20/947536120.db2.gz BLGVIBDFUCHFBK-BXKDBHETSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573606968 947536589 /nfs/dbraw/zinc/53/65/89/947536589.db2.gz BLGVIBDFUCHFBK-CABZTGNLSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573606968 947536581 /nfs/dbraw/zinc/53/65/81/947536581.db2.gz BLGVIBDFUCHFBK-CABZTGNLSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573606969 947536751 /nfs/dbraw/zinc/53/67/51/947536751.db2.gz BLGVIBDFUCHFBK-JOYOIKCWSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573606969 947536741 /nfs/dbraw/zinc/53/67/41/947536741.db2.gz BLGVIBDFUCHFBK-JOYOIKCWSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573606970 947536320 /nfs/dbraw/zinc/53/63/20/947536320.db2.gz BLGVIBDFUCHFBK-SKDRFNHKSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573606970 947536308 /nfs/dbraw/zinc/53/63/08/947536308.db2.gz BLGVIBDFUCHFBK-SKDRFNHKSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001573607087 947538741 /nfs/dbraw/zinc/53/87/41/947538741.db2.gz FJOBIGYPAHIRPU-AAEUAGOBSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573607087 947538729 /nfs/dbraw/zinc/53/87/29/947538729.db2.gz FJOBIGYPAHIRPU-AAEUAGOBSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[C@H]1CCC(=O)N1 ZINC001573607088 947539122 /nfs/dbraw/zinc/53/91/22/947539122.db2.gz FJOBIGYPAHIRPU-DGCLKSJQSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573607088 947539115 /nfs/dbraw/zinc/53/91/15/947539115.db2.gz FJOBIGYPAHIRPU-DGCLKSJQSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[C@H]1CCC(=O)N1 ZINC001573607089 947537992 /nfs/dbraw/zinc/53/79/92/947537992.db2.gz FJOBIGYPAHIRPU-WCQYABFASA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)[C@H]1CCC(=O)N1 ZINC001573607089 947537975 /nfs/dbraw/zinc/53/79/75/947537975.db2.gz FJOBIGYPAHIRPU-WCQYABFASA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1)[C@@H]1CCC(=O)N1 ZINC001573607090 947538998 /nfs/dbraw/zinc/53/89/98/947538998.db2.gz FJOBIGYPAHIRPU-YPMHNXCESA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1)[C@@H]1CCC(=O)N1 ZINC001573607090 947538991 /nfs/dbraw/zinc/53/89/91/947538991.db2.gz FJOBIGYPAHIRPU-YPMHNXCESA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H](C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)N1CCCCC1=O ZINC001573607095 947537880 /nfs/dbraw/zinc/53/78/80/947537880.db2.gz FLNTYVNKLBPFGB-JTQLQIEISA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H](C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)N1CCCCC1=O ZINC001573607095 947537872 /nfs/dbraw/zinc/53/78/72/947537872.db2.gz FLNTYVNKLBPFGB-JTQLQIEISA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H](C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)N1CCCCC1=O ZINC001573607096 947540247 /nfs/dbraw/zinc/54/02/47/947540247.db2.gz FLNTYVNKLBPFGB-SNVBAGLBSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H](C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)N1CCCCC1=O ZINC001573607096 947540242 /nfs/dbraw/zinc/54/02/42/947540242.db2.gz FLNTYVNKLBPFGB-SNVBAGLBSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H](C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)N1CCCCC1=O ZINC001573607097 947540991 /nfs/dbraw/zinc/54/09/91/947540991.db2.gz FLWNXGIFIGUTNB-JTQLQIEISA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H](C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)N1CCCCC1=O ZINC001573607097 947540981 /nfs/dbraw/zinc/54/09/81/947540981.db2.gz FLWNXGIFIGUTNB-JTQLQIEISA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H](C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)N1CCCCC1=O ZINC001573607098 947541299 /nfs/dbraw/zinc/54/12/99/947541299.db2.gz FLWNXGIFIGUTNB-SNVBAGLBSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H](C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)N1CCCCC1=O ZINC001573607098 947541286 /nfs/dbraw/zinc/54/12/86/947541286.db2.gz FLWNXGIFIGUTNB-SNVBAGLBSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573607143 947539848 /nfs/dbraw/zinc/53/98/48/947539848.db2.gz FYRPNJCUKRACEV-JTQLQIEISA-N -1 3 381.400 -0.023 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573607143 947539838 /nfs/dbraw/zinc/53/98/38/947539838.db2.gz FYRPNJCUKRACEV-JTQLQIEISA-N -1 3 381.400 -0.023 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573607144 947540660 /nfs/dbraw/zinc/54/06/60/947540660.db2.gz FYRPNJCUKRACEV-SNVBAGLBSA-N -1 3 381.400 -0.023 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573607144 947540650 /nfs/dbraw/zinc/54/06/50/947540650.db2.gz FYRPNJCUKRACEV-SNVBAGLBSA-N -1 3 381.400 -0.023 20 0 GBADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573607179 947542351 /nfs/dbraw/zinc/54/23/51/947542351.db2.gz GOCJUNKLLDZFMK-BXKDBHETSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573607179 947542345 /nfs/dbraw/zinc/54/23/45/947542345.db2.gz GOCJUNKLLDZFMK-BXKDBHETSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573607180 947542243 /nfs/dbraw/zinc/54/22/43/947542243.db2.gz GOCJUNKLLDZFMK-CABZTGNLSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573607180 947542234 /nfs/dbraw/zinc/54/22/34/947542234.db2.gz GOCJUNKLLDZFMK-CABZTGNLSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573607181 947542823 /nfs/dbraw/zinc/54/28/23/947542823.db2.gz GOCJUNKLLDZFMK-JOYOIKCWSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573607181 947542816 /nfs/dbraw/zinc/54/28/16/947542816.db2.gz GOCJUNKLLDZFMK-JOYOIKCWSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573607182 947543380 /nfs/dbraw/zinc/54/33/80/947543380.db2.gz GOCJUNKLLDZFMK-SKDRFNHKSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573607182 947543371 /nfs/dbraw/zinc/54/33/71/947543371.db2.gz GOCJUNKLLDZFMK-SKDRFNHKSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001573607197 947543347 /nfs/dbraw/zinc/54/33/47/947543347.db2.gz GXAOVPDHQHFFQM-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001573607197 947543336 /nfs/dbraw/zinc/54/33/36/947543336.db2.gz GXAOVPDHQHFFQM-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccnn1C ZINC001573607198 947543114 /nfs/dbraw/zinc/54/31/14/947543114.db2.gz GXAOVPDHQHFFQM-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccnn1C ZINC001573607198 947543105 /nfs/dbraw/zinc/54/31/05/947543105.db2.gz GXAOVPDHQHFFQM-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)N1CCCCC1=O ZINC001573607235 947542885 /nfs/dbraw/zinc/54/28/85/947542885.db2.gz HTBLELDJOUUYFX-JTQLQIEISA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H](C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)N1CCCCC1=O ZINC001573607235 947542881 /nfs/dbraw/zinc/54/28/81/947542881.db2.gz HTBLELDJOUUYFX-JTQLQIEISA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H](C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)N1CCCCC1=O ZINC001573607236 947542448 /nfs/dbraw/zinc/54/24/48/947542448.db2.gz HTBLELDJOUUYFX-SNVBAGLBSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H](C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)N1CCCCC1=O ZINC001573607236 947542441 /nfs/dbraw/zinc/54/24/41/947542441.db2.gz HTBLELDJOUUYFX-SNVBAGLBSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573607239 947542921 /nfs/dbraw/zinc/54/29/21/947542921.db2.gz HXEWWZDREBUPFK-JTQLQIEISA-N -1 3 381.400 -0.023 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573607239 947542911 /nfs/dbraw/zinc/54/29/11/947542911.db2.gz HXEWWZDREBUPFK-JTQLQIEISA-N -1 3 381.400 -0.023 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cncnc1 ZINC001573607240 947543259 /nfs/dbraw/zinc/54/32/59/947543259.db2.gz HXEWWZDREBUPFK-SNVBAGLBSA-N -1 3 381.400 -0.023 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cncnc1 ZINC001573607240 947543250 /nfs/dbraw/zinc/54/32/50/947543250.db2.gz HXEWWZDREBUPFK-SNVBAGLBSA-N -1 3 381.400 -0.023 20 0 GBADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573607674 947551479 /nfs/dbraw/zinc/55/14/79/947551479.db2.gz REBLUDULBGSWDC-GXSJLCMTSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573607674 947551474 /nfs/dbraw/zinc/55/14/74/947551474.db2.gz REBLUDULBGSWDC-GXSJLCMTSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573607675 947550578 /nfs/dbraw/zinc/55/05/78/947550578.db2.gz REBLUDULBGSWDC-KOLCDFICSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573607675 947550572 /nfs/dbraw/zinc/55/05/72/947550572.db2.gz REBLUDULBGSWDC-KOLCDFICSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573607676 947553889 /nfs/dbraw/zinc/55/38/89/947553889.db2.gz REBLUDULBGSWDC-MWLCHTKSSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573607676 947553885 /nfs/dbraw/zinc/55/38/85/947553885.db2.gz REBLUDULBGSWDC-MWLCHTKSSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573607677 947552875 /nfs/dbraw/zinc/55/28/75/947552875.db2.gz REBLUDULBGSWDC-ONGXEEELSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573607677 947552867 /nfs/dbraw/zinc/55/28/67/947552867.db2.gz REBLUDULBGSWDC-ONGXEEELSA-N -1 3 386.416 -0.608 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cncnc1 ZINC001573608030 947555294 /nfs/dbraw/zinc/55/52/94/947555294.db2.gz UPJLRYWSNXSLRC-JTQLQIEISA-N -1 3 381.400 -0.023 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cncnc1 ZINC001573608030 947555285 /nfs/dbraw/zinc/55/52/85/947555285.db2.gz UPJLRYWSNXSLRC-JTQLQIEISA-N -1 3 381.400 -0.023 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cncnc1 ZINC001573608031 947554866 /nfs/dbraw/zinc/55/48/66/947554866.db2.gz UPJLRYWSNXSLRC-SNVBAGLBSA-N -1 3 381.400 -0.023 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cncnc1 ZINC001573608031 947554860 /nfs/dbraw/zinc/55/48/60/947554860.db2.gz UPJLRYWSNXSLRC-SNVBAGLBSA-N -1 3 381.400 -0.023 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573608244 947558347 /nfs/dbraw/zinc/55/83/47/947558347.db2.gz XAAYMGIPNBARED-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573608244 947558339 /nfs/dbraw/zinc/55/83/39/947558339.db2.gz XAAYMGIPNBARED-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccnn1C ZINC001573608245 947558478 /nfs/dbraw/zinc/55/84/78/947558478.db2.gz XAAYMGIPNBARED-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccnn1C ZINC001573608245 947558474 /nfs/dbraw/zinc/55/84/74/947558474.db2.gz XAAYMGIPNBARED-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573608246 947558615 /nfs/dbraw/zinc/55/86/15/947558615.db2.gz XACBLNWUWORFQB-GXSJLCMTSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573608246 947558609 /nfs/dbraw/zinc/55/86/09/947558609.db2.gz XACBLNWUWORFQB-GXSJLCMTSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573608247 947559421 /nfs/dbraw/zinc/55/94/21/947559421.db2.gz XACBLNWUWORFQB-KOLCDFICSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573608247 947559411 /nfs/dbraw/zinc/55/94/11/947559411.db2.gz XACBLNWUWORFQB-KOLCDFICSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573608248 947558639 /nfs/dbraw/zinc/55/86/39/947558639.db2.gz XACBLNWUWORFQB-MWLCHTKSSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573608248 947558633 /nfs/dbraw/zinc/55/86/33/947558633.db2.gz XACBLNWUWORFQB-MWLCHTKSSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573608249 947559000 /nfs/dbraw/zinc/55/90/00/947559000.db2.gz XACBLNWUWORFQB-ONGXEEELSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573608249 947558995 /nfs/dbraw/zinc/55/89/95/947558995.db2.gz XACBLNWUWORFQB-ONGXEEELSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573608250 947558724 /nfs/dbraw/zinc/55/87/24/947558724.db2.gz XBMOELURZUSKJH-BXKDBHETSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573608250 947558716 /nfs/dbraw/zinc/55/87/16/947558716.db2.gz XBMOELURZUSKJH-BXKDBHETSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573608251 947558138 /nfs/dbraw/zinc/55/81/38/947558138.db2.gz XBMOELURZUSKJH-CABZTGNLSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573608251 947558128 /nfs/dbraw/zinc/55/81/28/947558128.db2.gz XBMOELURZUSKJH-CABZTGNLSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573608252 947559114 /nfs/dbraw/zinc/55/91/14/947559114.db2.gz XBMOELURZUSKJH-JOYOIKCWSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573608252 947559109 /nfs/dbraw/zinc/55/91/09/947559109.db2.gz XBMOELURZUSKJH-JOYOIKCWSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573608253 947559377 /nfs/dbraw/zinc/55/93/77/947559377.db2.gz XBMOELURZUSKJH-SKDRFNHKSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573608253 947559366 /nfs/dbraw/zinc/55/93/66/947559366.db2.gz XBMOELURZUSKJH-SKDRFNHKSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001573608271 947558843 /nfs/dbraw/zinc/55/88/43/947558843.db2.gz XIWGJGOLMXHQGF-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001573608271 947558834 /nfs/dbraw/zinc/55/88/34/947558834.db2.gz XIWGJGOLMXHQGF-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccnn1C ZINC001573608272 947559072 /nfs/dbraw/zinc/55/90/72/947559072.db2.gz XIWGJGOLMXHQGF-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccnn1C ZINC001573608272 947559064 /nfs/dbraw/zinc/55/90/64/947559064.db2.gz XIWGJGOLMXHQGF-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573608349 947560311 /nfs/dbraw/zinc/56/03/11/947560311.db2.gz YUSUECDYFYDWIX-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573608349 947560303 /nfs/dbraw/zinc/56/03/03/947560303.db2.gz YUSUECDYFYDWIX-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573608351 947561500 /nfs/dbraw/zinc/56/15/00/947561500.db2.gz YUSUECDYFYDWIX-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573608351 947561492 /nfs/dbraw/zinc/56/14/92/947561492.db2.gz YUSUECDYFYDWIX-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573613464 947562686 /nfs/dbraw/zinc/56/26/86/947562686.db2.gz ATWFNMNIPPDVAG-LLVKDONJSA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573613464 947562683 /nfs/dbraw/zinc/56/26/83/947562683.db2.gz ATWFNMNIPPDVAG-LLVKDONJSA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573613465 947562660 /nfs/dbraw/zinc/56/26/60/947562660.db2.gz ATWFNMNIPPDVAG-NSHDSACASA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573613465 947562656 /nfs/dbraw/zinc/56/26/56/947562656.db2.gz ATWFNMNIPPDVAG-NSHDSACASA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573613579 947565215 /nfs/dbraw/zinc/56/52/15/947565215.db2.gz CVOZPQMHMBXDLM-SSDOTTSWSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573613579 947565207 /nfs/dbraw/zinc/56/52/07/947565207.db2.gz CVOZPQMHMBXDLM-SSDOTTSWSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573613580 947564967 /nfs/dbraw/zinc/56/49/67/947564967.db2.gz CVOZPQMHMBXDLM-ZETCQYMHSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573613580 947564960 /nfs/dbraw/zinc/56/49/60/947564960.db2.gz CVOZPQMHMBXDLM-ZETCQYMHSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573613865 947572713 /nfs/dbraw/zinc/57/27/13/947572713.db2.gz AVKSOHMMCUWKAS-HWPZZCPQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573613865 947572708 /nfs/dbraw/zinc/57/27/08/947572708.db2.gz AVKSOHMMCUWKAS-HWPZZCPQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573613866 947573837 /nfs/dbraw/zinc/57/38/37/947573837.db2.gz AVKSOHMMCUWKAS-MGPLVRAMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573613866 947573829 /nfs/dbraw/zinc/57/38/29/947573829.db2.gz AVKSOHMMCUWKAS-MGPLVRAMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573613867 947574482 /nfs/dbraw/zinc/57/44/82/947574482.db2.gz AVKSOHMMCUWKAS-QFYYESIMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573613867 947574466 /nfs/dbraw/zinc/57/44/66/947574466.db2.gz AVKSOHMMCUWKAS-QFYYESIMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573613868 947573924 /nfs/dbraw/zinc/57/39/24/947573924.db2.gz AVKSOHMMCUWKAS-QLJPJBMISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573613868 947573916 /nfs/dbraw/zinc/57/39/16/947573916.db2.gz AVKSOHMMCUWKAS-QLJPJBMISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573614161 947577549 /nfs/dbraw/zinc/57/75/49/947577549.db2.gz LIXHJJBROSQKNC-SSDOTTSWSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573614161 947577540 /nfs/dbraw/zinc/57/75/40/947577540.db2.gz LIXHJJBROSQKNC-SSDOTTSWSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573614163 947577390 /nfs/dbraw/zinc/57/73/90/947577390.db2.gz LIXHJJBROSQKNC-ZETCQYMHSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573614163 947577382 /nfs/dbraw/zinc/57/73/82/947577382.db2.gz LIXHJJBROSQKNC-ZETCQYMHSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(F)F ZINC001573614345 947582714 /nfs/dbraw/zinc/58/27/14/947582714.db2.gz MBWPHXOAFAHYHG-MRVPVSSYSA-N -1 3 383.359 -0.211 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(F)F ZINC001573614345 947582708 /nfs/dbraw/zinc/58/27/08/947582708.db2.gz MBWPHXOAFAHYHG-MRVPVSSYSA-N -1 3 383.359 -0.211 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(F)F ZINC001573614348 947582635 /nfs/dbraw/zinc/58/26/35/947582635.db2.gz MBWPHXOAFAHYHG-QMMMGPOBSA-N -1 3 383.359 -0.211 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(F)F ZINC001573614348 947582624 /nfs/dbraw/zinc/58/26/24/947582624.db2.gz MBWPHXOAFAHYHG-QMMMGPOBSA-N -1 3 383.359 -0.211 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001573614471 947585564 /nfs/dbraw/zinc/58/55/64/947585564.db2.gz MGCNRMMYFAJWPQ-GWCFXTLKSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001573614471 947585554 /nfs/dbraw/zinc/58/55/54/947585554.db2.gz MGCNRMMYFAJWPQ-GWCFXTLKSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001573614473 947586307 /nfs/dbraw/zinc/58/63/07/947586307.db2.gz MGCNRMMYFAJWPQ-GXFFZTMASA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001573614473 947586302 /nfs/dbraw/zinc/58/63/02/947586302.db2.gz MGCNRMMYFAJWPQ-GXFFZTMASA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCCO1 ZINC001573614475 947585219 /nfs/dbraw/zinc/58/52/19/947585219.db2.gz MGCNRMMYFAJWPQ-MFKMUULPSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCCO1 ZINC001573614475 947585207 /nfs/dbraw/zinc/58/52/07/947585207.db2.gz MGCNRMMYFAJWPQ-MFKMUULPSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCCO1 ZINC001573614477 947585938 /nfs/dbraw/zinc/58/59/38/947585938.db2.gz MGCNRMMYFAJWPQ-ZWNOBZJWSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCCO1 ZINC001573614477 947585929 /nfs/dbraw/zinc/58/59/29/947585929.db2.gz MGCNRMMYFAJWPQ-ZWNOBZJWSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573614593 947588605 /nfs/dbraw/zinc/58/86/05/947588605.db2.gz NEIVXSUVKXBVBK-LLVKDONJSA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573614593 947588600 /nfs/dbraw/zinc/58/86/00/947588600.db2.gz NEIVXSUVKXBVBK-LLVKDONJSA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573614595 947588520 /nfs/dbraw/zinc/58/85/20/947588520.db2.gz NEIVXSUVKXBVBK-NSHDSACASA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573614595 947588515 /nfs/dbraw/zinc/58/85/15/947588515.db2.gz NEIVXSUVKXBVBK-NSHDSACASA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001573614602 947588624 /nfs/dbraw/zinc/58/86/24/947588624.db2.gz NJPCDHOZNFYDJD-GWCFXTLKSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001573614602 947588617 /nfs/dbraw/zinc/58/86/17/947588617.db2.gz NJPCDHOZNFYDJD-GWCFXTLKSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001573614603 947587566 /nfs/dbraw/zinc/58/75/66/947587566.db2.gz NJPCDHOZNFYDJD-GXFFZTMASA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001573614603 947587555 /nfs/dbraw/zinc/58/75/55/947587555.db2.gz NJPCDHOZNFYDJD-GXFFZTMASA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001573614604 947588661 /nfs/dbraw/zinc/58/86/61/947588661.db2.gz NJPCDHOZNFYDJD-MFKMUULPSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCCO1 ZINC001573614604 947588660 /nfs/dbraw/zinc/58/86/60/947588660.db2.gz NJPCDHOZNFYDJD-MFKMUULPSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCCO1 ZINC001573614605 947587847 /nfs/dbraw/zinc/58/78/47/947587847.db2.gz NJPCDHOZNFYDJD-ZWNOBZJWSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCCO1 ZINC001573614605 947587835 /nfs/dbraw/zinc/58/78/35/947587835.db2.gz NJPCDHOZNFYDJD-ZWNOBZJWSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cncn1 ZINC001573614841 947593407 /nfs/dbraw/zinc/59/34/07/947593407.db2.gz AEYCQKWGKHWZII-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cncn1 ZINC001573614841 947593400 /nfs/dbraw/zinc/59/34/00/947593400.db2.gz AEYCQKWGKHWZII-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cncn1 ZINC001573614842 947593132 /nfs/dbraw/zinc/59/31/32/947593132.db2.gz AEYCQKWGKHWZII-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cncn1 ZINC001573614842 947593128 /nfs/dbraw/zinc/59/31/28/947593128.db2.gz AEYCQKWGKHWZII-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cncn1 ZINC001573614863 947595796 /nfs/dbraw/zinc/59/57/96/947595796.db2.gz APSNZULPBUBGCW-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cncn1 ZINC001573614863 947595788 /nfs/dbraw/zinc/59/57/88/947595788.db2.gz APSNZULPBUBGCW-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cncn1 ZINC001573614864 947596476 /nfs/dbraw/zinc/59/64/76/947596476.db2.gz APSNZULPBUBGCW-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cncn1 ZINC001573614864 947596469 /nfs/dbraw/zinc/59/64/69/947596469.db2.gz APSNZULPBUBGCW-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573615235 947602932 /nfs/dbraw/zinc/60/29/32/947602932.db2.gz JKSSWYDZSPUBBW-HWPZZCPQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573615235 947602925 /nfs/dbraw/zinc/60/29/25/947602925.db2.gz JKSSWYDZSPUBBW-HWPZZCPQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573615236 947601559 /nfs/dbraw/zinc/60/15/59/947601559.db2.gz JKSSWYDZSPUBBW-MGPLVRAMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573615236 947601552 /nfs/dbraw/zinc/60/15/52/947601552.db2.gz JKSSWYDZSPUBBW-MGPLVRAMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573615238 947602851 /nfs/dbraw/zinc/60/28/51/947602851.db2.gz JKSSWYDZSPUBBW-QFYYESIMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573615238 947602848 /nfs/dbraw/zinc/60/28/48/947602848.db2.gz JKSSWYDZSPUBBW-QFYYESIMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573615240 947602203 /nfs/dbraw/zinc/60/22/03/947602203.db2.gz JKSSWYDZSPUBBW-QLJPJBMISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573615240 947602194 /nfs/dbraw/zinc/60/21/94/947602194.db2.gz JKSSWYDZSPUBBW-QLJPJBMISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(F)F ZINC001573615475 947604520 /nfs/dbraw/zinc/60/45/20/947604520.db2.gz ROUNHCIORGZMAP-MRVPVSSYSA-N -1 3 383.359 -0.211 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(F)F ZINC001573615475 947604512 /nfs/dbraw/zinc/60/45/12/947604512.db2.gz ROUNHCIORGZMAP-MRVPVSSYSA-N -1 3 383.359 -0.211 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(C)(F)F ZINC001573615476 947604752 /nfs/dbraw/zinc/60/47/52/947604752.db2.gz ROUNHCIORGZMAP-QMMMGPOBSA-N -1 3 383.359 -0.211 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(C)(F)F ZINC001573615476 947604742 /nfs/dbraw/zinc/60/47/42/947604742.db2.gz ROUNHCIORGZMAP-QMMMGPOBSA-N -1 3 383.359 -0.211 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573615522 947607108 /nfs/dbraw/zinc/60/71/08/947607108.db2.gz SASUOOYJQGNTMY-GWCFXTLKSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573615522 947607102 /nfs/dbraw/zinc/60/71/02/947607102.db2.gz SASUOOYJQGNTMY-GWCFXTLKSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001573615524 947606715 /nfs/dbraw/zinc/60/67/15/947606715.db2.gz SASUOOYJQGNTMY-GXFFZTMASA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001573615524 947606709 /nfs/dbraw/zinc/60/67/09/947606709.db2.gz SASUOOYJQGNTMY-GXFFZTMASA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573615525 947607182 /nfs/dbraw/zinc/60/71/82/947607182.db2.gz SASUOOYJQGNTMY-MFKMUULPSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573615525 947607178 /nfs/dbraw/zinc/60/71/78/947607178.db2.gz SASUOOYJQGNTMY-MFKMUULPSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001573615527 947606509 /nfs/dbraw/zinc/60/65/09/947606509.db2.gz SASUOOYJQGNTMY-ZWNOBZJWSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001573615527 947606500 /nfs/dbraw/zinc/60/65/00/947606500.db2.gz SASUOOYJQGNTMY-ZWNOBZJWSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573615662 947609141 /nfs/dbraw/zinc/60/91/41/947609141.db2.gz FQOYDRDOVSSNQE-GHMZBOCLSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573615662 947609135 /nfs/dbraw/zinc/60/91/35/947609135.db2.gz FQOYDRDOVSSNQE-GHMZBOCLSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573615664 947608964 /nfs/dbraw/zinc/60/89/64/947608964.db2.gz FQOYDRDOVSSNQE-MNOVXSKESA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573615664 947608955 /nfs/dbraw/zinc/60/89/55/947608955.db2.gz FQOYDRDOVSSNQE-MNOVXSKESA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573615666 947608082 /nfs/dbraw/zinc/60/80/82/947608082.db2.gz FQOYDRDOVSSNQE-QWRGUYRKSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573615666 947608075 /nfs/dbraw/zinc/60/80/75/947608075.db2.gz FQOYDRDOVSSNQE-QWRGUYRKSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573615668 947609265 /nfs/dbraw/zinc/60/92/65/947609265.db2.gz FQOYDRDOVSSNQE-WDEREUQCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573615668 947609260 /nfs/dbraw/zinc/60/92/60/947609260.db2.gz FQOYDRDOVSSNQE-WDEREUQCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccco1 ZINC001573616021 947614545 /nfs/dbraw/zinc/61/45/45/947614545.db2.gz USWBGASYDAZHPO-JTQLQIEISA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccco1 ZINC001573616021 947614537 /nfs/dbraw/zinc/61/45/37/947614537.db2.gz USWBGASYDAZHPO-JTQLQIEISA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccco1 ZINC001573616024 947615867 /nfs/dbraw/zinc/61/58/67/947615867.db2.gz USWBGASYDAZHPO-SNVBAGLBSA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccco1 ZINC001573616024 947615861 /nfs/dbraw/zinc/61/58/61/947615861.db2.gz USWBGASYDAZHPO-SNVBAGLBSA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573616052 947614574 /nfs/dbraw/zinc/61/45/74/947614574.db2.gz UWAGAYOJAUTDFL-SSDOTTSWSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573616052 947614562 /nfs/dbraw/zinc/61/45/62/947614562.db2.gz UWAGAYOJAUTDFL-SSDOTTSWSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573616056 947615805 /nfs/dbraw/zinc/61/58/05/947615805.db2.gz UWAGAYOJAUTDFL-ZETCQYMHSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573616056 947615798 /nfs/dbraw/zinc/61/57/98/947615798.db2.gz UWAGAYOJAUTDFL-ZETCQYMHSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccco1 ZINC001573616493 947623674 /nfs/dbraw/zinc/62/36/74/947623674.db2.gz WROAKQBVTKEKEH-JTQLQIEISA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccco1 ZINC001573616493 947623660 /nfs/dbraw/zinc/62/36/60/947623660.db2.gz WROAKQBVTKEKEH-JTQLQIEISA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccco1 ZINC001573616496 947623626 /nfs/dbraw/zinc/62/36/26/947623626.db2.gz WROAKQBVTKEKEH-SNVBAGLBSA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@@H](C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccco1 ZINC001573616496 947623619 /nfs/dbraw/zinc/62/36/19/947623619.db2.gz WROAKQBVTKEKEH-SNVBAGLBSA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573616572 947625259 /nfs/dbraw/zinc/62/52/59/947625259.db2.gz XNZSEQGFEIFPEC-RTXFEEFZSA-N -1 3 391.457 -0.126 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573616572 947625254 /nfs/dbraw/zinc/62/52/54/947625254.db2.gz XNZSEQGFEIFPEC-RTXFEEFZSA-N -1 3 391.457 -0.126 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573616575 947625159 /nfs/dbraw/zinc/62/51/59/947625159.db2.gz XNZSEQGFEIFPEC-WCFLWFBJSA-N -1 3 391.457 -0.126 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573616575 947625156 /nfs/dbraw/zinc/62/51/56/947625156.db2.gz XNZSEQGFEIFPEC-WCFLWFBJSA-N -1 3 391.457 -0.126 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573616893 947629401 /nfs/dbraw/zinc/62/94/01/947629401.db2.gz JSEIYLXFULUOBB-CMPLNLGQSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573616893 947629392 /nfs/dbraw/zinc/62/93/92/947629392.db2.gz JSEIYLXFULUOBB-CMPLNLGQSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573616896 947629496 /nfs/dbraw/zinc/62/94/96/947629496.db2.gz JSEIYLXFULUOBB-JQWIXIFHSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573616896 947629489 /nfs/dbraw/zinc/62/94/89/947629489.db2.gz JSEIYLXFULUOBB-JQWIXIFHSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573616899 947629939 /nfs/dbraw/zinc/62/99/39/947629939.db2.gz JSEIYLXFULUOBB-PWSUYJOCSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573616899 947629938 /nfs/dbraw/zinc/62/99/38/947629938.db2.gz JSEIYLXFULUOBB-PWSUYJOCSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573616903 947628892 /nfs/dbraw/zinc/62/88/92/947628892.db2.gz JSEIYLXFULUOBB-ZYHUDNBSSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573616903 947628886 /nfs/dbraw/zinc/62/88/86/947628886.db2.gz JSEIYLXFULUOBB-ZYHUDNBSSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573617332 947634744 /nfs/dbraw/zinc/63/47/44/947634744.db2.gz OVYWECLNKRIZBT-GHMZBOCLSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573617332 947634733 /nfs/dbraw/zinc/63/47/33/947634733.db2.gz OVYWECLNKRIZBT-GHMZBOCLSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573617336 947633594 /nfs/dbraw/zinc/63/35/94/947633594.db2.gz OVYWECLNKRIZBT-MNOVXSKESA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573617336 947633582 /nfs/dbraw/zinc/63/35/82/947633582.db2.gz OVYWECLNKRIZBT-MNOVXSKESA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573617340 947634612 /nfs/dbraw/zinc/63/46/12/947634612.db2.gz OVYWECLNKRIZBT-QWRGUYRKSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573617340 947634608 /nfs/dbraw/zinc/63/46/08/947634608.db2.gz OVYWECLNKRIZBT-QWRGUYRKSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573617345 947633249 /nfs/dbraw/zinc/63/32/49/947633249.db2.gz OVYWECLNKRIZBT-WDEREUQCSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573617345 947633243 /nfs/dbraw/zinc/63/32/43/947633243.db2.gz OVYWECLNKRIZBT-WDEREUQCSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573617360 947633290 /nfs/dbraw/zinc/63/32/90/947633290.db2.gz LISCEZTZBFGVSI-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573617360 947633277 /nfs/dbraw/zinc/63/32/77/947633277.db2.gz LISCEZTZBFGVSI-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573617364 947633338 /nfs/dbraw/zinc/63/33/38/947633338.db2.gz LISCEZTZBFGVSI-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573617364 947633330 /nfs/dbraw/zinc/63/33/30/947633330.db2.gz LISCEZTZBFGVSI-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573617368 947634133 /nfs/dbraw/zinc/63/41/33/947634133.db2.gz LISCEZTZBFGVSI-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573617368 947634127 /nfs/dbraw/zinc/63/41/27/947634127.db2.gz LISCEZTZBFGVSI-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573617372 947633814 /nfs/dbraw/zinc/63/38/14/947633814.db2.gz LISCEZTZBFGVSI-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573617372 947633807 /nfs/dbraw/zinc/63/38/07/947633807.db2.gz LISCEZTZBFGVSI-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573617515 947638150 /nfs/dbraw/zinc/63/81/50/947638150.db2.gz PMSSMPBMSOEHIS-GHMZBOCLSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573617515 947638142 /nfs/dbraw/zinc/63/81/42/947638142.db2.gz PMSSMPBMSOEHIS-GHMZBOCLSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573617517 947638393 /nfs/dbraw/zinc/63/83/93/947638393.db2.gz PMSSMPBMSOEHIS-MNOVXSKESA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573617517 947638390 /nfs/dbraw/zinc/63/83/90/947638390.db2.gz PMSSMPBMSOEHIS-MNOVXSKESA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573617519 947639375 /nfs/dbraw/zinc/63/93/75/947639375.db2.gz PMSSMPBMSOEHIS-QWRGUYRKSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573617519 947639369 /nfs/dbraw/zinc/63/93/69/947639369.db2.gz PMSSMPBMSOEHIS-QWRGUYRKSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573617521 947638528 /nfs/dbraw/zinc/63/85/28/947638528.db2.gz PMSSMPBMSOEHIS-WDEREUQCSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573617521 947638523 /nfs/dbraw/zinc/63/85/23/947638523.db2.gz PMSSMPBMSOEHIS-WDEREUQCSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573617530 947639741 /nfs/dbraw/zinc/63/97/41/947639741.db2.gz PQXCXWSREHTVBS-HWPZZCPQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC[C@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573617530 947639736 /nfs/dbraw/zinc/63/97/36/947639736.db2.gz PQXCXWSREHTVBS-HWPZZCPQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573617531 947639665 /nfs/dbraw/zinc/63/96/65/947639665.db2.gz PQXCXWSREHTVBS-MGPLVRAMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573617531 947639659 /nfs/dbraw/zinc/63/96/59/947639659.db2.gz PQXCXWSREHTVBS-MGPLVRAMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573617533 947639576 /nfs/dbraw/zinc/63/95/76/947639576.db2.gz PQXCXWSREHTVBS-QFYYESIMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CC[C@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573617533 947639573 /nfs/dbraw/zinc/63/95/73/947639573.db2.gz PQXCXWSREHTVBS-QFYYESIMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573617535 947638650 /nfs/dbraw/zinc/63/86/50/947638650.db2.gz PQXCXWSREHTVBS-QLJPJBMISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC[C@@](C)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573617535 947638647 /nfs/dbraw/zinc/63/86/47/947638647.db2.gz PQXCXWSREHTVBS-QLJPJBMISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573617894 947644022 /nfs/dbraw/zinc/64/40/22/947644022.db2.gz QFJDHCNENLYHOC-GHMZBOCLSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573617894 947644020 /nfs/dbraw/zinc/64/40/20/947644020.db2.gz QFJDHCNENLYHOC-GHMZBOCLSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573617895 947643509 /nfs/dbraw/zinc/64/35/09/947643509.db2.gz QFJDHCNENLYHOC-MNOVXSKESA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573617895 947643503 /nfs/dbraw/zinc/64/35/03/947643503.db2.gz QFJDHCNENLYHOC-MNOVXSKESA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573617896 947643093 /nfs/dbraw/zinc/64/30/93/947643093.db2.gz QFJDHCNENLYHOC-QWRGUYRKSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573617896 947643085 /nfs/dbraw/zinc/64/30/85/947643085.db2.gz QFJDHCNENLYHOC-QWRGUYRKSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573617897 947644046 /nfs/dbraw/zinc/64/40/46/947644046.db2.gz QFJDHCNENLYHOC-WDEREUQCSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573617897 947644041 /nfs/dbraw/zinc/64/40/41/947644041.db2.gz QFJDHCNENLYHOC-WDEREUQCSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cncn1 ZINC001573617969 947646327 /nfs/dbraw/zinc/64/63/27/947646327.db2.gz NWLRMLJZLIULKU-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cncn1 ZINC001573617969 947646322 /nfs/dbraw/zinc/64/63/22/947646322.db2.gz NWLRMLJZLIULKU-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cncn1 ZINC001573617970 947645085 /nfs/dbraw/zinc/64/50/85/947645085.db2.gz NWLRMLJZLIULKU-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cncn1 ZINC001573617970 947645075 /nfs/dbraw/zinc/64/50/75/947645075.db2.gz NWLRMLJZLIULKU-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573618818 947656112 /nfs/dbraw/zinc/65/61/12/947656112.db2.gz SMDCXDDWXHQPLQ-GHMZBOCLSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573618818 947656109 /nfs/dbraw/zinc/65/61/09/947656109.db2.gz SMDCXDDWXHQPLQ-GHMZBOCLSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573618820 947654647 /nfs/dbraw/zinc/65/46/47/947654647.db2.gz SMDCXDDWXHQPLQ-MNOVXSKESA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573618820 947654634 /nfs/dbraw/zinc/65/46/34/947654634.db2.gz SMDCXDDWXHQPLQ-MNOVXSKESA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](CNc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573618821 947654762 /nfs/dbraw/zinc/65/47/62/947654762.db2.gz SMDCXDDWXHQPLQ-QWRGUYRKSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](CNc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573618821 947654752 /nfs/dbraw/zinc/65/47/52/947654752.db2.gz SMDCXDDWXHQPLQ-QWRGUYRKSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](CNc2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573618823 947654818 /nfs/dbraw/zinc/65/48/18/947654818.db2.gz SMDCXDDWXHQPLQ-WDEREUQCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](CNc2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573618823 947654809 /nfs/dbraw/zinc/65/48/09/947654809.db2.gz SMDCXDDWXHQPLQ-WDEREUQCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573619118 947659706 /nfs/dbraw/zinc/65/97/06/947659706.db2.gz UCUCKXAUSHLYIX-CMPLNLGQSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573619118 947659697 /nfs/dbraw/zinc/65/96/97/947659697.db2.gz UCUCKXAUSHLYIX-CMPLNLGQSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573619120 947660950 /nfs/dbraw/zinc/66/09/50/947660950.db2.gz UCUCKXAUSHLYIX-JQWIXIFHSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573619120 947660947 /nfs/dbraw/zinc/66/09/47/947660947.db2.gz UCUCKXAUSHLYIX-JQWIXIFHSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573619122 947659435 /nfs/dbraw/zinc/65/94/35/947659435.db2.gz UCUCKXAUSHLYIX-PWSUYJOCSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573619122 947659427 /nfs/dbraw/zinc/65/94/27/947659427.db2.gz UCUCKXAUSHLYIX-PWSUYJOCSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573619124 947660914 /nfs/dbraw/zinc/66/09/14/947660914.db2.gz UCUCKXAUSHLYIX-ZYHUDNBSSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573619124 947660911 /nfs/dbraw/zinc/66/09/11/947660911.db2.gz UCUCKXAUSHLYIX-ZYHUDNBSSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573619989 947674643 /nfs/dbraw/zinc/67/46/43/947674643.db2.gz ZILDBPHVSDEWEG-GHMZBOCLSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573619989 947674638 /nfs/dbraw/zinc/67/46/38/947674638.db2.gz ZILDBPHVSDEWEG-GHMZBOCLSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573619990 947673886 /nfs/dbraw/zinc/67/38/86/947673886.db2.gz ZILDBPHVSDEWEG-MNOVXSKESA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](N(C)c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573619990 947673875 /nfs/dbraw/zinc/67/38/75/947673875.db2.gz ZILDBPHVSDEWEG-MNOVXSKESA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573619991 947675065 /nfs/dbraw/zinc/67/50/65/947675065.db2.gz ZILDBPHVSDEWEG-QWRGUYRKSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](N(C)c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573619991 947675057 /nfs/dbraw/zinc/67/50/57/947675057.db2.gz ZILDBPHVSDEWEG-QWRGUYRKSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573619992 947674877 /nfs/dbraw/zinc/67/48/77/947674877.db2.gz ZILDBPHVSDEWEG-WDEREUQCSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H](N(C)c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573619992 947674869 /nfs/dbraw/zinc/67/48/69/947674869.db2.gz ZILDBPHVSDEWEG-WDEREUQCSA-N -1 3 379.446 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573623074 947686374 /nfs/dbraw/zinc/68/63/74/947686374.db2.gz DBOXFSSLHQVWHI-GHMZBOCLSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573623074 947686367 /nfs/dbraw/zinc/68/63/67/947686367.db2.gz DBOXFSSLHQVWHI-GHMZBOCLSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573623077 947686132 /nfs/dbraw/zinc/68/61/32/947686132.db2.gz DBOXFSSLHQVWHI-MNOVXSKESA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573623077 947686127 /nfs/dbraw/zinc/68/61/27/947686127.db2.gz DBOXFSSLHQVWHI-MNOVXSKESA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573623091 947685341 /nfs/dbraw/zinc/68/53/41/947685341.db2.gz DBOXFSSLHQVWHI-QWRGUYRKSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573623091 947685334 /nfs/dbraw/zinc/68/53/34/947685334.db2.gz DBOXFSSLHQVWHI-QWRGUYRKSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573623094 947684980 /nfs/dbraw/zinc/68/49/80/947684980.db2.gz DBOXFSSLHQVWHI-WDEREUQCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573623094 947684970 /nfs/dbraw/zinc/68/49/70/947684970.db2.gz DBOXFSSLHQVWHI-WDEREUQCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573623504 947688569 /nfs/dbraw/zinc/68/85/69/947688569.db2.gz GNZKWRKVFXAQBO-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573623504 947688565 /nfs/dbraw/zinc/68/85/65/947688565.db2.gz GNZKWRKVFXAQBO-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573623506 947688718 /nfs/dbraw/zinc/68/87/18/947688718.db2.gz GNZKWRKVFXAQBO-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573623506 947688711 /nfs/dbraw/zinc/68/87/11/947688711.db2.gz GNZKWRKVFXAQBO-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573623507 947688455 /nfs/dbraw/zinc/68/84/55/947688455.db2.gz GNZKWRKVFXAQBO-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573623507 947688450 /nfs/dbraw/zinc/68/84/50/947688450.db2.gz GNZKWRKVFXAQBO-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573623509 947688236 /nfs/dbraw/zinc/68/82/36/947688236.db2.gz GNZKWRKVFXAQBO-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573623509 947688230 /nfs/dbraw/zinc/68/82/30/947688230.db2.gz GNZKWRKVFXAQBO-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573624000 947691514 /nfs/dbraw/zinc/69/15/14/947691514.db2.gz JGYLBDHWDTWQED-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573624000 947691506 /nfs/dbraw/zinc/69/15/06/947691506.db2.gz JGYLBDHWDTWQED-CMPLNLGQSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573624003 947692207 /nfs/dbraw/zinc/69/22/07/947692207.db2.gz JGYLBDHWDTWQED-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573624003 947692201 /nfs/dbraw/zinc/69/22/01/947692201.db2.gz JGYLBDHWDTWQED-JQWIXIFHSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573624005 947691464 /nfs/dbraw/zinc/69/14/64/947691464.db2.gz JGYLBDHWDTWQED-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573624005 947691456 /nfs/dbraw/zinc/69/14/56/947691456.db2.gz JGYLBDHWDTWQED-PWSUYJOCSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573624006 947691628 /nfs/dbraw/zinc/69/16/28/947691628.db2.gz JGYLBDHWDTWQED-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573624006 947691624 /nfs/dbraw/zinc/69/16/24/947691624.db2.gz JGYLBDHWDTWQED-ZYHUDNBSSA-N -1 3 384.404 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573628156 947747734 /nfs/dbraw/zinc/74/77/34/947747734.db2.gz FRTIMERHPHKBDJ-CMPLNLGQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573628156 947747724 /nfs/dbraw/zinc/74/77/24/947747724.db2.gz FRTIMERHPHKBDJ-CMPLNLGQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573628157 947747828 /nfs/dbraw/zinc/74/78/28/947747828.db2.gz FRTIMERHPHKBDJ-JQWIXIFHSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573628157 947747815 /nfs/dbraw/zinc/74/78/15/947747815.db2.gz FRTIMERHPHKBDJ-JQWIXIFHSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573628158 947748813 /nfs/dbraw/zinc/74/88/13/947748813.db2.gz FRTIMERHPHKBDJ-PWSUYJOCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573628158 947748805 /nfs/dbraw/zinc/74/88/05/947748805.db2.gz FRTIMERHPHKBDJ-PWSUYJOCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573628159 947748331 /nfs/dbraw/zinc/74/83/31/947748331.db2.gz FRTIMERHPHKBDJ-ZYHUDNBSSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573628159 947748319 /nfs/dbraw/zinc/74/83/19/947748319.db2.gz FRTIMERHPHKBDJ-ZYHUDNBSSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573628214 947747614 /nfs/dbraw/zinc/74/76/14/947747614.db2.gz GLTYAXOSVKLHGB-CMPLNLGQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573628214 947747603 /nfs/dbraw/zinc/74/76/03/947747603.db2.gz GLTYAXOSVKLHGB-CMPLNLGQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573628215 947748842 /nfs/dbraw/zinc/74/88/42/947748842.db2.gz GLTYAXOSVKLHGB-JQWIXIFHSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573628215 947748830 /nfs/dbraw/zinc/74/88/30/947748830.db2.gz GLTYAXOSVKLHGB-JQWIXIFHSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573628216 947748657 /nfs/dbraw/zinc/74/86/57/947748657.db2.gz GLTYAXOSVKLHGB-PWSUYJOCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573628216 947748644 /nfs/dbraw/zinc/74/86/44/947748644.db2.gz GLTYAXOSVKLHGB-PWSUYJOCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573628217 947747759 /nfs/dbraw/zinc/74/77/59/947747759.db2.gz GLTYAXOSVKLHGB-ZYHUDNBSSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573628217 947747750 /nfs/dbraw/zinc/74/77/50/947747750.db2.gz GLTYAXOSVKLHGB-ZYHUDNBSSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573628396 947755849 /nfs/dbraw/zinc/75/58/49/947755849.db2.gz HUSKDNWWDOZWKV-GHMZBOCLSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573628396 947755844 /nfs/dbraw/zinc/75/58/44/947755844.db2.gz HUSKDNWWDOZWKV-GHMZBOCLSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573628397 947756150 /nfs/dbraw/zinc/75/61/50/947756150.db2.gz HUSKDNWWDOZWKV-MNOVXSKESA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573628397 947756144 /nfs/dbraw/zinc/75/61/44/947756144.db2.gz HUSKDNWWDOZWKV-MNOVXSKESA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573628398 947755029 /nfs/dbraw/zinc/75/50/29/947755029.db2.gz HUSKDNWWDOZWKV-QWRGUYRKSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573628398 947755019 /nfs/dbraw/zinc/75/50/19/947755019.db2.gz HUSKDNWWDOZWKV-QWRGUYRKSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573628399 947755829 /nfs/dbraw/zinc/75/58/29/947755829.db2.gz HUSKDNWWDOZWKV-WDEREUQCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573628399 947755817 /nfs/dbraw/zinc/75/58/17/947755817.db2.gz HUSKDNWWDOZWKV-WDEREUQCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)n2C)CC1 ZINC001573629034 947771895 /nfs/dbraw/zinc/77/18/95/947771895.db2.gz QEQYUFUEGRBCRH-CYBMUJFWSA-N -1 3 386.460 -0.026 20 0 GBADHM C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)n2C)CC1 ZINC001573629034 947771892 /nfs/dbraw/zinc/77/18/92/947771892.db2.gz QEQYUFUEGRBCRH-CYBMUJFWSA-N -1 3 386.460 -0.026 20 0 GBADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)n2C)CC1 ZINC001573629036 947770545 /nfs/dbraw/zinc/77/05/45/947770545.db2.gz QEQYUFUEGRBCRH-ZDUSSCGKSA-N -1 3 386.460 -0.026 20 0 GBADHM C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)n2C)CC1 ZINC001573629036 947770534 /nfs/dbraw/zinc/77/05/34/947770534.db2.gz QEQYUFUEGRBCRH-ZDUSSCGKSA-N -1 3 386.460 -0.026 20 0 GBADHM C[C@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC001573637360 947813257 /nfs/dbraw/zinc/81/32/57/947813257.db2.gz ABZHWDKOZBVYEV-LLVKDONJSA-N -1 3 379.446 -0.267 20 0 GBADHM C[C@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC001573637360 947813246 /nfs/dbraw/zinc/81/32/46/947813246.db2.gz ABZHWDKOZBVYEV-LLVKDONJSA-N -1 3 379.446 -0.267 20 0 GBADHM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)cn2)CC1)S(C)(=O)=O ZINC001573637361 947812682 /nfs/dbraw/zinc/81/26/82/947812682.db2.gz ABZHWDKOZBVYEV-NSHDSACASA-N -1 3 379.446 -0.267 20 0 GBADHM C[C@@H](C(=O)N1CCCN(c2ccc(-c3nnn[n-]3)cn2)CC1)S(C)(=O)=O ZINC001573637361 947812678 /nfs/dbraw/zinc/81/26/78/947812678.db2.gz ABZHWDKOZBVYEV-NSHDSACASA-N -1 3 379.446 -0.267 20 0 GBADHM C[C@H](C(=O)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573637382 947812139 /nfs/dbraw/zinc/81/21/39/947812139.db2.gz AUYISMXLWRLKHR-LLVKDONJSA-N -1 3 379.446 -0.267 20 0 GBADHM C[C@H](C(=O)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573637382 947812133 /nfs/dbraw/zinc/81/21/33/947812133.db2.gz AUYISMXLWRLKHR-LLVKDONJSA-N -1 3 379.446 -0.267 20 0 GBADHM C[C@@H](C(=O)N1CCCN(c2ncccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573637383 947813232 /nfs/dbraw/zinc/81/32/32/947813232.db2.gz AUYISMXLWRLKHR-NSHDSACASA-N -1 3 379.446 -0.267 20 0 GBADHM C[C@@H](C(=O)N1CCCN(c2ncccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573637383 947813226 /nfs/dbraw/zinc/81/32/26/947813226.db2.gz AUYISMXLWRLKHR-NSHDSACASA-N -1 3 379.446 -0.267 20 0 GBADHM C[C@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cncn1 ZINC001573637619 947819736 /nfs/dbraw/zinc/81/97/36/947819736.db2.gz KTQOYHOYGVPPPE-LLVKDONJSA-N -1 3 384.404 -0.278 20 0 GBADHM C[C@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cncn1 ZINC001573637619 947819724 /nfs/dbraw/zinc/81/97/24/947819724.db2.gz KTQOYHOYGVPPPE-LLVKDONJSA-N -1 3 384.404 -0.278 20 0 GBADHM C[C@@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cncn1 ZINC001573637620 947820341 /nfs/dbraw/zinc/82/03/41/947820341.db2.gz KTQOYHOYGVPPPE-NSHDSACASA-N -1 3 384.404 -0.278 20 0 GBADHM C[C@@H](C(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cncn1 ZINC001573637620 947820330 /nfs/dbraw/zinc/82/03/30/947820330.db2.gz KTQOYHOYGVPPPE-NSHDSACASA-N -1 3 384.404 -0.278 20 0 GBADHM C[C@H](C(=O)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cncn1 ZINC001573637673 947821485 /nfs/dbraw/zinc/82/14/85/947821485.db2.gz MSUWDBMIEFJOHF-LLVKDONJSA-N -1 3 384.404 -0.278 20 0 GBADHM C[C@H](C(=O)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cncn1 ZINC001573637673 947821480 /nfs/dbraw/zinc/82/14/80/947821480.db2.gz MSUWDBMIEFJOHF-LLVKDONJSA-N -1 3 384.404 -0.278 20 0 GBADHM C[C@@H](C(=O)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cncn1 ZINC001573637674 947821533 /nfs/dbraw/zinc/82/15/33/947821533.db2.gz MSUWDBMIEFJOHF-NSHDSACASA-N -1 3 384.404 -0.278 20 0 GBADHM C[C@@H](C(=O)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cncn1 ZINC001573637674 947821527 /nfs/dbraw/zinc/82/15/27/947821527.db2.gz MSUWDBMIEFJOHF-NSHDSACASA-N -1 3 384.404 -0.278 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573637763 947823666 /nfs/dbraw/zinc/82/36/66/947823666.db2.gz PIYPXGJJKPHNAG-CMPLNLGQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573637763 947823665 /nfs/dbraw/zinc/82/36/65/947823665.db2.gz PIYPXGJJKPHNAG-CMPLNLGQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573637764 947825687 /nfs/dbraw/zinc/82/56/87/947825687.db2.gz PIYPXGJJKPHNAG-ZYHUDNBSSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573637764 947825672 /nfs/dbraw/zinc/82/56/72/947825672.db2.gz PIYPXGJJKPHNAG-ZYHUDNBSSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573637881 947827881 /nfs/dbraw/zinc/82/78/81/947827881.db2.gz UKTZMYXHWIHLRP-CMPLNLGQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573637881 947827879 /nfs/dbraw/zinc/82/78/79/947827879.db2.gz UKTZMYXHWIHLRP-CMPLNLGQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573637882 947826450 /nfs/dbraw/zinc/82/64/50/947826450.db2.gz UKTZMYXHWIHLRP-ZYHUDNBSSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573637882 947826438 /nfs/dbraw/zinc/82/64/38/947826438.db2.gz UKTZMYXHWIHLRP-ZYHUDNBSSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC001573637974 947828467 /nfs/dbraw/zinc/82/84/67/947828467.db2.gz AERNJXJQNDRJQE-GFCCVEGCSA-N -1 3 378.458 -0.056 20 0 GBADHM C[C@@H](C(=O)N1CCN(Cc2cccc(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC001573637979 947828208 /nfs/dbraw/zinc/82/82/08/947828208.db2.gz AERNJXJQNDRJQE-LBPRGKRZSA-N -1 3 378.458 -0.056 20 0 GBADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573638033 947832349 /nfs/dbraw/zinc/83/23/49/947832349.db2.gz ZGEACTYOHRPJRY-GHMZBOCLSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573638033 947832340 /nfs/dbraw/zinc/83/23/40/947832340.db2.gz ZGEACTYOHRPJRY-GHMZBOCLSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573638036 947830285 /nfs/dbraw/zinc/83/02/85/947830285.db2.gz ZGEACTYOHRPJRY-WDEREUQCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573638036 947830275 /nfs/dbraw/zinc/83/02/75/947830275.db2.gz ZGEACTYOHRPJRY-WDEREUQCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573638544 947839393 /nfs/dbraw/zinc/83/93/93/947839393.db2.gz OXULZUHWGDLTJS-GFCCVEGCSA-N -1 3 378.458 -0.056 20 0 GBADHM C[C@H](C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573638544 947839388 /nfs/dbraw/zinc/83/93/88/947839388.db2.gz OXULZUHWGDLTJS-GFCCVEGCSA-N -1 3 378.458 -0.056 20 0 GBADHM C[C@@H](C(=O)N1CCN(Cc2ccccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573638545 947840680 /nfs/dbraw/zinc/84/06/80/947840680.db2.gz OXULZUHWGDLTJS-LBPRGKRZSA-N -1 3 378.458 -0.056 20 0 GBADHM C[C@@H](C(=O)N1CCN(Cc2ccccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573638545 947840674 /nfs/dbraw/zinc/84/06/74/947840674.db2.gz OXULZUHWGDLTJS-LBPRGKRZSA-N -1 3 378.458 -0.056 20 0 GBADHM C[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573638560 947840117 /nfs/dbraw/zinc/84/01/17/947840117.db2.gz PVQNRMOBTZXUKX-CMPLNLGQSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573638560 947840109 /nfs/dbraw/zinc/84/01/09/947840109.db2.gz PVQNRMOBTZXUKX-CMPLNLGQSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573638561 947840473 /nfs/dbraw/zinc/84/04/73/947840473.db2.gz PVQNRMOBTZXUKX-JQWIXIFHSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573638561 947840464 /nfs/dbraw/zinc/84/04/64/947840464.db2.gz PVQNRMOBTZXUKX-JQWIXIFHSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573638562 947840138 /nfs/dbraw/zinc/84/01/38/947840138.db2.gz PVQNRMOBTZXUKX-PWSUYJOCSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573638562 947840133 /nfs/dbraw/zinc/84/01/33/947840133.db2.gz PVQNRMOBTZXUKX-PWSUYJOCSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573638563 947840904 /nfs/dbraw/zinc/84/09/04/947840904.db2.gz PVQNRMOBTZXUKX-ZYHUDNBSSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](C(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573638563 947840900 /nfs/dbraw/zinc/84/09/00/947840900.db2.gz PVQNRMOBTZXUKX-ZYHUDNBSSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573638836 947844329 /nfs/dbraw/zinc/84/43/29/947844329.db2.gz WYAWMJVSAWTWLV-GHMZBOCLSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573638836 947844320 /nfs/dbraw/zinc/84/43/20/947844320.db2.gz WYAWMJVSAWTWLV-GHMZBOCLSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573638838 947844242 /nfs/dbraw/zinc/84/42/42/947844242.db2.gz WYAWMJVSAWTWLV-MNOVXSKESA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573638838 947844230 /nfs/dbraw/zinc/84/42/30/947844230.db2.gz WYAWMJVSAWTWLV-MNOVXSKESA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573638840 947843899 /nfs/dbraw/zinc/84/38/99/947843899.db2.gz WYAWMJVSAWTWLV-QWRGUYRKSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573638840 947843892 /nfs/dbraw/zinc/84/38/92/947843892.db2.gz WYAWMJVSAWTWLV-QWRGUYRKSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573638841 947843693 /nfs/dbraw/zinc/84/36/93/947843693.db2.gz WYAWMJVSAWTWLV-WDEREUQCSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@H](C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573638841 947843683 /nfs/dbraw/zinc/84/36/83/947843683.db2.gz WYAWMJVSAWTWLV-WDEREUQCSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1C(=O)CCC1=O ZINC001573638967 947845770 /nfs/dbraw/zinc/84/57/70/947845770.db2.gz ZSUMYMHAQHLQMN-LLVKDONJSA-N -1 3 384.400 -0.552 20 0 GBADHM C[C@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)N1C(=O)CCC1=O ZINC001573638967 947845767 /nfs/dbraw/zinc/84/57/67/947845767.db2.gz ZSUMYMHAQHLQMN-LLVKDONJSA-N -1 3 384.400 -0.552 20 0 GBADHM C[C@@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)N1C(=O)CCC1=O ZINC001573638968 947845971 /nfs/dbraw/zinc/84/59/71/947845971.db2.gz 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HFNOQJJYKFJXSL-WPRPVWTQSA-N -1 3 383.409 -0.153 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)S(C)(=O)=O ZINC001573646394 947875927 /nfs/dbraw/zinc/87/59/27/947875927.db2.gz LLAAZLKKBGZUMM-GMXVVIOVSA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)S(C)(=O)=O ZINC001573646394 947875917 /nfs/dbraw/zinc/87/59/17/947875917.db2.gz LLAAZLKKBGZUMM-GMXVVIOVSA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)S(C)(=O)=O ZINC001573646395 947874756 /nfs/dbraw/zinc/87/47/56/947874756.db2.gz LLAAZLKKBGZUMM-NTZNESFSSA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)S(C)(=O)=O ZINC001573646395 947874750 /nfs/dbraw/zinc/87/47/50/947874750.db2.gz LLAAZLKKBGZUMM-NTZNESFSSA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C)n1cncn1 ZINC001573646400 947875960 /nfs/dbraw/zinc/87/59/60/947875960.db2.gz LPWFKPZUYMPGQJ-FOGDFJRCSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C)n1cncn1 ZINC001573646400 947875948 /nfs/dbraw/zinc/87/59/48/947875948.db2.gz LPWFKPZUYMPGQJ-FOGDFJRCSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C)n1cncn1 ZINC001573646402 947875834 /nfs/dbraw/zinc/87/58/34/947875834.db2.gz LPWFKPZUYMPGQJ-SCVCMEIPSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C)n1cncn1 ZINC001573646402 947875826 /nfs/dbraw/zinc/87/58/26/947875826.db2.gz LPWFKPZUYMPGQJ-SCVCMEIPSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C)n1cncn1 ZINC001573646570 947878077 /nfs/dbraw/zinc/87/80/77/947878077.db2.gz QUCGKKBIBVMUIT-MXWKQRLJSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C)n1cncn1 ZINC001573646570 947878071 /nfs/dbraw/zinc/87/80/71/947878071.db2.gz QUCGKKBIBVMUIT-MXWKQRLJSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H]1C)n1cncn1 ZINC001573646571 947878670 /nfs/dbraw/zinc/87/86/70/947878670.db2.gz QUCGKKBIBVMUIT-VWYCJHECSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H]1C)n1cncn1 ZINC001573646571 947878661 /nfs/dbraw/zinc/87/86/61/947878661.db2.gz QUCGKKBIBVMUIT-VWYCJHECSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)n1cncn1 ZINC001573646911 947882217 /nfs/dbraw/zinc/88/22/17/947882217.db2.gz ZJVRPDCTUNAECW-COPLHBTASA-N -1 3 396.415 -0.280 20 0 GBADHM C[C@@H](C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)n1cncn1 ZINC001573646911 947882210 /nfs/dbraw/zinc/88/22/10/947882210.db2.gz ZJVRPDCTUNAECW-COPLHBTASA-N -1 3 396.415 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@H]21)n1cncn1 ZINC001573646913 947882127 /nfs/dbraw/zinc/88/21/27/947882127.db2.gz ZJVRPDCTUNAECW-UHIISALHSA-N -1 3 396.415 -0.280 20 0 GBADHM C[C@H](C(=O)N1CC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@H]21)n1cncn1 ZINC001573646913 947882123 /nfs/dbraw/zinc/88/21/23/947882123.db2.gz ZJVRPDCTUNAECW-UHIISALHSA-N -1 3 396.415 -0.280 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(F)F ZINC001573647035 947883399 /nfs/dbraw/zinc/88/33/99/947883399.db2.gz AUAVYNWHIBSEIF-AVPPRXQKSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(F)F ZINC001573647035 947883388 /nfs/dbraw/zinc/88/33/88/947883388.db2.gz AUAVYNWHIBSEIF-AVPPRXQKSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(C)(F)F ZINC001573647036 947883325 /nfs/dbraw/zinc/88/33/25/947883325.db2.gz AUAVYNWHIBSEIF-WHGOUJPWSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(C)(F)F ZINC001573647036 947883317 /nfs/dbraw/zinc/88/33/17/947883317.db2.gz AUAVYNWHIBSEIF-WHGOUJPWSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573647039 947882357 /nfs/dbraw/zinc/88/23/57/947882357.db2.gz AXSOAJKXZQMIFR-GBIKHYSHSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573647039 947882348 /nfs/dbraw/zinc/88/23/48/947882348.db2.gz AXSOAJKXZQMIFR-GBIKHYSHSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573647040 947882507 /nfs/dbraw/zinc/88/25/07/947882507.db2.gz AXSOAJKXZQMIFR-GIPNMCIBSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573647040 947882502 /nfs/dbraw/zinc/88/25/02/947882502.db2.gz AXSOAJKXZQMIFR-GIPNMCIBSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573647059 947881686 /nfs/dbraw/zinc/88/16/86/947881686.db2.gz BETUCXNVZQCXPE-CUOATXAZSA-N -1 3 397.399 -0.910 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573647059 947881677 /nfs/dbraw/zinc/88/16/77/947881677.db2.gz BETUCXNVZQCXPE-CUOATXAZSA-N -1 3 397.399 -0.910 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cncnc1 ZINC001573647060 947883433 /nfs/dbraw/zinc/88/34/33/947883433.db2.gz BETUCXNVZQCXPE-OWYVNGRQSA-N -1 3 397.399 -0.910 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cncnc1 ZINC001573647060 947883426 /nfs/dbraw/zinc/88/34/26/947883426.db2.gz BETUCXNVZQCXPE-OWYVNGRQSA-N -1 3 397.399 -0.910 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573647391 947892895 /nfs/dbraw/zinc/89/28/95/947892895.db2.gz JWNNIGAKKAPFTM-BDODKLCJSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573647391 947892888 /nfs/dbraw/zinc/89/28/88/947892888.db2.gz JWNNIGAKKAPFTM-BDODKLCJSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)(F)F ZINC001573647392 947891276 /nfs/dbraw/zinc/89/12/76/947891276.db2.gz JWNNIGAKKAPFTM-WQGWLQIFSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)(F)F ZINC001573647392 947891272 /nfs/dbraw/zinc/89/12/72/947891272.db2.gz JWNNIGAKKAPFTM-WQGWLQIFSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1)S(C)(=O)=O ZINC001573647395 947892720 /nfs/dbraw/zinc/89/27/20/947892720.db2.gz JXERRJOIVRJVMF-RTXFEEFZSA-N -1 3 391.457 -0.411 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1)S(C)(=O)=O ZINC001573647395 947892712 /nfs/dbraw/zinc/89/27/12/947892712.db2.gz JXERRJOIVRJVMF-RTXFEEFZSA-N -1 3 391.457 -0.411 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1)S(C)(=O)=O ZINC001573647396 947891645 /nfs/dbraw/zinc/89/16/45/947891645.db2.gz JXERRJOIVRJVMF-WCFLWFBJSA-N -1 3 391.457 -0.411 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1)S(C)(=O)=O ZINC001573647396 947891639 /nfs/dbraw/zinc/89/16/39/947891639.db2.gz JXERRJOIVRJVMF-WCFLWFBJSA-N -1 3 391.457 -0.411 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccco1 ZINC001573647434 947895187 /nfs/dbraw/zinc/89/51/87/947895187.db2.gz KZRLFHWTVKWMLW-OASPWFOLSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccco1 ZINC001573647434 947895181 /nfs/dbraw/zinc/89/51/81/947895181.db2.gz KZRLFHWTVKWMLW-OASPWFOLSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1ccco1 ZINC001573647435 947894876 /nfs/dbraw/zinc/89/48/76/947894876.db2.gz KZRLFHWTVKWMLW-ZWKOPEQDSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1ccco1 ZINC001573647435 947894866 /nfs/dbraw/zinc/89/48/66/947894866.db2.gz KZRLFHWTVKWMLW-ZWKOPEQDSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573647454 947895321 /nfs/dbraw/zinc/89/53/21/947895321.db2.gz LMBFRZYCQIIOKM-GBIKHYSHSA-N -1 3 379.446 -0.046 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573647454 947895313 /nfs/dbraw/zinc/89/53/13/947895313.db2.gz LMBFRZYCQIIOKM-GBIKHYSHSA-N -1 3 379.446 -0.046 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573647455 947894450 /nfs/dbraw/zinc/89/44/50/947894450.db2.gz LMBFRZYCQIIOKM-GIPNMCIBSA-N -1 3 379.446 -0.046 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573647455 947894443 /nfs/dbraw/zinc/89/44/43/947894443.db2.gz LMBFRZYCQIIOKM-GIPNMCIBSA-N -1 3 379.446 -0.046 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1)S(C)(=O)=O ZINC001573647460 947895388 /nfs/dbraw/zinc/89/53/88/947895388.db2.gz LSOIXYLZRLSEAU-SDDRHHMPSA-N -1 3 391.457 -0.411 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1)S(C)(=O)=O ZINC001573647460 947895381 /nfs/dbraw/zinc/89/53/81/947895381.db2.gz LSOIXYLZRLSEAU-SDDRHHMPSA-N -1 3 391.457 -0.411 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]2C1)S(C)(=O)=O ZINC001573647461 947893492 /nfs/dbraw/zinc/89/34/92/947893492.db2.gz LSOIXYLZRLSEAU-UTUOFQBUSA-N -1 3 391.457 -0.411 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]2C1)S(C)(=O)=O ZINC001573647461 947893484 /nfs/dbraw/zinc/89/34/84/947893484.db2.gz LSOIXYLZRLSEAU-UTUOFQBUSA-N -1 3 391.457 -0.411 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573647468 947895230 /nfs/dbraw/zinc/89/52/30/947895230.db2.gz MCOYQPMTPXHXOY-CUOATXAZSA-N -1 3 399.415 -0.967 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573647468 947895227 /nfs/dbraw/zinc/89/52/27/947895227.db2.gz MCOYQPMTPXHXOY-CUOATXAZSA-N -1 3 399.415 -0.967 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573647469 947894717 /nfs/dbraw/zinc/89/47/17/947894717.db2.gz MCOYQPMTPXHXOY-OWYVNGRQSA-N -1 3 399.415 -0.967 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573647469 947894703 /nfs/dbraw/zinc/89/47/03/947894703.db2.gz MCOYQPMTPXHXOY-OWYVNGRQSA-N -1 3 399.415 -0.967 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573647490 947894819 /nfs/dbraw/zinc/89/48/19/947894819.db2.gz MSJRHRZLYUUSPJ-BDODKLCJSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573647490 947894812 /nfs/dbraw/zinc/89/48/12/947894812.db2.gz MSJRHRZLYUUSPJ-BDODKLCJSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573647491 947893579 /nfs/dbraw/zinc/89/35/79/947893579.db2.gz MSJRHRZLYUUSPJ-WQGWLQIFSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573647491 947893570 /nfs/dbraw/zinc/89/35/70/947893570.db2.gz MSJRHRZLYUUSPJ-WQGWLQIFSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccco1 ZINC001573647517 947896162 /nfs/dbraw/zinc/89/61/62/947896162.db2.gz NHITZUHRRFTWFW-OASPWFOLSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccco1 ZINC001573647517 947896153 /nfs/dbraw/zinc/89/61/53/947896153.db2.gz NHITZUHRRFTWFW-OASPWFOLSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccco1 ZINC001573647518 947897020 /nfs/dbraw/zinc/89/70/20/947897020.db2.gz NHITZUHRRFTWFW-ZWKOPEQDSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccco1 ZINC001573647518 947897002 /nfs/dbraw/zinc/89/70/02/947897002.db2.gz NHITZUHRRFTWFW-ZWKOPEQDSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573647584 947899596 /nfs/dbraw/zinc/89/95/96/947899596.db2.gz PQDSHRYSFKSYOM-LERXQTSPSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573647584 947899589 /nfs/dbraw/zinc/89/95/89/947899589.db2.gz PQDSHRYSFKSYOM-LERXQTSPSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573647585 947900535 /nfs/dbraw/zinc/90/05/35/947900535.db2.gz PQDSHRYSFKSYOM-ZLKJLUDKSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573647585 947900527 /nfs/dbraw/zinc/90/05/27/947900527.db2.gz PQDSHRYSFKSYOM-ZLKJLUDKSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573647598 947900308 /nfs/dbraw/zinc/90/03/08/947900308.db2.gz PUIPOCWQBAQNQB-GBIKHYSHSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573647598 947900297 /nfs/dbraw/zinc/90/02/97/947900297.db2.gz PUIPOCWQBAQNQB-GBIKHYSHSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573647599 947899826 /nfs/dbraw/zinc/89/98/26/947899826.db2.gz PUIPOCWQBAQNQB-GIPNMCIBSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573647599 947899818 /nfs/dbraw/zinc/89/98/18/947899818.db2.gz PUIPOCWQBAQNQB-GIPNMCIBSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573647623 947898623 /nfs/dbraw/zinc/89/86/23/947898623.db2.gz QMKVTJSBPVLNLS-LERXQTSPSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573647623 947898618 /nfs/dbraw/zinc/89/86/18/947898618.db2.gz QMKVTJSBPVLNLS-LERXQTSPSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573647624 947898606 /nfs/dbraw/zinc/89/86/06/947898606.db2.gz QMKVTJSBPVLNLS-ZLKJLUDKSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573647624 947898598 /nfs/dbraw/zinc/89/85/98/947898598.db2.gz QMKVTJSBPVLNLS-ZLKJLUDKSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573647833 947904924 /nfs/dbraw/zinc/90/49/24/947904924.db2.gz UHKLQDVYEMYWLC-GBIKHYSHSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573647833 947904918 /nfs/dbraw/zinc/90/49/18/947904918.db2.gz UHKLQDVYEMYWLC-GBIKHYSHSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573647834 947904773 /nfs/dbraw/zinc/90/47/73/947904773.db2.gz UHKLQDVYEMYWLC-GIPNMCIBSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573647834 947904769 /nfs/dbraw/zinc/90/47/69/947904769.db2.gz UHKLQDVYEMYWLC-GIPNMCIBSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C(C)(F)F ZINC001573650336 947908880 /nfs/dbraw/zinc/90/88/80/947908880.db2.gz AUAVYNWHIBSEIF-ONOSFVFSSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C(C)(F)F ZINC001573650336 947908874 /nfs/dbraw/zinc/90/88/74/947908874.db2.gz AUAVYNWHIBSEIF-ONOSFVFSSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C(C)(F)F ZINC001573650339 947908590 /nfs/dbraw/zinc/90/85/90/947908590.db2.gz AUAVYNWHIBSEIF-XROYCOCOSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C(C)(F)F ZINC001573650339 947908586 /nfs/dbraw/zinc/90/85/86/947908586.db2.gz AUAVYNWHIBSEIF-XROYCOCOSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1)S(C)(=O)=O ZINC001573650440 947910725 /nfs/dbraw/zinc/91/07/25/947910725.db2.gz BUVVAEDADNEBGL-SDDRHHMPSA-N -1 3 391.457 -0.411 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1)S(C)(=O)=O ZINC001573650440 947910706 /nfs/dbraw/zinc/91/07/06/947910706.db2.gz BUVVAEDADNEBGL-SDDRHHMPSA-N -1 3 391.457 -0.411 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2C1)S(C)(=O)=O ZINC001573650442 947911827 /nfs/dbraw/zinc/91/18/27/947911827.db2.gz BUVVAEDADNEBGL-UTUOFQBUSA-N -1 3 391.457 -0.411 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2C1)S(C)(=O)=O ZINC001573650442 947911820 /nfs/dbraw/zinc/91/18/20/947911820.db2.gz BUVVAEDADNEBGL-UTUOFQBUSA-N -1 3 391.457 -0.411 20 0 GBADHM C[C@H](C(=O)NC(=O)NC1CC1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573650444 947911335 /nfs/dbraw/zinc/91/13/35/947911335.db2.gz BXAVXQXFWQWRFP-SECBINFHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](C(=O)NC(=O)NC1CC1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573650446 947911892 /nfs/dbraw/zinc/91/18/92/947911892.db2.gz BXAVXQXFWQWRFP-VIFPVBQESA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573650668 947910335 /nfs/dbraw/zinc/91/03/35/947910335.db2.gz CTCRWAUIJNKQJY-DLOVCJGASA-N -1 3 382.388 -0.527 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573650668 947910326 /nfs/dbraw/zinc/91/03/26/947910326.db2.gz CTCRWAUIJNKQJY-DLOVCJGASA-N -1 3 382.388 -0.527 20 0 GBADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573650672 947912020 /nfs/dbraw/zinc/91/20/20/947912020.db2.gz CTCRWAUIJNKQJY-USWWRNFRSA-N -1 3 382.388 -0.527 20 0 GBADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573650672 947912012 /nfs/dbraw/zinc/91/20/12/947912012.db2.gz CTCRWAUIJNKQJY-USWWRNFRSA-N -1 3 382.388 -0.527 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573650757 947913634 /nfs/dbraw/zinc/91/36/34/947913634.db2.gz DUAMAOCGYYJJDF-DCAQKATOSA-N -1 3 382.388 -0.527 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573650757 947913630 /nfs/dbraw/zinc/91/36/30/947913630.db2.gz DUAMAOCGYYJJDF-DCAQKATOSA-N -1 3 382.388 -0.527 20 0 GBADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573650758 947912531 /nfs/dbraw/zinc/91/25/31/947912531.db2.gz DUAMAOCGYYJJDF-VWYCJHECSA-N -1 3 382.388 -0.527 20 0 GBADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573650758 947912523 /nfs/dbraw/zinc/91/25/23/947912523.db2.gz DUAMAOCGYYJJDF-VWYCJHECSA-N -1 3 382.388 -0.527 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573650831 947913011 /nfs/dbraw/zinc/91/30/11/947913011.db2.gz FYERLQNVGFLWNF-DCAQKATOSA-N -1 3 377.430 -0.516 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573650831 947913006 /nfs/dbraw/zinc/91/30/06/947913006.db2.gz FYERLQNVGFLWNF-DCAQKATOSA-N -1 3 377.430 -0.516 20 0 GBADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573650832 947914148 /nfs/dbraw/zinc/91/41/48/947914148.db2.gz FYERLQNVGFLWNF-VWYCJHECSA-N -1 3 377.430 -0.516 20 0 GBADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573650832 947914144 /nfs/dbraw/zinc/91/41/44/947914144.db2.gz FYERLQNVGFLWNF-VWYCJHECSA-N -1 3 377.430 -0.516 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C(F)(F)F ZINC001573651204 947917189 /nfs/dbraw/zinc/91/71/89/947917189.db2.gz JWNNIGAKKAPFTM-DRTBCBBWSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C(F)(F)F ZINC001573651204 947917185 /nfs/dbraw/zinc/91/71/85/947917185.db2.gz JWNNIGAKKAPFTM-DRTBCBBWSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)C(F)(F)F ZINC001573651206 947917583 /nfs/dbraw/zinc/91/75/83/947917583.db2.gz JWNNIGAKKAPFTM-QUNWWBBNSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)C(F)(F)F ZINC001573651206 947917579 /nfs/dbraw/zinc/91/75/79/947917579.db2.gz JWNNIGAKKAPFTM-QUNWWBBNSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)c1cnn(C)c1 ZINC001573651271 947919799 /nfs/dbraw/zinc/91/97/99/947919799.db2.gz KUUMNXWOUWMJIK-FZQKWOKYSA-N -1 3 399.415 -0.967 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)c1cnn(C)c1 ZINC001573651271 947919791 /nfs/dbraw/zinc/91/97/91/947919791.db2.gz KUUMNXWOUWMJIK-FZQKWOKYSA-N -1 3 399.415 -0.967 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)c1cnn(C)c1 ZINC001573651273 947920025 /nfs/dbraw/zinc/92/00/25/947920025.db2.gz KUUMNXWOUWMJIK-FZZIBODNSA-N -1 3 399.415 -0.967 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)c1cnn(C)c1 ZINC001573651273 947920020 /nfs/dbraw/zinc/92/00/20/947920020.db2.gz KUUMNXWOUWMJIK-FZZIBODNSA-N -1 3 399.415 -0.967 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)c1ccco1 ZINC001573651292 947919108 /nfs/dbraw/zinc/91/91/08/947919108.db2.gz KZRLFHWTVKWMLW-BIMULSAOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)c1ccco1 ZINC001573651292 947919102 /nfs/dbraw/zinc/91/91/02/947919102.db2.gz KZRLFHWTVKWMLW-BIMULSAOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1)c1ccco1 ZINC001573651295 947919410 /nfs/dbraw/zinc/91/94/10/947919410.db2.gz KZRLFHWTVKWMLW-WQAKAFBOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1)c1ccco1 ZINC001573651295 947919404 /nfs/dbraw/zinc/91/94/04/947919404.db2.gz KZRLFHWTVKWMLW-WQAKAFBOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573651409 947919755 /nfs/dbraw/zinc/91/97/55/947919755.db2.gz LMEWWZKFAYRFKV-GOONRYMUSA-N -1 3 382.388 -0.766 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573651409 947919749 /nfs/dbraw/zinc/91/97/49/947919749.db2.gz LMEWWZKFAYRFKV-GOONRYMUSA-N -1 3 382.388 -0.766 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cncn1 ZINC001573651411 947919901 /nfs/dbraw/zinc/91/99/01/947919901.db2.gz LMEWWZKFAYRFKV-MVVXRAEJSA-N -1 3 382.388 -0.766 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cncn1 ZINC001573651411 947919900 /nfs/dbraw/zinc/91/99/00/947919900.db2.gz LMEWWZKFAYRFKV-MVVXRAEJSA-N -1 3 382.388 -0.766 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573651485 947920769 /nfs/dbraw/zinc/92/07/69/947920769.db2.gz MINKYFZNMXMIJN-DLOVCJGASA-N -1 3 382.388 -0.527 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573651485 947920760 /nfs/dbraw/zinc/92/07/60/947920760.db2.gz MINKYFZNMXMIJN-DLOVCJGASA-N -1 3 382.388 -0.527 20 0 GBADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573651486 947920909 /nfs/dbraw/zinc/92/09/09/947920909.db2.gz MINKYFZNMXMIJN-USWWRNFRSA-N -1 3 382.388 -0.527 20 0 GBADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573651486 947920904 /nfs/dbraw/zinc/92/09/04/947920904.db2.gz MINKYFZNMXMIJN-USWWRNFRSA-N -1 3 382.388 -0.527 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C(F)(F)F ZINC001573651499 947921680 /nfs/dbraw/zinc/92/16/80/947921680.db2.gz MSJRHRZLYUUSPJ-DRTBCBBWSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C(F)(F)F ZINC001573651499 947921673 /nfs/dbraw/zinc/92/16/73/947921673.db2.gz MSJRHRZLYUUSPJ-DRTBCBBWSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C(F)(F)F ZINC001573651500 947921719 /nfs/dbraw/zinc/92/17/19/947921719.db2.gz MSJRHRZLYUUSPJ-QUNWWBBNSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C(F)(F)F ZINC001573651500 947921713 /nfs/dbraw/zinc/92/17/13/947921713.db2.gz MSJRHRZLYUUSPJ-QUNWWBBNSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)c1ccco1 ZINC001573651530 947921457 /nfs/dbraw/zinc/92/14/57/947921457.db2.gz NHITZUHRRFTWFW-BIMULSAOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)c1ccco1 ZINC001573651530 947921452 /nfs/dbraw/zinc/92/14/52/947921452.db2.gz NHITZUHRRFTWFW-BIMULSAOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)c1ccco1 ZINC001573651531 947922149 /nfs/dbraw/zinc/92/21/49/947922149.db2.gz NHITZUHRRFTWFW-WQAKAFBOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)c1ccco1 ZINC001573651531 947922144 /nfs/dbraw/zinc/92/21/44/947922144.db2.gz NHITZUHRRFTWFW-WQAKAFBOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1)S(C)(=O)=O ZINC001573651661 947923732 /nfs/dbraw/zinc/92/37/32/947923732.db2.gz NYJVVKJDTHNZCB-DLOVCJGASA-N -1 3 377.430 -0.516 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1)S(C)(=O)=O ZINC001573651661 947923724 /nfs/dbraw/zinc/92/37/24/947923724.db2.gz NYJVVKJDTHNZCB-DLOVCJGASA-N -1 3 377.430 -0.516 20 0 GBADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1)S(C)(=O)=O ZINC001573651662 947924222 /nfs/dbraw/zinc/92/42/22/947924222.db2.gz NYJVVKJDTHNZCB-USWWRNFRSA-N -1 3 377.430 -0.516 20 0 GBADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1)S(C)(=O)=O ZINC001573651662 947924212 /nfs/dbraw/zinc/92/42/12/947924212.db2.gz NYJVVKJDTHNZCB-USWWRNFRSA-N -1 3 377.430 -0.516 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C(C)(F)F ZINC001573651665 947923507 /nfs/dbraw/zinc/92/35/07/947923507.db2.gz OAVNYEFACSSHKV-ONOSFVFSSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C(C)(F)F ZINC001573651665 947923503 /nfs/dbraw/zinc/92/35/03/947923503.db2.gz OAVNYEFACSSHKV-ONOSFVFSSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C(C)(F)F ZINC001573651666 947923578 /nfs/dbraw/zinc/92/35/78/947923578.db2.gz OAVNYEFACSSHKV-XROYCOCOSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C(C)(F)F ZINC001573651666 947923577 /nfs/dbraw/zinc/92/35/77/947923577.db2.gz OAVNYEFACSSHKV-XROYCOCOSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C(C)(F)F ZINC001573651676 947924054 /nfs/dbraw/zinc/92/40/54/947924054.db2.gz OMAGFWRHRFDZFN-ONOSFVFSSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C(C)(F)F ZINC001573651676 947924051 /nfs/dbraw/zinc/92/40/51/947924051.db2.gz OMAGFWRHRFDZFN-ONOSFVFSSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C(C)(F)F ZINC001573651677 947923557 /nfs/dbraw/zinc/92/35/57/947923557.db2.gz OMAGFWRHRFDZFN-XROYCOCOSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C(C)(F)F ZINC001573651677 947923553 /nfs/dbraw/zinc/92/35/53/947923553.db2.gz OMAGFWRHRFDZFN-XROYCOCOSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)n1cccc1 ZINC001573651712 947923076 /nfs/dbraw/zinc/92/30/76/947923076.db2.gz PQDSHRYSFKSYOM-GDLCADMTSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)n1cccc1 ZINC001573651712 947923059 /nfs/dbraw/zinc/92/30/59/947923059.db2.gz PQDSHRYSFKSYOM-GDLCADMTSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)n1cccc1 ZINC001573651713 947922889 /nfs/dbraw/zinc/92/28/89/947922889.db2.gz PQDSHRYSFKSYOM-HONMWMINSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)n1cccc1 ZINC001573651713 947922878 /nfs/dbraw/zinc/92/28/78/947922878.db2.gz PQDSHRYSFKSYOM-HONMWMINSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573651730 947924292 /nfs/dbraw/zinc/92/42/92/947924292.db2.gz QBAMLOIFCYLRPP-GOONRYMUSA-N -1 3 382.388 -0.766 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573651730 947924287 /nfs/dbraw/zinc/92/42/87/947924287.db2.gz QBAMLOIFCYLRPP-GOONRYMUSA-N -1 3 382.388 -0.766 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cncn1 ZINC001573651731 947923987 /nfs/dbraw/zinc/92/39/87/947923987.db2.gz QBAMLOIFCYLRPP-MVVXRAEJSA-N -1 3 382.388 -0.766 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cncn1 ZINC001573651731 947923977 /nfs/dbraw/zinc/92/39/77/947923977.db2.gz QBAMLOIFCYLRPP-MVVXRAEJSA-N -1 3 382.388 -0.766 20 0 GBADHM C[C@H](C(=O)NC(=O)NC1CC1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573651889 947925521 /nfs/dbraw/zinc/92/55/21/947925521.db2.gz QKDMDJFNMJCNDC-SECBINFHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](C(=O)NC(=O)NC1CC1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573651891 947924958 /nfs/dbraw/zinc/92/49/58/947924958.db2.gz QKDMDJFNMJCNDC-VIFPVBQESA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)n1cccc1 ZINC001573651893 947925366 /nfs/dbraw/zinc/92/53/66/947925366.db2.gz QMKVTJSBPVLNLS-GDLCADMTSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)n1cccc1 ZINC001573651893 947925359 /nfs/dbraw/zinc/92/53/59/947925359.db2.gz QMKVTJSBPVLNLS-GDLCADMTSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)n1cccc1 ZINC001573651895 947926315 /nfs/dbraw/zinc/92/63/15/947926315.db2.gz QMKVTJSBPVLNLS-HONMWMINSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)n1cccc1 ZINC001573651895 947926307 /nfs/dbraw/zinc/92/63/07/947926307.db2.gz QMKVTJSBPVLNLS-HONMWMINSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573651902 947925579 /nfs/dbraw/zinc/92/55/79/947925579.db2.gz QQEHIIIGHWKMOR-PQFRYHKHSA-N -1 3 381.400 -0.161 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573651902 947925572 /nfs/dbraw/zinc/92/55/72/947925572.db2.gz QQEHIIIGHWKMOR-PQFRYHKHSA-N -1 3 381.400 -0.161 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573651904 947926342 /nfs/dbraw/zinc/92/63/42/947926342.db2.gz QQEHIIIGHWKMOR-WUWHUORYSA-N -1 3 381.400 -0.161 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573651904 947926335 /nfs/dbraw/zinc/92/63/35/947926335.db2.gz QQEHIIIGHWKMOR-WUWHUORYSA-N -1 3 381.400 -0.161 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573651965 947924863 /nfs/dbraw/zinc/92/48/63/947924863.db2.gz SBQYELCHRKUZON-DLOVCJGASA-N -1 3 377.430 -0.516 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573651965 947924857 /nfs/dbraw/zinc/92/48/57/947924857.db2.gz SBQYELCHRKUZON-DLOVCJGASA-N -1 3 377.430 -0.516 20 0 GBADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573651966 947925482 /nfs/dbraw/zinc/92/54/82/947925482.db2.gz SBQYELCHRKUZON-USWWRNFRSA-N -1 3 377.430 -0.516 20 0 GBADHM C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573651966 947925480 /nfs/dbraw/zinc/92/54/80/947925480.db2.gz SBQYELCHRKUZON-USWWRNFRSA-N -1 3 377.430 -0.516 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C(F)(F)F ZINC001573651987 947927571 /nfs/dbraw/zinc/92/75/71/947927571.db2.gz SZGZWNXOLGSMPX-DRTBCBBWSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C(F)(F)F ZINC001573651987 947927565 /nfs/dbraw/zinc/92/75/65/947927565.db2.gz SZGZWNXOLGSMPX-DRTBCBBWSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C(F)(F)F ZINC001573651988 947927060 /nfs/dbraw/zinc/92/70/60/947927060.db2.gz SZGZWNXOLGSMPX-QUNWWBBNSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C(F)(F)F ZINC001573651988 947927056 /nfs/dbraw/zinc/92/70/56/947927056.db2.gz SZGZWNXOLGSMPX-QUNWWBBNSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573652164 947931712 /nfs/dbraw/zinc/93/17/12/947931712.db2.gz BIDTYQMSQJBHIT-NOZJJQNGSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573652164 947931709 /nfs/dbraw/zinc/93/17/09/947931709.db2.gz BIDTYQMSQJBHIT-NOZJJQNGSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573652169 947932037 /nfs/dbraw/zinc/93/20/37/947932037.db2.gz BIDTYQMSQJBHIT-RNCFNFMXSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573652169 947932025 /nfs/dbraw/zinc/93/20/25/947932025.db2.gz BIDTYQMSQJBHIT-RNCFNFMXSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573652200 947932208 /nfs/dbraw/zinc/93/22/08/947932208.db2.gz BIDTYQMSQJBHIT-TVQRCGJNSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573652200 947932202 /nfs/dbraw/zinc/93/22/02/947932202.db2.gz BIDTYQMSQJBHIT-TVQRCGJNSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573652201 947931380 /nfs/dbraw/zinc/93/13/80/947931380.db2.gz BIDTYQMSQJBHIT-ZANVPECISA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573652201 947931374 /nfs/dbraw/zinc/93/13/74/947931374.db2.gz BIDTYQMSQJBHIT-ZANVPECISA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573652344 947935858 /nfs/dbraw/zinc/93/58/58/947935858.db2.gz XHMQKCLFFVDUCO-PQFRYHKHSA-N -1 3 381.400 -0.161 20 0 GBADHM C[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573652344 947935853 /nfs/dbraw/zinc/93/58/53/947935853.db2.gz XHMQKCLFFVDUCO-PQFRYHKHSA-N -1 3 381.400 -0.161 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573652345 947935653 /nfs/dbraw/zinc/93/56/53/947935653.db2.gz XHMQKCLFFVDUCO-WUWHUORYSA-N -1 3 381.400 -0.161 20 0 GBADHM C[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573652345 947935643 /nfs/dbraw/zinc/93/56/43/947935643.db2.gz XHMQKCLFFVDUCO-WUWHUORYSA-N -1 3 381.400 -0.161 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)c1ccco1 ZINC001573652358 947936420 /nfs/dbraw/zinc/93/64/20/947936420.db2.gz YAXYWZCHXBNJQZ-BIMULSAOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)c1ccco1 ZINC001573652358 947936414 /nfs/dbraw/zinc/93/64/14/947936414.db2.gz YAXYWZCHXBNJQZ-BIMULSAOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)c1ccco1 ZINC001573652359 947935179 /nfs/dbraw/zinc/93/51/79/947935179.db2.gz YAXYWZCHXBNJQZ-WQAKAFBOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)c1ccco1 ZINC001573652359 947935176 /nfs/dbraw/zinc/93/51/76/947935176.db2.gz YAXYWZCHXBNJQZ-WQAKAFBOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573652624 947944121 /nfs/dbraw/zinc/94/41/21/947944121.db2.gz FMTYDOPIGRCKGD-CMPLNLGQSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573652624 947944116 /nfs/dbraw/zinc/94/41/16/947944116.db2.gz FMTYDOPIGRCKGD-CMPLNLGQSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573652625 947944180 /nfs/dbraw/zinc/94/41/80/947944180.db2.gz FMTYDOPIGRCKGD-JQWIXIFHSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573652625 947944173 /nfs/dbraw/zinc/94/41/73/947944173.db2.gz FMTYDOPIGRCKGD-JQWIXIFHSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573652626 947944869 /nfs/dbraw/zinc/94/48/69/947944869.db2.gz FMTYDOPIGRCKGD-PWSUYJOCSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573652626 947944859 /nfs/dbraw/zinc/94/48/59/947944859.db2.gz FMTYDOPIGRCKGD-PWSUYJOCSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573652627 947945094 /nfs/dbraw/zinc/94/50/94/947945094.db2.gz FMTYDOPIGRCKGD-ZYHUDNBSSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573652627 947945079 /nfs/dbraw/zinc/94/50/79/947945079.db2.gz FMTYDOPIGRCKGD-ZYHUDNBSSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573652740 947947203 /nfs/dbraw/zinc/94/72/03/947947203.db2.gz HCVGXZOFBXUGNJ-GWCFXTLKSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573652740 947947194 /nfs/dbraw/zinc/94/71/94/947947194.db2.gz HCVGXZOFBXUGNJ-GWCFXTLKSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573652741 947946425 /nfs/dbraw/zinc/94/64/25/947946425.db2.gz HCVGXZOFBXUGNJ-GXFFZTMASA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573652741 947946419 /nfs/dbraw/zinc/94/64/19/947946419.db2.gz HCVGXZOFBXUGNJ-GXFFZTMASA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573652742 947946619 /nfs/dbraw/zinc/94/66/19/947946619.db2.gz HCVGXZOFBXUGNJ-MFKMUULPSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573652742 947946612 /nfs/dbraw/zinc/94/66/12/947946612.db2.gz HCVGXZOFBXUGNJ-MFKMUULPSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573652743 947945758 /nfs/dbraw/zinc/94/57/58/947945758.db2.gz HCVGXZOFBXUGNJ-ZWNOBZJWSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573652743 947945751 /nfs/dbraw/zinc/94/57/51/947945751.db2.gz HCVGXZOFBXUGNJ-ZWNOBZJWSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573652980 947949205 /nfs/dbraw/zinc/94/92/05/947949205.db2.gz IIMSPENFGLDWCC-GWCFXTLKSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573652980 947949195 /nfs/dbraw/zinc/94/91/95/947949195.db2.gz IIMSPENFGLDWCC-GWCFXTLKSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573652982 947949310 /nfs/dbraw/zinc/94/93/10/947949310.db2.gz IIMSPENFGLDWCC-GXFFZTMASA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573652982 947949300 /nfs/dbraw/zinc/94/93/00/947949300.db2.gz IIMSPENFGLDWCC-GXFFZTMASA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573652984 947948576 /nfs/dbraw/zinc/94/85/76/947948576.db2.gz IIMSPENFGLDWCC-MFKMUULPSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573652984 947948569 /nfs/dbraw/zinc/94/85/69/947948569.db2.gz IIMSPENFGLDWCC-MFKMUULPSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573652986 947948539 /nfs/dbraw/zinc/94/85/39/947948539.db2.gz IIMSPENFGLDWCC-ZWNOBZJWSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573652986 947948537 /nfs/dbraw/zinc/94/85/37/947948537.db2.gz IIMSPENFGLDWCC-ZWNOBZJWSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573653052 947951609 /nfs/dbraw/zinc/95/16/09/947951609.db2.gz IWQQLTSGXYQHOJ-HTRCEHHLSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573653052 947951599 /nfs/dbraw/zinc/95/15/99/947951599.db2.gz IWQQLTSGXYQHOJ-HTRCEHHLSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573653056 947950563 /nfs/dbraw/zinc/95/05/63/947950563.db2.gz IWQQLTSGXYQHOJ-POYBYMJQSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573653056 947950558 /nfs/dbraw/zinc/95/05/58/947950558.db2.gz IWQQLTSGXYQHOJ-POYBYMJQSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573653057 947951961 /nfs/dbraw/zinc/95/19/61/947951961.db2.gz IWQQLTSGXYQHOJ-SVRRBLITSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573653057 947951958 /nfs/dbraw/zinc/95/19/58/947951958.db2.gz IWQQLTSGXYQHOJ-SVRRBLITSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573653059 947950912 /nfs/dbraw/zinc/95/09/12/947950912.db2.gz IWQQLTSGXYQHOJ-XPUUQOCRSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573653059 947950906 /nfs/dbraw/zinc/95/09/06/947950906.db2.gz IWQQLTSGXYQHOJ-XPUUQOCRSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573653078 947950817 /nfs/dbraw/zinc/95/08/17/947950817.db2.gz IYYMYMGAHRCDGB-GWCFXTLKSA-N -1 3 391.432 -0.536 20 0 GBADHM 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C[C@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573660055 948018635 /nfs/dbraw/zinc/01/86/35/948018635.db2.gz XMUYIPICCFOYGT-VHSXEESVSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573660056 948017707 /nfs/dbraw/zinc/01/77/07/948017707.db2.gz XMUYIPICCFOYGT-ZJUUUORDSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@H](C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573660056 948017695 /nfs/dbraw/zinc/01/76/95/948017695.db2.gz XMUYIPICCFOYGT-ZJUUUORDSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573660085 948018475 /nfs/dbraw/zinc/01/84/75/948018475.db2.gz YNKMMHAYLNRNSH-HWPZZCPQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573660085 948018469 /nfs/dbraw/zinc/01/84/69/948018469.db2.gz YNKMMHAYLNRNSH-HWPZZCPQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573660086 948019209 /nfs/dbraw/zinc/01/92/09/948019209.db2.gz YNKMMHAYLNRNSH-MGPLVRAMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573660086 948019198 /nfs/dbraw/zinc/01/91/98/948019198.db2.gz YNKMMHAYLNRNSH-MGPLVRAMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573660087 948018615 /nfs/dbraw/zinc/01/86/15/948018615.db2.gz YNKMMHAYLNRNSH-QFYYESIMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573660087 948018609 /nfs/dbraw/zinc/01/86/09/948018609.db2.gz YNKMMHAYLNRNSH-QFYYESIMSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573660088 948017610 /nfs/dbraw/zinc/01/76/10/948017610.db2.gz YNKMMHAYLNRNSH-QLJPJBMISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@]1(C)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573660088 948017604 /nfs/dbraw/zinc/01/76/04/948017604.db2.gz YNKMMHAYLNRNSH-QLJPJBMISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NC(N)=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573660366 948021117 /nfs/dbraw/zinc/02/11/17/948021117.db2.gz ZNMCVTYPOPIMHE-BBBLOLIVSA-N -1 3 387.404 -0.933 20 0 GBADHM C[C@H](C(=O)NC(N)=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573660366 948021109 /nfs/dbraw/zinc/02/11/09/948021109.db2.gz ZNMCVTYPOPIMHE-BBBLOLIVSA-N -1 3 387.404 -0.933 20 0 GBADHM C[C@@H](C(=O)NC(N)=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573660370 948021316 /nfs/dbraw/zinc/02/13/16/948021316.db2.gz ZNMCVTYPOPIMHE-LPEHRKFASA-N -1 3 387.404 -0.933 20 0 GBADHM C[C@@H](C(=O)NC(N)=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573660370 948021306 /nfs/dbraw/zinc/02/13/06/948021306.db2.gz ZNMCVTYPOPIMHE-LPEHRKFASA-N -1 3 387.404 -0.933 20 0 GBADHM C[C@H](C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573661984 948022675 /nfs/dbraw/zinc/02/26/75/948022675.db2.gz ASDHZIPEZROGHX-KPPDAEKUSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573661984 948022667 /nfs/dbraw/zinc/02/26/67/948022667.db2.gz ASDHZIPEZROGHX-KPPDAEKUSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573661986 948023818 /nfs/dbraw/zinc/02/38/18/948023818.db2.gz ASDHZIPEZROGHX-WHXUTIOJSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573661986 948023808 /nfs/dbraw/zinc/02/38/08/948023808.db2.gz ASDHZIPEZROGHX-WHXUTIOJSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573663124 948033374 /nfs/dbraw/zinc/03/33/74/948033374.db2.gz JHVJEBCIMDDSET-CMPLNLGQSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573663124 948033369 /nfs/dbraw/zinc/03/33/69/948033369.db2.gz JHVJEBCIMDDSET-CMPLNLGQSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573663125 948031970 /nfs/dbraw/zinc/03/19/70/948031970.db2.gz JHVJEBCIMDDSET-JQWIXIFHSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573663125 948031966 /nfs/dbraw/zinc/03/19/66/948031966.db2.gz JHVJEBCIMDDSET-JQWIXIFHSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573663126 948032894 /nfs/dbraw/zinc/03/28/94/948032894.db2.gz JHVJEBCIMDDSET-PWSUYJOCSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573663126 948032887 /nfs/dbraw/zinc/03/28/87/948032887.db2.gz JHVJEBCIMDDSET-PWSUYJOCSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573663127 948032013 /nfs/dbraw/zinc/03/20/13/948032013.db2.gz JHVJEBCIMDDSET-ZYHUDNBSSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573663127 948032008 /nfs/dbraw/zinc/03/20/08/948032008.db2.gz JHVJEBCIMDDSET-ZYHUDNBSSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573663314 948034439 /nfs/dbraw/zinc/03/44/39/948034439.db2.gz LCYYSWGCBWWEBU-BMQDGWLCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573663314 948034433 /nfs/dbraw/zinc/03/44/33/948034433.db2.gz LCYYSWGCBWWEBU-BMQDGWLCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573663315 948034356 /nfs/dbraw/zinc/03/43/56/948034356.db2.gz LCYYSWGCBWWEBU-GRZMOONWSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573663315 948034352 /nfs/dbraw/zinc/03/43/52/948034352.db2.gz LCYYSWGCBWWEBU-GRZMOONWSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573663731 948038592 /nfs/dbraw/zinc/03/85/92/948038592.db2.gz PCRKEOZLBNXJCJ-JTQLQIEISA-N -1 3 388.432 -0.972 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573663731 948038584 /nfs/dbraw/zinc/03/85/84/948038584.db2.gz PCRKEOZLBNXJCJ-JTQLQIEISA-N -1 3 388.432 -0.972 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573663732 948039983 /nfs/dbraw/zinc/03/99/83/948039983.db2.gz PCRKEOZLBNXJCJ-SNVBAGLBSA-N -1 3 388.432 -0.972 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573663732 948039975 /nfs/dbraw/zinc/03/99/75/948039975.db2.gz PCRKEOZLBNXJCJ-SNVBAGLBSA-N -1 3 388.432 -0.972 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573663995 948042863 /nfs/dbraw/zinc/04/28/63/948042863.db2.gz QHBMGYDDTSRNEE-GWCFXTLKSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573663995 948042856 /nfs/dbraw/zinc/04/28/56/948042856.db2.gz QHBMGYDDTSRNEE-GWCFXTLKSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573663996 948044969 /nfs/dbraw/zinc/04/49/69/948044969.db2.gz QHBMGYDDTSRNEE-GXFFZTMASA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573663996 948044959 /nfs/dbraw/zinc/04/49/59/948044959.db2.gz QHBMGYDDTSRNEE-GXFFZTMASA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573663997 948044102 /nfs/dbraw/zinc/04/41/02/948044102.db2.gz QHBMGYDDTSRNEE-MFKMUULPSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573663997 948044098 /nfs/dbraw/zinc/04/40/98/948044098.db2.gz QHBMGYDDTSRNEE-MFKMUULPSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573663998 948043681 /nfs/dbraw/zinc/04/36/81/948043681.db2.gz QHBMGYDDTSRNEE-ZWNOBZJWSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573663998 948043671 /nfs/dbraw/zinc/04/36/71/948043671.db2.gz QHBMGYDDTSRNEE-ZWNOBZJWSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573664046 948047048 /nfs/dbraw/zinc/04/70/48/948047048.db2.gz RIHSCEGXPIMGGB-GCVQQVDUSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573664046 948047041 /nfs/dbraw/zinc/04/70/41/948047041.db2.gz RIHSCEGXPIMGGB-GCVQQVDUSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573664047 948045817 /nfs/dbraw/zinc/04/58/17/948045817.db2.gz RIHSCEGXPIMGGB-OIKLOGQESA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)NC1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573664047 948045809 /nfs/dbraw/zinc/04/58/09/948045809.db2.gz RIHSCEGXPIMGGB-OIKLOGQESA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573664087 948049002 /nfs/dbraw/zinc/04/90/02/948049002.db2.gz RYJALHUBTUQCNU-JTQLQIEISA-N -1 3 388.432 -0.972 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573664087 948048993 /nfs/dbraw/zinc/04/89/93/948048993.db2.gz RYJALHUBTUQCNU-JTQLQIEISA-N -1 3 388.432 -0.972 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573664228 948050174 /nfs/dbraw/zinc/05/01/74/948050174.db2.gz RYJALHUBTUQCNU-SNVBAGLBSA-N -1 3 388.432 -0.972 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573664228 948050161 /nfs/dbraw/zinc/05/01/61/948050161.db2.gz RYJALHUBTUQCNU-SNVBAGLBSA-N -1 3 388.432 -0.972 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573664298 948051516 /nfs/dbraw/zinc/05/15/16/948051516.db2.gz SXPRQFDBOCNZJW-JTQLQIEISA-N -1 3 388.432 -0.972 20 0 GBADHM C[C@@H](C(=O)NC1CC1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573664298 948051504 /nfs/dbraw/zinc/05/15/04/948051504.db2.gz SXPRQFDBOCNZJW-JTQLQIEISA-N -1 3 388.432 -0.972 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573664299 948051593 /nfs/dbraw/zinc/05/15/93/948051593.db2.gz SXPRQFDBOCNZJW-SNVBAGLBSA-N -1 3 388.432 -0.972 20 0 GBADHM C[C@H](C(=O)NC1CC1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573664299 948051587 /nfs/dbraw/zinc/05/15/87/948051587.db2.gz SXPRQFDBOCNZJW-SNVBAGLBSA-N -1 3 388.432 -0.972 20 0 GBADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573664367 948054092 /nfs/dbraw/zinc/05/40/92/948054092.db2.gz USRGJDHGHVAKBT-BMQDGWLCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573664367 948054084 /nfs/dbraw/zinc/05/40/84/948054084.db2.gz USRGJDHGHVAKBT-BMQDGWLCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573664368 948054038 /nfs/dbraw/zinc/05/40/38/948054038.db2.gz USRGJDHGHVAKBT-GRZMOONWSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573664368 948054030 /nfs/dbraw/zinc/05/40/30/948054030.db2.gz USRGJDHGHVAKBT-GRZMOONWSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573664736 948059413 /nfs/dbraw/zinc/05/94/13/948059413.db2.gz GLKCQOUYRFRVAA-GHMZBOCLSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573664736 948059406 /nfs/dbraw/zinc/05/94/06/948059406.db2.gz GLKCQOUYRFRVAA-GHMZBOCLSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573664737 948060056 /nfs/dbraw/zinc/06/00/56/948060056.db2.gz GLKCQOUYRFRVAA-MNOVXSKESA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573664737 948060047 /nfs/dbraw/zinc/06/00/47/948060047.db2.gz GLKCQOUYRFRVAA-MNOVXSKESA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573664738 948061138 /nfs/dbraw/zinc/06/11/38/948061138.db2.gz GLKCQOUYRFRVAA-QWRGUYRKSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573664738 948061128 /nfs/dbraw/zinc/06/11/28/948061128.db2.gz GLKCQOUYRFRVAA-QWRGUYRKSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573664739 948059507 /nfs/dbraw/zinc/05/95/07/948059507.db2.gz GLKCQOUYRFRVAA-WDEREUQCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573664739 948059500 /nfs/dbraw/zinc/05/95/00/948059500.db2.gz GLKCQOUYRFRVAA-WDEREUQCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573665492 948074408 /nfs/dbraw/zinc/07/44/08/948074408.db2.gz LVHQRMWNFCELOE-CMPLNLGQSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573665492 948074402 /nfs/dbraw/zinc/07/44/02/948074402.db2.gz LVHQRMWNFCELOE-CMPLNLGQSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573665494 948075635 /nfs/dbraw/zinc/07/56/35/948075635.db2.gz LVHQRMWNFCELOE-JQWIXIFHSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573665494 948075626 /nfs/dbraw/zinc/07/56/26/948075626.db2.gz LVHQRMWNFCELOE-JQWIXIFHSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573665496 948075864 /nfs/dbraw/zinc/07/58/64/948075864.db2.gz LVHQRMWNFCELOE-PWSUYJOCSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573665496 948075855 /nfs/dbraw/zinc/07/58/55/948075855.db2.gz LVHQRMWNFCELOE-PWSUYJOCSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573665499 948075579 /nfs/dbraw/zinc/07/55/79/948075579.db2.gz LVHQRMWNFCELOE-ZYHUDNBSSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573665499 948075564 /nfs/dbraw/zinc/07/55/64/948075564.db2.gz LVHQRMWNFCELOE-ZYHUDNBSSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573665848 948076569 /nfs/dbraw/zinc/07/65/69/948076569.db2.gz NRGRHZPNDMTLEV-GHMZBOCLSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573665848 948076556 /nfs/dbraw/zinc/07/65/56/948076556.db2.gz NRGRHZPNDMTLEV-GHMZBOCLSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573665850 948078069 /nfs/dbraw/zinc/07/80/69/948078069.db2.gz NRGRHZPNDMTLEV-MNOVXSKESA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573665850 948078060 /nfs/dbraw/zinc/07/80/60/948078060.db2.gz NRGRHZPNDMTLEV-MNOVXSKESA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573665852 948077657 /nfs/dbraw/zinc/07/76/57/948077657.db2.gz NRGRHZPNDMTLEV-QWRGUYRKSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573665852 948077650 /nfs/dbraw/zinc/07/76/50/948077650.db2.gz NRGRHZPNDMTLEV-QWRGUYRKSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573665855 948078182 /nfs/dbraw/zinc/07/81/82/948078182.db2.gz NRGRHZPNDMTLEV-WDEREUQCSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573665855 948078171 /nfs/dbraw/zinc/07/81/71/948078171.db2.gz NRGRHZPNDMTLEV-WDEREUQCSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cncn1 ZINC001573666026 948080248 /nfs/dbraw/zinc/08/02/48/948080248.db2.gz OXXMEAJBLFBASH-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cncn1 ZINC001573666026 948080236 /nfs/dbraw/zinc/08/02/36/948080236.db2.gz OXXMEAJBLFBASH-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)n1cncn1 ZINC001573666027 948079260 /nfs/dbraw/zinc/07/92/60/948079260.db2.gz OXXMEAJBLFBASH-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)n1cncn1 ZINC001573666027 948079254 /nfs/dbraw/zinc/07/92/54/948079254.db2.gz OXXMEAJBLFBASH-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573666874 948094128 /nfs/dbraw/zinc/09/41/28/948094128.db2.gz XDDLIKCEXCRRSK-CMPLNLGQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573666874 948094120 /nfs/dbraw/zinc/09/41/20/948094120.db2.gz XDDLIKCEXCRRSK-CMPLNLGQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573666875 948094677 /nfs/dbraw/zinc/09/46/77/948094677.db2.gz XDDLIKCEXCRRSK-JQWIXIFHSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573666875 948094668 /nfs/dbraw/zinc/09/46/68/948094668.db2.gz XDDLIKCEXCRRSK-JQWIXIFHSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573666876 948095422 /nfs/dbraw/zinc/09/54/22/948095422.db2.gz XDDLIKCEXCRRSK-PWSUYJOCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573666876 948095412 /nfs/dbraw/zinc/09/54/12/948095412.db2.gz XDDLIKCEXCRRSK-PWSUYJOCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573666877 948095180 /nfs/dbraw/zinc/09/51/80/948095180.db2.gz XDDLIKCEXCRRSK-ZYHUDNBSSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573666877 948095171 /nfs/dbraw/zinc/09/51/71/948095171.db2.gz XDDLIKCEXCRRSK-ZYHUDNBSSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573667075 948093979 /nfs/dbraw/zinc/09/39/79/948093979.db2.gz XPYIBSQSVGGUSG-CMPLNLGQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573667075 948093968 /nfs/dbraw/zinc/09/39/68/948093968.db2.gz XPYIBSQSVGGUSG-CMPLNLGQSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573667078 948094802 /nfs/dbraw/zinc/09/48/02/948094802.db2.gz XPYIBSQSVGGUSG-JQWIXIFHSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573667078 948094792 /nfs/dbraw/zinc/09/47/92/948094792.db2.gz XPYIBSQSVGGUSG-JQWIXIFHSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573667081 948095686 /nfs/dbraw/zinc/09/56/86/948095686.db2.gz XPYIBSQSVGGUSG-PWSUYJOCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573667081 948095680 /nfs/dbraw/zinc/09/56/80/948095680.db2.gz XPYIBSQSVGGUSG-PWSUYJOCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573667083 948094903 /nfs/dbraw/zinc/09/49/03/948094903.db2.gz XPYIBSQSVGGUSG-ZYHUDNBSSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573667083 948094894 /nfs/dbraw/zinc/09/48/94/948094894.db2.gz XPYIBSQSVGGUSG-ZYHUDNBSSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cncn1 ZINC001573667351 948098001 /nfs/dbraw/zinc/09/80/01/948098001.db2.gz ZBPLVBYKIFWKKT-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cncn1 ZINC001573667351 948097989 /nfs/dbraw/zinc/09/79/89/948097989.db2.gz ZBPLVBYKIFWKKT-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)n1cncn1 ZINC001573667353 948097503 /nfs/dbraw/zinc/09/75/03/948097503.db2.gz ZBPLVBYKIFWKKT-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NC1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)n1cncn1 ZINC001573667353 948097493 /nfs/dbraw/zinc/09/74/93/948097493.db2.gz ZBPLVBYKIFWKKT-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)S(C)(=O)=O ZINC001573670722 948104273 /nfs/dbraw/zinc/10/42/73/948104273.db2.gz CXFRMYFVUCAFJC-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)S(C)(=O)=O ZINC001573670722 948104264 /nfs/dbraw/zinc/10/42/64/948104264.db2.gz CXFRMYFVUCAFJC-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)S(C)(=O)=O ZINC001573670725 948104219 /nfs/dbraw/zinc/10/42/19/948104219.db2.gz CXFRMYFVUCAFJC-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)S(C)(=O)=O ZINC001573670725 948104212 /nfs/dbraw/zinc/10/42/12/948104212.db2.gz CXFRMYFVUCAFJC-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cncn1 ZINC001573672137 948108421 /nfs/dbraw/zinc/10/84/21/948108421.db2.gz HEVPAIFQBOBMIH-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cncn1 ZINC001573672137 948108414 /nfs/dbraw/zinc/10/84/14/948108414.db2.gz HEVPAIFQBOBMIH-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)n1cncn1 ZINC001573672138 948107628 /nfs/dbraw/zinc/10/76/28/948107628.db2.gz HEVPAIFQBOBMIH-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NC1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)n1cncn1 ZINC001573672138 948107624 /nfs/dbraw/zinc/10/76/24/948107624.db2.gz HEVPAIFQBOBMIH-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573672220 948109057 /nfs/dbraw/zinc/10/90/57/948109057.db2.gz IKIRWGIRGPSLAO-BXUZGUMPSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573672221 948110019 /nfs/dbraw/zinc/11/00/19/948110019.db2.gz IKIRWGIRGPSLAO-FZMZJTMJSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573672222 948109502 /nfs/dbraw/zinc/10/95/02/948109502.db2.gz IKIRWGIRGPSLAO-RISCZKNCSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573672224 948110073 /nfs/dbraw/zinc/11/00/73/948110073.db2.gz IKIRWGIRGPSLAO-SMDDNHRTSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573672227 948109987 /nfs/dbraw/zinc/10/99/87/948109987.db2.gz ILJMAWUMPDEBEP-BXUZGUMPSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573672229 948109992 /nfs/dbraw/zinc/10/99/92/948109992.db2.gz ILJMAWUMPDEBEP-FZMZJTMJSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573672231 948109901 /nfs/dbraw/zinc/10/99/01/948109901.db2.gz ILJMAWUMPDEBEP-RISCZKNCSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573672233 948109177 /nfs/dbraw/zinc/10/91/77/948109177.db2.gz ILJMAWUMPDEBEP-SMDDNHRTSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)S(C)(=O)=O ZINC001573673201 948114018 /nfs/dbraw/zinc/11/40/18/948114018.db2.gz KHAMNMACDWZXHF-PSASIEDQSA-N -1 3 383.409 -0.471 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)S(C)(=O)=O ZINC001573673201 948114014 /nfs/dbraw/zinc/11/40/14/948114014.db2.gz KHAMNMACDWZXHF-PSASIEDQSA-N -1 3 383.409 -0.471 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)S(C)(=O)=O ZINC001573673203 948113341 /nfs/dbraw/zinc/11/33/41/948113341.db2.gz KHAMNMACDWZXHF-SCZZXKLOSA-N -1 3 383.409 -0.471 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)S(C)(=O)=O ZINC001573673203 948113335 /nfs/dbraw/zinc/11/33/35/948113335.db2.gz KHAMNMACDWZXHF-SCZZXKLOSA-N -1 3 383.409 -0.471 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)S(C)(=O)=O ZINC001573673204 948112793 /nfs/dbraw/zinc/11/27/93/948112793.db2.gz KHAMNMACDWZXHF-WCBMZHEXSA-N -1 3 383.409 -0.471 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)S(C)(=O)=O ZINC001573673204 948112786 /nfs/dbraw/zinc/11/27/86/948112786.db2.gz KHAMNMACDWZXHF-WCBMZHEXSA-N -1 3 383.409 -0.471 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)S(C)(=O)=O ZINC001573673205 948113618 /nfs/dbraw/zinc/11/36/18/948113618.db2.gz KHAMNMACDWZXHF-WPRPVWTQSA-N -1 3 383.409 -0.471 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)S(C)(=O)=O ZINC001573673205 948113614 /nfs/dbraw/zinc/11/36/14/948113614.db2.gz KHAMNMACDWZXHF-WPRPVWTQSA-N -1 3 383.409 -0.471 20 0 GBADHM C[C@@H](C(=O)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573675919 948124269 /nfs/dbraw/zinc/12/42/69/948124269.db2.gz RSAKRWCMOFLDJP-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573675919 948124264 /nfs/dbraw/zinc/12/42/64/948124264.db2.gz RSAKRWCMOFLDJP-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)NC1CCN(c2ncccc2-c2nn[n-]n2)CC1)S(C)(=O)=O ZINC001573675920 948124918 /nfs/dbraw/zinc/12/49/18/948124918.db2.gz RSAKRWCMOFLDJP-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)NC1CCN(c2ncccc2-c2nnn[n-]2)CC1)S(C)(=O)=O ZINC001573675920 948124912 /nfs/dbraw/zinc/12/49/12/948124912.db2.gz RSAKRWCMOFLDJP-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)N1C(=O)CCC1=O ZINC001573676201 948125538 /nfs/dbraw/zinc/12/55/38/948125538.db2.gz SNONRXBWFVWEPC-GHMZBOCLSA-N -1 3 384.400 -0.506 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)N1C(=O)CCC1=O ZINC001573676201 948125527 /nfs/dbraw/zinc/12/55/27/948125527.db2.gz SNONRXBWFVWEPC-GHMZBOCLSA-N -1 3 384.400 -0.506 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)N1C(=O)CCC1=O ZINC001573676202 948125585 /nfs/dbraw/zinc/12/55/85/948125585.db2.gz SNONRXBWFVWEPC-MNOVXSKESA-N -1 3 384.400 -0.506 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)N1C(=O)CCC1=O ZINC001573676202 948125579 /nfs/dbraw/zinc/12/55/79/948125579.db2.gz SNONRXBWFVWEPC-MNOVXSKESA-N -1 3 384.400 -0.506 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)N1C(=O)CCC1=O ZINC001573676203 948124313 /nfs/dbraw/zinc/12/43/13/948124313.db2.gz SNONRXBWFVWEPC-QWRGUYRKSA-N -1 3 384.400 -0.506 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)N1C(=O)CCC1=O ZINC001573676203 948124306 /nfs/dbraw/zinc/12/43/06/948124306.db2.gz SNONRXBWFVWEPC-QWRGUYRKSA-N -1 3 384.400 -0.506 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)N1C(=O)CCC1=O ZINC001573676204 948125324 /nfs/dbraw/zinc/12/53/24/948125324.db2.gz SNONRXBWFVWEPC-WDEREUQCSA-N -1 3 384.400 -0.506 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)N1C(=O)CCC1=O ZINC001573676204 948125315 /nfs/dbraw/zinc/12/53/15/948125315.db2.gz SNONRXBWFVWEPC-WDEREUQCSA-N -1 3 384.400 -0.506 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573676854 948130855 /nfs/dbraw/zinc/13/08/55/948130855.db2.gz AWIXLIBFUAZXLP-BQBZGAKWSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573676854 948130853 /nfs/dbraw/zinc/13/08/53/948130853.db2.gz AWIXLIBFUAZXLP-BQBZGAKWSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573676856 948130233 /nfs/dbraw/zinc/13/02/33/948130233.db2.gz AWIXLIBFUAZXLP-NKWVEPMBSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573676856 948130228 /nfs/dbraw/zinc/13/02/28/948130228.db2.gz AWIXLIBFUAZXLP-NKWVEPMBSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573676858 948130754 /nfs/dbraw/zinc/13/07/54/948130754.db2.gz AWIXLIBFUAZXLP-RNFRBKRXSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573676858 948130747 /nfs/dbraw/zinc/13/07/47/948130747.db2.gz AWIXLIBFUAZXLP-RNFRBKRXSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573676860 948130874 /nfs/dbraw/zinc/13/08/74/948130874.db2.gz AWIXLIBFUAZXLP-RQJHMYQMSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573676860 948130870 /nfs/dbraw/zinc/13/08/70/948130870.db2.gz AWIXLIBFUAZXLP-RQJHMYQMSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573677372 948136088 /nfs/dbraw/zinc/13/60/88/948136088.db2.gz DBJWWXXOWQHALO-CMPLNLGQSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573677372 948136080 /nfs/dbraw/zinc/13/60/80/948136080.db2.gz DBJWWXXOWQHALO-CMPLNLGQSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573677373 948136039 /nfs/dbraw/zinc/13/60/39/948136039.db2.gz DBJWWXXOWQHALO-JQWIXIFHSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573677373 948136032 /nfs/dbraw/zinc/13/60/32/948136032.db2.gz DBJWWXXOWQHALO-JQWIXIFHSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573677374 948135762 /nfs/dbraw/zinc/13/57/62/948135762.db2.gz DBJWWXXOWQHALO-PWSUYJOCSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573677374 948135751 /nfs/dbraw/zinc/13/57/51/948135751.db2.gz DBJWWXXOWQHALO-PWSUYJOCSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1cccnc1 ZINC001573677375 948136164 /nfs/dbraw/zinc/13/61/64/948136164.db2.gz DBJWWXXOWQHALO-ZYHUDNBSSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1cccnc1 ZINC001573677375 948136156 /nfs/dbraw/zinc/13/61/56/948136156.db2.gz DBJWWXXOWQHALO-ZYHUDNBSSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573677968 948144958 /nfs/dbraw/zinc/14/49/58/948144958.db2.gz BRNQEDPLKRPTLR-GWCFXTLKSA-N -1 3 389.395 -0.575 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573677970 948145075 /nfs/dbraw/zinc/14/50/75/948145075.db2.gz BRNQEDPLKRPTLR-GXFFZTMASA-N -1 3 389.395 -0.575 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573677972 948146040 /nfs/dbraw/zinc/14/60/40/948146040.db2.gz BRNQEDPLKRPTLR-MFKMUULPSA-N -1 3 389.395 -0.575 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573677974 948145751 /nfs/dbraw/zinc/14/57/51/948145751.db2.gz BRNQEDPLKRPTLR-ZWNOBZJWSA-N -1 3 389.395 -0.575 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573678579 948153361 /nfs/dbraw/zinc/15/33/61/948153361.db2.gz FINPUSBTBLSYOG-PSASIEDQSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573678579 948153355 /nfs/dbraw/zinc/15/33/55/948153355.db2.gz FINPUSBTBLSYOG-PSASIEDQSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573678580 948153533 /nfs/dbraw/zinc/15/35/33/948153533.db2.gz FINPUSBTBLSYOG-SCZZXKLOSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573678580 948153524 /nfs/dbraw/zinc/15/35/24/948153524.db2.gz FINPUSBTBLSYOG-SCZZXKLOSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573678581 948152650 /nfs/dbraw/zinc/15/26/50/948152650.db2.gz FINPUSBTBLSYOG-WCBMZHEXSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573678581 948152641 /nfs/dbraw/zinc/15/26/41/948152641.db2.gz FINPUSBTBLSYOG-WCBMZHEXSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573678582 948153014 /nfs/dbraw/zinc/15/30/14/948153014.db2.gz FINPUSBTBLSYOG-WPRPVWTQSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573678582 948153009 /nfs/dbraw/zinc/15/30/09/948153009.db2.gz FINPUSBTBLSYOG-WPRPVWTQSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@H](C(=O)NCC(F)(F)F)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573678700 948155131 /nfs/dbraw/zinc/15/51/31/948155131.db2.gz GMPNHAVYMSLYLI-SSDOTTSWSA-N -1 3 386.338 -0.324 20 0 GBADHM C[C@H](C(=O)NCC(F)(F)F)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573678700 948155123 /nfs/dbraw/zinc/15/51/23/948155123.db2.gz GMPNHAVYMSLYLI-SSDOTTSWSA-N -1 3 386.338 -0.324 20 0 GBADHM C[C@@H](C(=O)NCC(F)(F)F)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573678702 948155317 /nfs/dbraw/zinc/15/53/17/948155317.db2.gz GMPNHAVYMSLYLI-ZETCQYMHSA-N -1 3 386.338 -0.324 20 0 GBADHM C[C@@H](C(=O)NCC(F)(F)F)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573678702 948155312 /nfs/dbraw/zinc/15/53/12/948155312.db2.gz GMPNHAVYMSLYLI-ZETCQYMHSA-N -1 3 386.338 -0.324 20 0 GBADHM C[C@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)S(C)(=O)=O ZINC001573678822 948155441 /nfs/dbraw/zinc/15/54/41/948155441.db2.gz JDZNPULZDMEICE-SECBINFHSA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@H](C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)S(C)(=O)=O ZINC001573678822 948155434 /nfs/dbraw/zinc/15/54/34/948155434.db2.gz JDZNPULZDMEICE-SECBINFHSA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@@H](C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1)S(C)(=O)=O ZINC001573678824 948155506 /nfs/dbraw/zinc/15/55/06/948155506.db2.gz JDZNPULZDMEICE-VIFPVBQESA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@@H](C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1)S(C)(=O)=O ZINC001573678824 948155500 /nfs/dbraw/zinc/15/55/00/948155500.db2.gz JDZNPULZDMEICE-VIFPVBQESA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@H](C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573679570 948163523 /nfs/dbraw/zinc/16/35/23/948163523.db2.gz KXOUYPOCBQDZGB-SECBINFHSA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@H](C(=O)NC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573679570 948163515 /nfs/dbraw/zinc/16/35/15/948163515.db2.gz KXOUYPOCBQDZGB-SECBINFHSA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@@H](C(=O)NC1CN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573679571 948163835 /nfs/dbraw/zinc/16/38/35/948163835.db2.gz KXOUYPOCBQDZGB-VIFPVBQESA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@@H](C(=O)NC1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573679571 948163832 /nfs/dbraw/zinc/16/38/32/948163832.db2.gz KXOUYPOCBQDZGB-VIFPVBQESA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573679588 948164008 /nfs/dbraw/zinc/16/40/08/948164008.db2.gz LFOSCFCREMVHKD-GWCFXTLKSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573679588 948164004 /nfs/dbraw/zinc/16/40/04/948164004.db2.gz LFOSCFCREMVHKD-GWCFXTLKSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573679589 948163918 /nfs/dbraw/zinc/16/39/18/948163918.db2.gz LFOSCFCREMVHKD-GXFFZTMASA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573679589 948163913 /nfs/dbraw/zinc/16/39/13/948163913.db2.gz LFOSCFCREMVHKD-GXFFZTMASA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573679590 948164104 /nfs/dbraw/zinc/16/41/04/948164104.db2.gz LFOSCFCREMVHKD-MFKMUULPSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573679590 948164099 /nfs/dbraw/zinc/16/40/99/948164099.db2.gz LFOSCFCREMVHKD-MFKMUULPSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573679591 948163350 /nfs/dbraw/zinc/16/33/50/948163350.db2.gz LFOSCFCREMVHKD-ZWNOBZJWSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573679591 948163344 /nfs/dbraw/zinc/16/33/44/948163344.db2.gz LFOSCFCREMVHKD-ZWNOBZJWSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cncn1 ZINC001573679720 948165703 /nfs/dbraw/zinc/16/57/03/948165703.db2.gz JSRLRVMWPNFTDD-NOZJJQNGSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cncn1 ZINC001573679720 948165699 /nfs/dbraw/zinc/16/56/99/948165699.db2.gz JSRLRVMWPNFTDD-NOZJJQNGSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cncn1 ZINC001573679721 948165664 /nfs/dbraw/zinc/16/56/64/948165664.db2.gz JSRLRVMWPNFTDD-RNCFNFMXSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cncn1 ZINC001573679721 948165659 /nfs/dbraw/zinc/16/56/59/948165659.db2.gz JSRLRVMWPNFTDD-RNCFNFMXSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cncn1 ZINC001573679722 948166095 /nfs/dbraw/zinc/16/60/95/948166095.db2.gz JSRLRVMWPNFTDD-TVQRCGJNSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cncn1 ZINC001573679722 948166089 /nfs/dbraw/zinc/16/60/89/948166089.db2.gz JSRLRVMWPNFTDD-TVQRCGJNSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cncn1 ZINC001573679723 948165446 /nfs/dbraw/zinc/16/54/46/948165446.db2.gz JSRLRVMWPNFTDD-ZANVPECISA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cncn1 ZINC001573679723 948165423 /nfs/dbraw/zinc/16/54/23/948165423.db2.gz JSRLRVMWPNFTDD-ZANVPECISA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573679724 948167354 /nfs/dbraw/zinc/16/73/54/948167354.db2.gz JTLIZSPSJWDEAO-BDAKNGLRSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001573679724 948167347 /nfs/dbraw/zinc/16/73/47/948167347.db2.gz JTLIZSPSJWDEAO-BDAKNGLRSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573679725 948168301 /nfs/dbraw/zinc/16/83/01/948168301.db2.gz JTLIZSPSJWDEAO-DTWKUNHWSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001573679725 948168296 /nfs/dbraw/zinc/16/82/96/948168296.db2.gz JTLIZSPSJWDEAO-DTWKUNHWSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573679726 948167597 /nfs/dbraw/zinc/16/75/97/948167597.db2.gz JTLIZSPSJWDEAO-IUCAKERBSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001573679726 948167589 /nfs/dbraw/zinc/16/75/89/948167589.db2.gz JTLIZSPSJWDEAO-IUCAKERBSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573679727 948167409 /nfs/dbraw/zinc/16/74/09/948167409.db2.gz JTLIZSPSJWDEAO-RKDXNWHRSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001573679727 948167403 /nfs/dbraw/zinc/16/74/03/948167403.db2.gz JTLIZSPSJWDEAO-RKDXNWHRSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@H](C(=O)NCC(F)(F)F)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573680142 948173201 /nfs/dbraw/zinc/17/32/01/948173201.db2.gz MEEVIMYDLLQHCJ-MRVPVSSYSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@H](C(=O)NCC(F)(F)F)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573680142 948173195 /nfs/dbraw/zinc/17/31/95/948173195.db2.gz MEEVIMYDLLQHCJ-MRVPVSSYSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@@H](C(=O)NCC(F)(F)F)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573680143 948172623 /nfs/dbraw/zinc/17/26/23/948172623.db2.gz MEEVIMYDLLQHCJ-QMMMGPOBSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@@H](C(=O)NCC(F)(F)F)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573680143 948172617 /nfs/dbraw/zinc/17/26/17/948172617.db2.gz MEEVIMYDLLQHCJ-QMMMGPOBSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573680234 948175675 /nfs/dbraw/zinc/17/56/75/948175675.db2.gz OVUZQZXDMJZDHF-HTRCEHHLSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573680234 948175669 /nfs/dbraw/zinc/17/56/69/948175669.db2.gz OVUZQZXDMJZDHF-HTRCEHHLSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573680235 948174419 /nfs/dbraw/zinc/17/44/19/948174419.db2.gz OVUZQZXDMJZDHF-POYBYMJQSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573680235 948174416 /nfs/dbraw/zinc/17/44/16/948174416.db2.gz OVUZQZXDMJZDHF-POYBYMJQSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573680236 948175379 /nfs/dbraw/zinc/17/53/79/948175379.db2.gz OVUZQZXDMJZDHF-SVRRBLITSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573680236 948175376 /nfs/dbraw/zinc/17/53/76/948175376.db2.gz OVUZQZXDMJZDHF-SVRRBLITSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573680237 948175567 /nfs/dbraw/zinc/17/55/67/948175567.db2.gz OVUZQZXDMJZDHF-XPUUQOCRSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573680237 948175559 /nfs/dbraw/zinc/17/55/59/948175559.db2.gz OVUZQZXDMJZDHF-XPUUQOCRSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573680520 948182541 /nfs/dbraw/zinc/18/25/41/948182541.db2.gz QKNDCRHXKQJBOO-SECBINFHSA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573680520 948182538 /nfs/dbraw/zinc/18/25/38/948182538.db2.gz QKNDCRHXKQJBOO-SECBINFHSA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573680522 948182854 /nfs/dbraw/zinc/18/28/54/948182854.db2.gz QKNDCRHXKQJBOO-VIFPVBQESA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@@H](C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573680522 948182846 /nfs/dbraw/zinc/18/28/46/948182846.db2.gz QKNDCRHXKQJBOO-VIFPVBQESA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@H](C(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cncn1 ZINC001573680559 948181923 /nfs/dbraw/zinc/18/19/23/948181923.db2.gz ONADDYSCPGDKQW-NOZJJQNGSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cncn1 ZINC001573680559 948181915 /nfs/dbraw/zinc/18/19/15/948181915.db2.gz ONADDYSCPGDKQW-NOZJJQNGSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cncn1 ZINC001573680561 948181616 /nfs/dbraw/zinc/18/16/16/948181616.db2.gz ONADDYSCPGDKQW-RNCFNFMXSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cncn1 ZINC001573680561 948181609 /nfs/dbraw/zinc/18/16/09/948181609.db2.gz ONADDYSCPGDKQW-RNCFNFMXSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cncn1 ZINC001573680563 948181741 /nfs/dbraw/zinc/18/17/41/948181741.db2.gz ONADDYSCPGDKQW-TVQRCGJNSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cncn1 ZINC001573680563 948181736 /nfs/dbraw/zinc/18/17/36/948181736.db2.gz ONADDYSCPGDKQW-TVQRCGJNSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1)n1cncn1 ZINC001573680565 948183164 /nfs/dbraw/zinc/18/31/64/948183164.db2.gz ONADDYSCPGDKQW-ZANVPECISA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1)n1cncn1 ZINC001573680565 948183160 /nfs/dbraw/zinc/18/31/60/948183160.db2.gz ONADDYSCPGDKQW-ZANVPECISA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NCC(F)(F)F)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573680689 948186106 /nfs/dbraw/zinc/18/61/06/948186106.db2.gz PQPUTBBERPRKMB-SSDOTTSWSA-N -1 3 386.338 -0.324 20 0 GBADHM C[C@H](C(=O)NCC(F)(F)F)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573680689 948186098 /nfs/dbraw/zinc/18/60/98/948186098.db2.gz PQPUTBBERPRKMB-SSDOTTSWSA-N -1 3 386.338 -0.324 20 0 GBADHM C[C@@H](C(=O)NCC(F)(F)F)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573680690 948186687 /nfs/dbraw/zinc/18/66/87/948186687.db2.gz PQPUTBBERPRKMB-ZETCQYMHSA-N -1 3 386.338 -0.324 20 0 GBADHM C[C@@H](C(=O)NCC(F)(F)F)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573680690 948186684 /nfs/dbraw/zinc/18/66/84/948186684.db2.gz PQPUTBBERPRKMB-ZETCQYMHSA-N -1 3 386.338 -0.324 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001573681050 948194327 /nfs/dbraw/zinc/19/43/27/948194327.db2.gz RZDDXCKQWXVRKM-BXKDBHETSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001573681050 948194321 /nfs/dbraw/zinc/19/43/21/948194321.db2.gz RZDDXCKQWXVRKM-BXKDBHETSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001573681051 948194001 /nfs/dbraw/zinc/19/40/01/948194001.db2.gz RZDDXCKQWXVRKM-CABZTGNLSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001573681051 948193991 /nfs/dbraw/zinc/19/39/91/948193991.db2.gz RZDDXCKQWXVRKM-CABZTGNLSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001573681052 948193929 /nfs/dbraw/zinc/19/39/29/948193929.db2.gz RZDDXCKQWXVRKM-JOYOIKCWSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001573681052 948193922 /nfs/dbraw/zinc/19/39/22/948193922.db2.gz RZDDXCKQWXVRKM-JOYOIKCWSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001573681053 948193109 /nfs/dbraw/zinc/19/31/09/948193109.db2.gz RZDDXCKQWXVRKM-SKDRFNHKSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001573681053 948193106 /nfs/dbraw/zinc/19/31/06/948193106.db2.gz RZDDXCKQWXVRKM-SKDRFNHKSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573681148 948197801 /nfs/dbraw/zinc/19/78/01/948197801.db2.gz VFLJEFVOMVBYBS-GWCFXTLKSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573681148 948197798 /nfs/dbraw/zinc/19/77/98/948197798.db2.gz VFLJEFVOMVBYBS-GWCFXTLKSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573681149 948197736 /nfs/dbraw/zinc/19/77/36/948197736.db2.gz VFLJEFVOMVBYBS-GXFFZTMASA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573681149 948197732 /nfs/dbraw/zinc/19/77/32/948197732.db2.gz VFLJEFVOMVBYBS-GXFFZTMASA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573681150 948197390 /nfs/dbraw/zinc/19/73/90/948197390.db2.gz VFLJEFVOMVBYBS-MFKMUULPSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573681150 948197385 /nfs/dbraw/zinc/19/73/85/948197385.db2.gz VFLJEFVOMVBYBS-MFKMUULPSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573681151 948197874 /nfs/dbraw/zinc/19/78/74/948197874.db2.gz VFLJEFVOMVBYBS-ZWNOBZJWSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573681151 948197872 /nfs/dbraw/zinc/19/78/72/948197872.db2.gz VFLJEFVOMVBYBS-ZWNOBZJWSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573681237 948198678 /nfs/dbraw/zinc/19/86/78/948198678.db2.gz SXRLRHVULOAWHI-GXSJLCMTSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573681237 948198671 /nfs/dbraw/zinc/19/86/71/948198671.db2.gz SXRLRHVULOAWHI-GXSJLCMTSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573681239 948199526 /nfs/dbraw/zinc/19/95/26/948199526.db2.gz SXRLRHVULOAWHI-KOLCDFICSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573681239 948199521 /nfs/dbraw/zinc/19/95/21/948199521.db2.gz SXRLRHVULOAWHI-KOLCDFICSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573681240 948199181 /nfs/dbraw/zinc/19/91/81/948199181.db2.gz SXRLRHVULOAWHI-MWLCHTKSSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573681240 948199175 /nfs/dbraw/zinc/19/91/75/948199175.db2.gz SXRLRHVULOAWHI-MWLCHTKSSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573681241 948199660 /nfs/dbraw/zinc/19/96/60/948199660.db2.gz SXRLRHVULOAWHI-ONGXEEELSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573681241 948199654 /nfs/dbraw/zinc/19/96/54/948199654.db2.gz SXRLRHVULOAWHI-ONGXEEELSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)S(C)(=O)=O ZINC001573681354 948202326 /nfs/dbraw/zinc/20/23/26/948202326.db2.gz WHGSFEFXMCVJFK-SECBINFHSA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@@H](C(=O)NC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)S(C)(=O)=O ZINC001573681356 948200787 /nfs/dbraw/zinc/20/07/87/948200787.db2.gz WHGSFEFXMCVJFK-VIFPVBQESA-N -1 3 382.421 -0.261 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573681363 948200955 /nfs/dbraw/zinc/20/09/55/948200955.db2.gz VDYGTMMZNNGTDF-NXEZZACHSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573681363 948200948 /nfs/dbraw/zinc/20/09/48/948200948.db2.gz VDYGTMMZNNGTDF-NXEZZACHSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573681365 948201219 /nfs/dbraw/zinc/20/12/19/948201219.db2.gz VDYGTMMZNNGTDF-UWVGGRQHSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573681365 948201211 /nfs/dbraw/zinc/20/12/11/948201211.db2.gz VDYGTMMZNNGTDF-UWVGGRQHSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573681367 948202413 /nfs/dbraw/zinc/20/24/13/948202413.db2.gz VDYGTMMZNNGTDF-VHSXEESVSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573681367 948202406 /nfs/dbraw/zinc/20/24/06/948202406.db2.gz VDYGTMMZNNGTDF-VHSXEESVSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573681368 948201168 /nfs/dbraw/zinc/20/11/68/948201168.db2.gz VDYGTMMZNNGTDF-ZJUUUORDSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573681368 948201161 /nfs/dbraw/zinc/20/11/61/948201161.db2.gz VDYGTMMZNNGTDF-ZJUUUORDSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NCC(F)(F)F)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573681758 948211990 /nfs/dbraw/zinc/21/19/90/948211990.db2.gz XOPZVYCECFIQLW-MRVPVSSYSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@@H](C(=O)NCC(F)(F)F)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573681759 948212933 /nfs/dbraw/zinc/21/29/33/948212933.db2.gz XOPZVYCECFIQLW-QMMMGPOBSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573681856 948215150 /nfs/dbraw/zinc/21/51/50/948215150.db2.gz YBBJTRXNGVVYOA-PSASIEDQSA-N -1 3 376.356 -0.858 20 0 GBADHM C[C@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573681856 948215145 /nfs/dbraw/zinc/21/51/45/948215145.db2.gz YBBJTRXNGVVYOA-PSASIEDQSA-N -1 3 376.356 -0.858 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573681857 948215064 /nfs/dbraw/zinc/21/50/64/948215064.db2.gz YBBJTRXNGVVYOA-SCZZXKLOSA-N -1 3 376.356 -0.858 20 0 GBADHM C[C@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573681857 948215058 /nfs/dbraw/zinc/21/50/58/948215058.db2.gz YBBJTRXNGVVYOA-SCZZXKLOSA-N -1 3 376.356 -0.858 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573681858 948213862 /nfs/dbraw/zinc/21/38/62/948213862.db2.gz YBBJTRXNGVVYOA-WCBMZHEXSA-N -1 3 376.356 -0.858 20 0 GBADHM C[C@@H](C(=O)NC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573681858 948213850 /nfs/dbraw/zinc/21/38/50/948213850.db2.gz YBBJTRXNGVVYOA-WCBMZHEXSA-N -1 3 376.356 -0.858 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)cc1F)n1cncn1 ZINC001573681859 948215631 /nfs/dbraw/zinc/21/56/31/948215631.db2.gz YBBJTRXNGVVYOA-WPRPVWTQSA-N -1 3 376.356 -0.858 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)cc1F)n1cncn1 ZINC001573681859 948215624 /nfs/dbraw/zinc/21/56/24/948215624.db2.gz YBBJTRXNGVVYOA-WPRPVWTQSA-N -1 3 376.356 -0.858 20 0 GBADHM C[C@H](C(=O)NCC(F)(F)F)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573681868 948217264 /nfs/dbraw/zinc/21/72/64/948217264.db2.gz YGMSKPOTUMNFMH-MRVPVSSYSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@@H](C(=O)NCC(F)(F)F)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573681869 948217569 /nfs/dbraw/zinc/21/75/69/948217569.db2.gz YGMSKPOTUMNFMH-QMMMGPOBSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)S(C)(=O)=O ZINC001573689910 948220333 /nfs/dbraw/zinc/22/03/33/948220333.db2.gz AFTLNXZNTKPBAZ-MRVPVSSYSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)S(C)(=O)=O ZINC001573689910 948220324 /nfs/dbraw/zinc/22/03/24/948220324.db2.gz AFTLNXZNTKPBAZ-MRVPVSSYSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)S(C)(=O)=O ZINC001573689911 948221005 /nfs/dbraw/zinc/22/10/05/948221005.db2.gz AFTLNXZNTKPBAZ-QMMMGPOBSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)S(C)(=O)=O ZINC001573689911 948220999 /nfs/dbraw/zinc/22/09/99/948220999.db2.gz AFTLNXZNTKPBAZ-QMMMGPOBSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573689930 948220859 /nfs/dbraw/zinc/22/08/59/948220859.db2.gz ARLNPSIJUZIPKF-NXEZZACHSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573689930 948220849 /nfs/dbraw/zinc/22/08/49/948220849.db2.gz ARLNPSIJUZIPKF-NXEZZACHSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573689931 948220952 /nfs/dbraw/zinc/22/09/52/948220952.db2.gz ARLNPSIJUZIPKF-UWVGGRQHSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573689931 948220946 /nfs/dbraw/zinc/22/09/46/948220946.db2.gz ARLNPSIJUZIPKF-UWVGGRQHSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573689932 948221529 /nfs/dbraw/zinc/22/15/29/948221529.db2.gz ARLNPSIJUZIPKF-VHSXEESVSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573689932 948221519 /nfs/dbraw/zinc/22/15/19/948221519.db2.gz ARLNPSIJUZIPKF-VHSXEESVSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573689933 948221170 /nfs/dbraw/zinc/22/11/70/948221170.db2.gz ARLNPSIJUZIPKF-ZJUUUORDSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573689933 948221162 /nfs/dbraw/zinc/22/11/62/948221162.db2.gz ARLNPSIJUZIPKF-ZJUUUORDSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573689952 948220736 /nfs/dbraw/zinc/22/07/36/948220736.db2.gz AYPMITHKZRTLGN-CMPLNLGQSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573689952 948220725 /nfs/dbraw/zinc/22/07/25/948220725.db2.gz AYPMITHKZRTLGN-CMPLNLGQSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573689953 948221920 /nfs/dbraw/zinc/22/19/20/948221920.db2.gz AYPMITHKZRTLGN-JQWIXIFHSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573689953 948221914 /nfs/dbraw/zinc/22/19/14/948221914.db2.gz AYPMITHKZRTLGN-JQWIXIFHSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573689954 948220303 /nfs/dbraw/zinc/22/03/03/948220303.db2.gz AYPMITHKZRTLGN-PWSUYJOCSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573689954 948220293 /nfs/dbraw/zinc/22/02/93/948220293.db2.gz AYPMITHKZRTLGN-PWSUYJOCSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573689955 948220191 /nfs/dbraw/zinc/22/01/91/948220191.db2.gz AYPMITHKZRTLGN-ZYHUDNBSSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573689955 948220184 /nfs/dbraw/zinc/22/01/84/948220184.db2.gz AYPMITHKZRTLGN-ZYHUDNBSSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC001573690288 948223818 /nfs/dbraw/zinc/22/38/18/948223818.db2.gz CMXOZBPCAHXZEY-MRVPVSSYSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)S(C)(=O)=O ZINC001573690289 948223281 /nfs/dbraw/zinc/22/32/81/948223281.db2.gz CMXOZBPCAHXZEY-QMMMGPOBSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573690294 948223924 /nfs/dbraw/zinc/22/39/24/948223924.db2.gz CQGGZDOFWDEBIB-AAEUAGOBSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573690294 948223913 /nfs/dbraw/zinc/22/39/13/948223913.db2.gz CQGGZDOFWDEBIB-AAEUAGOBSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573690295 948223752 /nfs/dbraw/zinc/22/37/52/948223752.db2.gz CQGGZDOFWDEBIB-DGCLKSJQSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573690295 948223741 /nfs/dbraw/zinc/22/37/41/948223741.db2.gz CQGGZDOFWDEBIB-DGCLKSJQSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573690296 948223140 /nfs/dbraw/zinc/22/31/40/948223140.db2.gz CQGGZDOFWDEBIB-WCQYABFASA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573690296 948223134 /nfs/dbraw/zinc/22/31/34/948223134.db2.gz CQGGZDOFWDEBIB-WCQYABFASA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573690297 948222571 /nfs/dbraw/zinc/22/25/71/948222571.db2.gz CQGGZDOFWDEBIB-YPMHNXCESA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573690297 948222563 /nfs/dbraw/zinc/22/25/63/948222563.db2.gz CQGGZDOFWDEBIB-YPMHNXCESA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573690520 948225203 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CYGVNZXDIBLPKX-MFKMUULPSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001573690523 948224882 /nfs/dbraw/zinc/22/48/82/948224882.db2.gz CYGVNZXDIBLPKX-ZWNOBZJWSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001573690523 948224874 /nfs/dbraw/zinc/22/48/74/948224874.db2.gz CYGVNZXDIBLPKX-ZWNOBZJWSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1)n1cncn1 ZINC001573690910 948232699 /nfs/dbraw/zinc/23/26/99/948232699.db2.gz GUZTXNNMHSIMCG-JTQLQIEISA-N -1 3 384.404 -0.184 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1)n1cncn1 ZINC001573690910 948232687 /nfs/dbraw/zinc/23/26/87/948232687.db2.gz GUZTXNNMHSIMCG-JTQLQIEISA-N -1 3 384.404 -0.184 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC1)n1cncn1 ZINC001573690911 948233302 /nfs/dbraw/zinc/23/33/02/948233302.db2.gz GUZTXNNMHSIMCG-SNVBAGLBSA-N -1 3 384.404 -0.184 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC1)n1cncn1 ZINC001573690911 948233293 /nfs/dbraw/zinc/23/32/93/948233293.db2.gz GUZTXNNMHSIMCG-SNVBAGLBSA-N -1 3 384.404 -0.184 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573691151 948237082 /nfs/dbraw/zinc/23/70/82/948237082.db2.gz HYJKUURSDPZDIO-APPZFPTMSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573691151 948237075 /nfs/dbraw/zinc/23/70/75/948237075.db2.gz HYJKUURSDPZDIO-APPZFPTMSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573691153 948237256 /nfs/dbraw/zinc/23/72/56/948237256.db2.gz HYJKUURSDPZDIO-CBAPKCEASA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573691153 948237245 /nfs/dbraw/zinc/23/72/45/948237245.db2.gz HYJKUURSDPZDIO-CBAPKCEASA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573691155 948236326 /nfs/dbraw/zinc/23/63/26/948236326.db2.gz HYJKUURSDPZDIO-IONNQARKSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573691155 948236318 /nfs/dbraw/zinc/23/63/18/948236318.db2.gz HYJKUURSDPZDIO-IONNQARKSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573691156 948236057 /nfs/dbraw/zinc/23/60/57/948236057.db2.gz HYJKUURSDPZDIO-VXNVDRBHSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573691156 948236052 /nfs/dbraw/zinc/23/60/52/948236052.db2.gz HYJKUURSDPZDIO-VXNVDRBHSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001573691465 948243310 /nfs/dbraw/zinc/24/33/10/948243310.db2.gz IVJKGMOEAGOIRB-BXKDBHETSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001573691465 948243301 /nfs/dbraw/zinc/24/33/01/948243301.db2.gz IVJKGMOEAGOIRB-BXKDBHETSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001573691466 948244431 /nfs/dbraw/zinc/24/44/31/948244431.db2.gz IVJKGMOEAGOIRB-CABZTGNLSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001573691466 948244420 /nfs/dbraw/zinc/24/44/20/948244420.db2.gz IVJKGMOEAGOIRB-CABZTGNLSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001573691467 948243260 /nfs/dbraw/zinc/24/32/60/948243260.db2.gz IVJKGMOEAGOIRB-JOYOIKCWSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001573691467 948243255 /nfs/dbraw/zinc/24/32/55/948243255.db2.gz IVJKGMOEAGOIRB-JOYOIKCWSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)c1cnn(C)c1 ZINC001573691468 948244665 /nfs/dbraw/zinc/24/46/65/948244665.db2.gz IVJKGMOEAGOIRB-SKDRFNHKSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)c1cnn(C)c1 ZINC001573691468 948244657 /nfs/dbraw/zinc/24/46/57/948244657.db2.gz IVJKGMOEAGOIRB-SKDRFNHKSA-N -1 3 389.395 -0.173 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573691800 948248865 /nfs/dbraw/zinc/24/88/65/948248865.db2.gz JVUQKYNLJNTOTL-HTQZYQBOSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573691800 948248853 /nfs/dbraw/zinc/24/88/53/948248853.db2.gz JVUQKYNLJNTOTL-HTQZYQBOSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573691801 948247641 /nfs/dbraw/zinc/24/76/41/948247641.db2.gz JVUQKYNLJNTOTL-JGVFFNPUSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573691801 948247634 /nfs/dbraw/zinc/24/76/34/948247634.db2.gz JVUQKYNLJNTOTL-JGVFFNPUSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573691803 948248831 /nfs/dbraw/zinc/24/88/31/948248831.db2.gz JVUQKYNLJNTOTL-SFYZADRCSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573691803 948248818 /nfs/dbraw/zinc/24/88/18/948248818.db2.gz JVUQKYNLJNTOTL-SFYZADRCSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573691805 948248194 /nfs/dbraw/zinc/24/81/94/948248194.db2.gz JVUQKYNLJNTOTL-YUMQZZPRSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573691805 948248183 /nfs/dbraw/zinc/24/81/83/948248183.db2.gz JVUQKYNLJNTOTL-YUMQZZPRSA-N -1 3 389.338 -0.058 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCOCC1 ZINC001573692259 948259479 /nfs/dbraw/zinc/25/94/79/948259479.db2.gz NIIWLPINISFLQO-CMPLNLGQSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCOCC1 ZINC001573692259 948259473 /nfs/dbraw/zinc/25/94/73/948259473.db2.gz NIIWLPINISFLQO-CMPLNLGQSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCOCC1 ZINC001573692261 948258300 /nfs/dbraw/zinc/25/83/00/948258300.db2.gz NIIWLPINISFLQO-JQWIXIFHSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCOCC1 ZINC001573692261 948258290 /nfs/dbraw/zinc/25/82/90/948258290.db2.gz NIIWLPINISFLQO-JQWIXIFHSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCOCC1 ZINC001573692262 948258193 /nfs/dbraw/zinc/25/81/93/948258193.db2.gz NIIWLPINISFLQO-PWSUYJOCSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCOCC1 ZINC001573692262 948258185 /nfs/dbraw/zinc/25/81/85/948258185.db2.gz NIIWLPINISFLQO-PWSUYJOCSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CCOCC1 ZINC001573692264 948258563 /nfs/dbraw/zinc/25/85/63/948258563.db2.gz NIIWLPINISFLQO-ZYHUDNBSSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CCOCC1 ZINC001573692264 948258556 /nfs/dbraw/zinc/25/85/56/948258556.db2.gz NIIWLPINISFLQO-ZYHUDNBSSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@H](C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1)S(C)(=O)=O ZINC001573692269 948258504 /nfs/dbraw/zinc/25/85/04/948258504.db2.gz NSJBYVJWMOFFEX-MRVPVSSYSA-N -1 3 383.409 -0.105 20 0 GBADHM C[C@H](C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1)S(C)(=O)=O ZINC001573692269 948258494 /nfs/dbraw/zinc/25/84/94/948258494.db2.gz NSJBYVJWMOFFEX-MRVPVSSYSA-N -1 3 383.409 -0.105 20 0 GBADHM C[C@@H](C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1)S(C)(=O)=O ZINC001573692271 948261631 /nfs/dbraw/zinc/26/16/31/948261631.db2.gz NSJBYVJWMOFFEX-QMMMGPOBSA-N -1 3 383.409 -0.105 20 0 GBADHM C[C@@H](C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1)S(C)(=O)=O ZINC001573692271 948261622 /nfs/dbraw/zinc/26/16/22/948261622.db2.gz NSJBYVJWMOFFEX-QMMMGPOBSA-N -1 3 383.409 -0.105 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573692289 948259856 /nfs/dbraw/zinc/25/98/56/948259856.db2.gz NUGSMOSKDBTGHY-BQBZGAKWSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573692289 948259845 /nfs/dbraw/zinc/25/98/45/948259845.db2.gz NUGSMOSKDBTGHY-BQBZGAKWSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573692291 948260770 /nfs/dbraw/zinc/26/07/70/948260770.db2.gz NUGSMOSKDBTGHY-NKWVEPMBSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573692291 948260760 /nfs/dbraw/zinc/26/07/60/948260760.db2.gz NUGSMOSKDBTGHY-NKWVEPMBSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573692293 948260338 /nfs/dbraw/zinc/26/03/38/948260338.db2.gz NUGSMOSKDBTGHY-RNFRBKRXSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573692293 948260329 /nfs/dbraw/zinc/26/03/29/948260329.db2.gz NUGSMOSKDBTGHY-RNFRBKRXSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573692295 948260526 /nfs/dbraw/zinc/26/05/26/948260526.db2.gz NUGSMOSKDBTGHY-RQJHMYQMSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573692295 948260519 /nfs/dbraw/zinc/26/05/19/948260519.db2.gz NUGSMOSKDBTGHY-RQJHMYQMSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573692427 948262671 /nfs/dbraw/zinc/26/26/71/948262671.db2.gz OQLMXGRNUMFRHP-HTRCEHHLSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573692427 948262665 /nfs/dbraw/zinc/26/26/65/948262665.db2.gz OQLMXGRNUMFRHP-HTRCEHHLSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573692429 948262725 /nfs/dbraw/zinc/26/27/25/948262725.db2.gz OQLMXGRNUMFRHP-POYBYMJQSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573692429 948262717 /nfs/dbraw/zinc/26/27/17/948262717.db2.gz OQLMXGRNUMFRHP-POYBYMJQSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573692430 948265668 /nfs/dbraw/zinc/26/56/68/948265668.db2.gz OQLMXGRNUMFRHP-SVRRBLITSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573692430 948265659 /nfs/dbraw/zinc/26/56/59/948265659.db2.gz OQLMXGRNUMFRHP-SVRRBLITSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573692432 948265726 /nfs/dbraw/zinc/26/57/26/948265726.db2.gz OQLMXGRNUMFRHP-XPUUQOCRSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573692432 948265716 /nfs/dbraw/zinc/26/57/16/948265716.db2.gz OQLMXGRNUMFRHP-XPUUQOCRSA-N -1 3 375.311 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573692547 948266790 /nfs/dbraw/zinc/26/67/90/948266790.db2.gz PRHQVRATXARYKG-PSASIEDQSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573692547 948266779 /nfs/dbraw/zinc/26/67/79/948266779.db2.gz PRHQVRATXARYKG-PSASIEDQSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573692549 948267544 /nfs/dbraw/zinc/26/75/44/948267544.db2.gz PRHQVRATXARYKG-SCZZXKLOSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573692549 948267535 /nfs/dbraw/zinc/26/75/35/948267535.db2.gz PRHQVRATXARYKG-SCZZXKLOSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573692551 948266759 /nfs/dbraw/zinc/26/67/59/948266759.db2.gz PRHQVRATXARYKG-WCBMZHEXSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573692551 948266749 /nfs/dbraw/zinc/26/67/49/948266749.db2.gz PRHQVRATXARYKG-WCBMZHEXSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1Cl)n1cncn1 ZINC001573692553 948268084 /nfs/dbraw/zinc/26/80/84/948268084.db2.gz PRHQVRATXARYKG-WPRPVWTQSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1Cl)n1cncn1 ZINC001573692553 948268073 /nfs/dbraw/zinc/26/80/73/948268073.db2.gz PRHQVRATXARYKG-WPRPVWTQSA-N -1 3 392.811 -0.343 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)n1cncn1 ZINC001573692682 948270845 /nfs/dbraw/zinc/27/08/45/948270845.db2.gz RSSWAAZONWQRMD-JTQLQIEISA-N -1 3 384.404 -0.184 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)n1cncn1 ZINC001573692682 948270837 /nfs/dbraw/zinc/27/08/37/948270837.db2.gz RSSWAAZONWQRMD-JTQLQIEISA-N -1 3 384.404 -0.184 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1)n1cncn1 ZINC001573692684 948272008 /nfs/dbraw/zinc/27/20/08/948272008.db2.gz RSSWAAZONWQRMD-SNVBAGLBSA-N -1 3 384.404 -0.184 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1)n1cncn1 ZINC001573692684 948271999 /nfs/dbraw/zinc/27/19/99/948271999.db2.gz RSSWAAZONWQRMD-SNVBAGLBSA-N -1 3 384.404 -0.184 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573692895 948273277 /nfs/dbraw/zinc/27/32/77/948273277.db2.gz QRJBQDHENCKLLC-GHMZBOCLSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573692895 948273271 /nfs/dbraw/zinc/27/32/71/948273271.db2.gz QRJBQDHENCKLLC-GHMZBOCLSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573692896 948273525 /nfs/dbraw/zinc/27/35/25/948273525.db2.gz QRJBQDHENCKLLC-MNOVXSKESA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573692896 948273520 /nfs/dbraw/zinc/27/35/20/948273520.db2.gz QRJBQDHENCKLLC-MNOVXSKESA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573692897 948273388 /nfs/dbraw/zinc/27/33/88/948273388.db2.gz QRJBQDHENCKLLC-QWRGUYRKSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573692897 948273379 /nfs/dbraw/zinc/27/33/79/948273379.db2.gz QRJBQDHENCKLLC-QWRGUYRKSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001573692899 948274449 /nfs/dbraw/zinc/27/44/49/948274449.db2.gz QRJBQDHENCKLLC-WDEREUQCSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001573692899 948274440 /nfs/dbraw/zinc/27/44/40/948274440.db2.gz QRJBQDHENCKLLC-WDEREUQCSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573692915 948273299 /nfs/dbraw/zinc/27/32/99/948273299.db2.gz QXVQFJMWWSNEJO-AAEUAGOBSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573692915 948273291 /nfs/dbraw/zinc/27/32/91/948273291.db2.gz QXVQFJMWWSNEJO-AAEUAGOBSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573692917 948274745 /nfs/dbraw/zinc/27/47/45/948274745.db2.gz QXVQFJMWWSNEJO-DGCLKSJQSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573692917 948274734 /nfs/dbraw/zinc/27/47/34/948274734.db2.gz QXVQFJMWWSNEJO-DGCLKSJQSA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573692918 948274496 /nfs/dbraw/zinc/27/44/96/948274496.db2.gz QXVQFJMWWSNEJO-WCQYABFASA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573692918 948274487 /nfs/dbraw/zinc/27/44/87/948274487.db2.gz QXVQFJMWWSNEJO-WCQYABFASA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573692920 948273590 /nfs/dbraw/zinc/27/35/90/948273590.db2.gz QXVQFJMWWSNEJO-YPMHNXCESA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573692920 948273584 /nfs/dbraw/zinc/27/35/84/948273584.db2.gz QXVQFJMWWSNEJO-YPMHNXCESA-N -1 3 386.416 -0.193 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573693012 948276995 /nfs/dbraw/zinc/27/69/95/948276995.db2.gz RKSGCLIHEAIKSW-GXSJLCMTSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573693012 948276981 /nfs/dbraw/zinc/27/69/81/948276981.db2.gz RKSGCLIHEAIKSW-GXSJLCMTSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573693015 948276031 /nfs/dbraw/zinc/27/60/31/948276031.db2.gz RKSGCLIHEAIKSW-KOLCDFICSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573693015 948276022 /nfs/dbraw/zinc/27/60/22/948276022.db2.gz RKSGCLIHEAIKSW-KOLCDFICSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573693018 948276287 /nfs/dbraw/zinc/27/62/87/948276287.db2.gz RKSGCLIHEAIKSW-MWLCHTKSSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573693018 948276280 /nfs/dbraw/zinc/27/62/80/948276280.db2.gz RKSGCLIHEAIKSW-MWLCHTKSSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nn[n-]n2)cc1F)n1cccn1 ZINC001573693020 948276001 /nfs/dbraw/zinc/27/60/01/948276001.db2.gz RKSGCLIHEAIKSW-ONGXEEELSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNc1ncc(-c2nnn[n-]2)cc1F)n1cccn1 ZINC001573693020 948275992 /nfs/dbraw/zinc/27/59/92/948275992.db2.gz RKSGCLIHEAIKSW-ONGXEEELSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573693023 948276914 /nfs/dbraw/zinc/27/69/14/948276914.db2.gz RLXLEDBXFLCCTJ-GXSJLCMTSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573693023 948276904 /nfs/dbraw/zinc/27/69/04/948276904.db2.gz RLXLEDBXFLCCTJ-GXSJLCMTSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573693025 948276955 /nfs/dbraw/zinc/27/69/55/948276955.db2.gz RLXLEDBXFLCCTJ-KOLCDFICSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573693025 948276941 /nfs/dbraw/zinc/27/69/41/948276941.db2.gz RLXLEDBXFLCCTJ-KOLCDFICSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573693027 948277032 /nfs/dbraw/zinc/27/70/32/948277032.db2.gz RLXLEDBXFLCCTJ-MWLCHTKSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@H]1CCC(=O)N1 ZINC001573693027 948277022 /nfs/dbraw/zinc/27/70/22/948277022.db2.gz RLXLEDBXFLCCTJ-MWLCHTKSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573693029 948275291 /nfs/dbraw/zinc/27/52/91/948275291.db2.gz RLXLEDBXFLCCTJ-ONGXEEELSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)[C@@H]1CCC(=O)N1 ZINC001573693029 948275282 /nfs/dbraw/zinc/27/52/82/948275282.db2.gz RLXLEDBXFLCCTJ-ONGXEEELSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)S(C)(=O)=O ZINC001573693189 948277834 /nfs/dbraw/zinc/27/78/34/948277834.db2.gz RQKZZEMGWQCOQI-MRVPVSSYSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)S(C)(=O)=O ZINC001573693189 948277823 /nfs/dbraw/zinc/27/78/23/948277823.db2.gz RQKZZEMGWQCOQI-MRVPVSSYSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)S(C)(=O)=O ZINC001573693190 948277557 /nfs/dbraw/zinc/27/75/57/948277557.db2.gz RQKZZEMGWQCOQI-QMMMGPOBSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)S(C)(=O)=O ZINC001573693190 948277549 /nfs/dbraw/zinc/27/75/49/948277549.db2.gz RQKZZEMGWQCOQI-QMMMGPOBSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573693293 948279677 /nfs/dbraw/zinc/27/96/77/948279677.db2.gz SIFFPJWRQWNXTF-BDAKNGLRSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001573693293 948279670 /nfs/dbraw/zinc/27/96/70/948279670.db2.gz SIFFPJWRQWNXTF-BDAKNGLRSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573693295 948279823 /nfs/dbraw/zinc/27/98/23/948279823.db2.gz SIFFPJWRQWNXTF-DTWKUNHWSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001573693295 948279817 /nfs/dbraw/zinc/27/98/17/948279817.db2.gz SIFFPJWRQWNXTF-DTWKUNHWSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573693297 948281067 /nfs/dbraw/zinc/28/10/67/948281067.db2.gz SIFFPJWRQWNXTF-IUCAKERBSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001573693297 948281060 /nfs/dbraw/zinc/28/10/60/948281060.db2.gz SIFFPJWRQWNXTF-IUCAKERBSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)S(C)(=O)=O ZINC001573693300 948281532 /nfs/dbraw/zinc/28/15/32/948281532.db2.gz SIFFPJWRQWNXTF-RKDXNWHRSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)S(C)(=O)=O ZINC001573693300 948281522 /nfs/dbraw/zinc/28/15/22/948281522.db2.gz SIFFPJWRQWNXTF-RKDXNWHRSA-N -1 3 386.409 -0.672 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccco1 ZINC001573693562 948283014 /nfs/dbraw/zinc/28/30/14/948283014.db2.gz ADGUDFDWHJKHNC-JTQLQIEISA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccco1 ZINC001573693562 948283008 /nfs/dbraw/zinc/28/30/08/948283008.db2.gz ADGUDFDWHJKHNC-JTQLQIEISA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1ccco1 ZINC001573693565 948283107 /nfs/dbraw/zinc/28/31/07/948283107.db2.gz ADGUDFDWHJKHNC-SNVBAGLBSA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1ccco1 ZINC001573693565 948283094 /nfs/dbraw/zinc/28/30/94/948283094.db2.gz ADGUDFDWHJKHNC-SNVBAGLBSA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573693658 948285094 /nfs/dbraw/zinc/28/50/94/948285094.db2.gz ANNCNHDPRJRVCG-GFCCVEGCSA-N -1 3 383.416 -0.618 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573693658 948285084 /nfs/dbraw/zinc/28/50/84/948285084.db2.gz ANNCNHDPRJRVCG-GFCCVEGCSA-N -1 3 383.416 -0.618 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573693659 948285451 /nfs/dbraw/zinc/28/54/51/948285451.db2.gz ANNCNHDPRJRVCG-LBPRGKRZSA-N -1 3 383.416 -0.618 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573693659 948285440 /nfs/dbraw/zinc/28/54/40/948285440.db2.gz ANNCNHDPRJRVCG-LBPRGKRZSA-N -1 3 383.416 -0.618 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573694437 948293008 /nfs/dbraw/zinc/29/30/08/948293008.db2.gz VNDDFJCJHALJJI-CMPLNLGQSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573694437 948292999 /nfs/dbraw/zinc/29/29/99/948292999.db2.gz VNDDFJCJHALJJI-CMPLNLGQSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573694438 948294185 /nfs/dbraw/zinc/29/41/85/948294185.db2.gz VNDDFJCJHALJJI-JQWIXIFHSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573694438 948294176 /nfs/dbraw/zinc/29/41/76/948294176.db2.gz VNDDFJCJHALJJI-JQWIXIFHSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573694439 948293850 /nfs/dbraw/zinc/29/38/50/948293850.db2.gz VNDDFJCJHALJJI-PWSUYJOCSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573694439 948293842 /nfs/dbraw/zinc/29/38/42/948293842.db2.gz VNDDFJCJHALJJI-PWSUYJOCSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573694440 948294752 /nfs/dbraw/zinc/29/47/52/948294752.db2.gz VNDDFJCJHALJJI-ZYHUDNBSSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573694440 948294745 /nfs/dbraw/zinc/29/47/45/948294745.db2.gz VNDDFJCJHALJJI-ZYHUDNBSSA-N -1 3 387.404 -0.798 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573694447 948294260 /nfs/dbraw/zinc/29/42/60/948294260.db2.gz VRRUNTFJAYNWNY-GWCFXTLKSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573694447 948294252 /nfs/dbraw/zinc/29/42/52/948294252.db2.gz VRRUNTFJAYNWNY-GWCFXTLKSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573694448 948293878 /nfs/dbraw/zinc/29/38/78/948293878.db2.gz VRRUNTFJAYNWNY-GXFFZTMASA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573694448 948293871 /nfs/dbraw/zinc/29/38/71/948293871.db2.gz VRRUNTFJAYNWNY-GXFFZTMASA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573694449 948293311 /nfs/dbraw/zinc/29/33/11/948293311.db2.gz VRRUNTFJAYNWNY-MFKMUULPSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573694449 948293303 /nfs/dbraw/zinc/29/33/03/948293303.db2.gz VRRUNTFJAYNWNY-MFKMUULPSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1cccnc1 ZINC001573694450 948295319 /nfs/dbraw/zinc/29/53/19/948295319.db2.gz VRRUNTFJAYNWNY-ZWNOBZJWSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1cccnc1 ZINC001573694450 948295312 /nfs/dbraw/zinc/29/53/12/948295312.db2.gz VRRUNTFJAYNWNY-ZWNOBZJWSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573694475 948295448 /nfs/dbraw/zinc/29/54/48/948295448.db2.gz VYHYPWSOBWUVHJ-GWCFXTLKSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573694475 948295440 /nfs/dbraw/zinc/29/54/40/948295440.db2.gz VYHYPWSOBWUVHJ-GWCFXTLKSA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573694476 948296734 /nfs/dbraw/zinc/29/67/34/948296734.db2.gz VYHYPWSOBWUVHJ-GXFFZTMASA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cccnc1 ZINC001573694476 948296725 /nfs/dbraw/zinc/29/67/25/948296725.db2.gz VYHYPWSOBWUVHJ-GXFFZTMASA-N -1 3 384.400 -0.400 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cccnc1 ZINC001573694477 948295788 /nfs/dbraw/zinc/29/57/88/948295788.db2.gz VYHYPWSOBWUVHJ-MFKMUULPSA-N -1 3 384.400 -0.400 20 0 GBADHM 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C[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(C)(F)F ZINC001573695699 948309069 /nfs/dbraw/zinc/30/90/69/948309069.db2.gz IKZURLXUDZKSFL-QMMMGPOBSA-N -1 3 383.359 -0.211 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(C)(F)F ZINC001573695699 948309060 /nfs/dbraw/zinc/30/90/60/948309060.db2.gz IKZURLXUDZKSFL-QMMMGPOBSA-N -1 3 383.359 -0.211 20 0 GBADHM C[C@H](C(=O)NCC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573695983 948313240 /nfs/dbraw/zinc/31/32/40/948313240.db2.gz JZBXCUIQPHDZIF-KPPDAEKUSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NCC1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573695983 948313226 /nfs/dbraw/zinc/31/32/26/948313226.db2.gz JZBXCUIQPHDZIF-KPPDAEKUSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NCC1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573695986 948314026 /nfs/dbraw/zinc/31/40/26/948314026.db2.gz JZBXCUIQPHDZIF-WHXUTIOJSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NCC1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573695986 948314022 /nfs/dbraw/zinc/31/40/22/948314022.db2.gz JZBXCUIQPHDZIF-WHXUTIOJSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573695995 948314010 /nfs/dbraw/zinc/31/40/10/948314010.db2.gz ZICBUVDZSIQMCU-NXEZZACHSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573695995 948314004 /nfs/dbraw/zinc/31/40/04/948314004.db2.gz ZICBUVDZSIQMCU-NXEZZACHSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573695998 948312966 /nfs/dbraw/zinc/31/29/66/948312966.db2.gz ZICBUVDZSIQMCU-UWVGGRQHSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573695998 948312963 /nfs/dbraw/zinc/31/29/63/948312963.db2.gz ZICBUVDZSIQMCU-UWVGGRQHSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573696001 948314475 /nfs/dbraw/zinc/31/44/75/948314475.db2.gz ZICBUVDZSIQMCU-VHSXEESVSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573696001 948314465 /nfs/dbraw/zinc/31/44/65/948314465.db2.gz ZICBUVDZSIQMCU-VHSXEESVSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nn[n-]n1)n1cncn1 ZINC001573696003 948313147 /nfs/dbraw/zinc/31/31/47/948313147.db2.gz ZICBUVDZSIQMCU-ZJUUUORDSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNc1cccc(F)c1-c1nnn[n-]1)n1cncn1 ZINC001573696003 948313138 /nfs/dbraw/zinc/31/31/38/948313138.db2.gz ZICBUVDZSIQMCU-ZJUUUORDSA-N -1 3 375.368 -0.253 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001573696044 948316025 /nfs/dbraw/zinc/31/60/25/948316025.db2.gz ZSGLRDZDVXZKII-GWCFXTLKSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001573696044 948316014 /nfs/dbraw/zinc/31/60/14/948316014.db2.gz ZSGLRDZDVXZKII-GWCFXTLKSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001573696045 948316350 /nfs/dbraw/zinc/31/63/50/948316350.db2.gz ZSGLRDZDVXZKII-GXFFZTMASA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001573696045 948316341 /nfs/dbraw/zinc/31/63/41/948316341.db2.gz ZSGLRDZDVXZKII-GXFFZTMASA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001573696046 948315153 /nfs/dbraw/zinc/31/51/53/948315153.db2.gz ZSGLRDZDVXZKII-MFKMUULPSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@@H](C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001573696046 948315144 /nfs/dbraw/zinc/31/51/44/948315144.db2.gz ZSGLRDZDVXZKII-MFKMUULPSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCOCC1 ZINC001573696047 948316412 /nfs/dbraw/zinc/31/64/12/948316412.db2.gz ZSGLRDZDVXZKII-ZWNOBZJWSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@@H](C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCOCC1 ZINC001573696047 948316403 /nfs/dbraw/zinc/31/64/03/948316403.db2.gz ZSGLRDZDVXZKII-ZWNOBZJWSA-N -1 3 391.432 -0.536 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1)n1cncn1 ZINC001573696056 948316798 /nfs/dbraw/zinc/31/67/98/948316798.db2.gz ZVCMEVCJMNUETP-JTQLQIEISA-N -1 3 384.404 -0.184 20 0 GBADHM C[C@@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1)n1cncn1 ZINC001573696056 948316791 /nfs/dbraw/zinc/31/67/91/948316791.db2.gz ZVCMEVCJMNUETP-JTQLQIEISA-N -1 3 384.404 -0.184 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC1)n1cncn1 ZINC001573696057 948315560 /nfs/dbraw/zinc/31/55/60/948315560.db2.gz ZVCMEVCJMNUETP-SNVBAGLBSA-N -1 3 384.404 -0.184 20 0 GBADHM C[C@H](C(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC1)n1cncn1 ZINC001573696057 948315551 /nfs/dbraw/zinc/31/55/51/948315551.db2.gz ZVCMEVCJMNUETP-SNVBAGLBSA-N -1 3 384.404 -0.184 20 0 GBADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573696120 948318234 /nfs/dbraw/zinc/31/82/34/948318234.db2.gz LKILHXPBHNTMBG-PXAZEXFGSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573696120 948318224 /nfs/dbraw/zinc/31/82/24/948318224.db2.gz LKILHXPBHNTMBG-PXAZEXFGSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573696121 948317692 /nfs/dbraw/zinc/31/76/92/948317692.db2.gz LKILHXPBHNTMBG-SJCJKPOMSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573696121 948317680 /nfs/dbraw/zinc/31/76/80/948317680.db2.gz LKILHXPBHNTMBG-SJCJKPOMSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573696122 948318284 /nfs/dbraw/zinc/31/82/84/948318284.db2.gz LKILHXPBHNTMBG-SJKOYZFVSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573696122 948318277 /nfs/dbraw/zinc/31/82/77/948318277.db2.gz LKILHXPBHNTMBG-SJKOYZFVSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cccn1 ZINC001573696123 948318157 /nfs/dbraw/zinc/31/81/57/948318157.db2.gz LKILHXPBHNTMBG-YVEFUNNKSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cccn1 ZINC001573696123 948318150 /nfs/dbraw/zinc/31/81/50/948318150.db2.gz LKILHXPBHNTMBG-YVEFUNNKSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573696152 948318965 /nfs/dbraw/zinc/31/89/65/948318965.db2.gz LOPDHJPXTFTEHY-BDJLRTHQSA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573696152 948318958 /nfs/dbraw/zinc/31/89/58/948318958.db2.gz LOPDHJPXTFTEHY-BDJLRTHQSA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573696153 948318857 /nfs/dbraw/zinc/31/88/57/948318857.db2.gz LOPDHJPXTFTEHY-BZNIZROVSA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573696153 948318849 /nfs/dbraw/zinc/31/88/49/948318849.db2.gz LOPDHJPXTFTEHY-BZNIZROVSA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573696154 948317838 /nfs/dbraw/zinc/31/78/38/948317838.db2.gz LOPDHJPXTFTEHY-MEDUHNTESA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573696154 948317829 /nfs/dbraw/zinc/31/78/29/948317829.db2.gz LOPDHJPXTFTEHY-MEDUHNTESA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573696155 948317494 /nfs/dbraw/zinc/31/74/94/948317494.db2.gz LOPDHJPXTFTEHY-ZBEGNZNMSA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573696155 948317486 /nfs/dbraw/zinc/31/74/86/948317486.db2.gz LOPDHJPXTFTEHY-ZBEGNZNMSA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573696194 948320288 /nfs/dbraw/zinc/32/02/88/948320288.db2.gz LYRINEJLPOWHAF-SSDOTTSWSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573696194 948320279 /nfs/dbraw/zinc/32/02/79/948320279.db2.gz LYRINEJLPOWHAF-SSDOTTSWSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)(F)F ZINC001573696195 948320163 /nfs/dbraw/zinc/32/01/63/948320163.db2.gz LYRINEJLPOWHAF-ZETCQYMHSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)(F)F ZINC001573696195 948320156 /nfs/dbraw/zinc/32/01/56/948320156.db2.gz LYRINEJLPOWHAF-ZETCQYMHSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573696270 948320953 /nfs/dbraw/zinc/32/09/53/948320953.db2.gz NALHAAHOIDJTCL-GFCCVEGCSA-N -1 3 383.416 -0.618 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573696270 948320948 /nfs/dbraw/zinc/32/09/48/948320948.db2.gz NALHAAHOIDJTCL-GFCCVEGCSA-N -1 3 383.416 -0.618 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cncn1 ZINC001573696271 948322500 /nfs/dbraw/zinc/32/25/00/948322500.db2.gz NALHAAHOIDJTCL-LBPRGKRZSA-N -1 3 383.416 -0.618 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cncn1 ZINC001573696271 948322490 /nfs/dbraw/zinc/32/24/90/948322490.db2.gz NALHAAHOIDJTCL-LBPRGKRZSA-N -1 3 383.416 -0.618 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cccn1 ZINC001573696282 948322388 /nfs/dbraw/zinc/32/23/88/948322388.db2.gz NGSLJDAWFUDARB-CYBMUJFWSA-N -1 3 382.428 -0.013 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cccn1 ZINC001573696282 948322376 /nfs/dbraw/zinc/32/23/76/948322376.db2.gz NGSLJDAWFUDARB-CYBMUJFWSA-N -1 3 382.428 -0.013 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)n1cccn1 ZINC001573696283 948322651 /nfs/dbraw/zinc/32/26/51/948322651.db2.gz NGSLJDAWFUDARB-ZDUSSCGKSA-N -1 3 382.428 -0.013 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2)C1)n1cccn1 ZINC001573696283 948322645 /nfs/dbraw/zinc/32/26/45/948322645.db2.gz NGSLJDAWFUDARB-ZDUSSCGKSA-N -1 3 382.428 -0.013 20 0 GBADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573696284 948321294 /nfs/dbraw/zinc/32/12/94/948321294.db2.gz NHSLHTMNAFYJBF-PXAZEXFGSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573696284 948321286 /nfs/dbraw/zinc/32/12/86/948321286.db2.gz NHSLHTMNAFYJBF-PXAZEXFGSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573696285 948323024 /nfs/dbraw/zinc/32/30/24/948323024.db2.gz NHSLHTMNAFYJBF-SJCJKPOMSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573696285 948323012 /nfs/dbraw/zinc/32/30/12/948323012.db2.gz NHSLHTMNAFYJBF-SJCJKPOMSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573696286 948321242 /nfs/dbraw/zinc/32/12/42/948321242.db2.gz NHSLHTMNAFYJBF-SJKOYZFVSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573696286 948321236 /nfs/dbraw/zinc/32/12/36/948321236.db2.gz NHSLHTMNAFYJBF-SJKOYZFVSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573696287 948322080 /nfs/dbraw/zinc/32/20/80/948322080.db2.gz NHSLHTMNAFYJBF-YVEFUNNKSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ncccc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573696287 948322067 /nfs/dbraw/zinc/32/20/67/948322067.db2.gz NHSLHTMNAFYJBF-YVEFUNNKSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573696413 948323831 /nfs/dbraw/zinc/32/38/31/948323831.db2.gz PXJKTGKYWJSCQX-LLVKDONJSA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573696413 948323818 /nfs/dbraw/zinc/32/38/18/948323818.db2.gz PXJKTGKYWJSCQX-LLVKDONJSA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cccc1 ZINC001573696414 948323535 /nfs/dbraw/zinc/32/35/35/948323535.db2.gz PXJKTGKYWJSCQX-NSHDSACASA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cccc1 ZINC001573696414 948323532 /nfs/dbraw/zinc/32/35/32/948323532.db2.gz PXJKTGKYWJSCQX-NSHDSACASA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573696440 948325813 /nfs/dbraw/zinc/32/58/13/948325813.db2.gz QDKVGZYTUMXFCR-GWCFXTLKSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573696440 948325804 /nfs/dbraw/zinc/32/58/04/948325804.db2.gz QDKVGZYTUMXFCR-GWCFXTLKSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001573696441 948325759 /nfs/dbraw/zinc/32/57/59/948325759.db2.gz QDKVGZYTUMXFCR-GXFFZTMASA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001573696441 948325747 /nfs/dbraw/zinc/32/57/47/948325747.db2.gz QDKVGZYTUMXFCR-GXFFZTMASA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573696442 948327027 /nfs/dbraw/zinc/32/70/27/948327027.db2.gz QDKVGZYTUMXFCR-MFKMUULPSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCCO1 ZINC001573696442 948327021 /nfs/dbraw/zinc/32/70/21/948327021.db2.gz QDKVGZYTUMXFCR-MFKMUULPSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCCO1 ZINC001573696443 948326906 /nfs/dbraw/zinc/32/69/06/948326906.db2.gz QDKVGZYTUMXFCR-ZWNOBZJWSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCCO1 ZINC001573696443 948326897 /nfs/dbraw/zinc/32/68/97/948326897.db2.gz QDKVGZYTUMXFCR-ZWNOBZJWSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573696522 948329090 /nfs/dbraw/zinc/32/90/90/948329090.db2.gz RSAUHZUECRGHJY-BDJLRTHQSA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573696522 948329081 /nfs/dbraw/zinc/32/90/81/948329081.db2.gz RSAUHZUECRGHJY-BDJLRTHQSA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573696523 948328892 /nfs/dbraw/zinc/32/88/92/948328892.db2.gz RSAUHZUECRGHJY-BZNIZROVSA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573696523 948328880 /nfs/dbraw/zinc/32/88/80/948328880.db2.gz RSAUHZUECRGHJY-BZNIZROVSA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573696524 948329187 /nfs/dbraw/zinc/32/91/87/948329187.db2.gz RSAUHZUECRGHJY-MEDUHNTESA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573696524 948329180 /nfs/dbraw/zinc/32/91/80/948329180.db2.gz RSAUHZUECRGHJY-MEDUHNTESA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)cn2)C1)n1cncn1 ZINC001573696525 948328564 /nfs/dbraw/zinc/32/85/64/948328564.db2.gz RSAUHZUECRGHJY-ZBEGNZNMSA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)cn2)C1)n1cncn1 ZINC001573696525 948328554 /nfs/dbraw/zinc/32/85/54/948328554.db2.gz RSAUHZUECRGHJY-ZBEGNZNMSA-N -1 3 384.404 -0.828 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573696586 948329394 /nfs/dbraw/zinc/32/93/94/948329394.db2.gz SPANLDQRMXGEQU-LLVKDONJSA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573696586 948329384 /nfs/dbraw/zinc/32/93/84/948329384.db2.gz SPANLDQRMXGEQU-LLVKDONJSA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cccc1 ZINC001573696587 948329167 /nfs/dbraw/zinc/32/91/67/948329167.db2.gz SPANLDQRMXGEQU-NSHDSACASA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cccc1 ZINC001573696587 948329159 /nfs/dbraw/zinc/32/91/59/948329159.db2.gz SPANLDQRMXGEQU-NSHDSACASA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573696618 948331423 /nfs/dbraw/zinc/33/14/23/948331423.db2.gz SZXWUXGYFISVLG-CYBMUJFWSA-N -1 3 382.428 -0.013 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573696618 948331416 /nfs/dbraw/zinc/33/14/16/948331416.db2.gz SZXWUXGYFISVLG-CYBMUJFWSA-N -1 3 382.428 -0.013 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nn[n-]n2)C1)n1cccn1 ZINC001573696619 948331400 /nfs/dbraw/zinc/33/14/00/948331400.db2.gz SZXWUXGYFISVLG-ZDUSSCGKSA-N -1 3 382.428 -0.013 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1)n1cccn1 ZINC001573696619 948331394 /nfs/dbraw/zinc/33/13/94/948331394.db2.gz SZXWUXGYFISVLG-ZDUSSCGKSA-N -1 3 382.428 -0.013 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573696620 948329729 /nfs/dbraw/zinc/32/97/29/948329729.db2.gz TTYMMWSCZPKZEH-CYBMUJFWSA-N -1 3 382.428 -0.013 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573696620 948329718 /nfs/dbraw/zinc/32/97/18/948329718.db2.gz TTYMMWSCZPKZEH-CYBMUJFWSA-N -1 3 382.428 -0.013 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nn[n-]n3)c2)C1)n1cccn1 ZINC001573696621 948331265 /nfs/dbraw/zinc/33/12/65/948331265.db2.gz TTYMMWSCZPKZEH-ZDUSSCGKSA-N -1 3 382.428 -0.013 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(Cc2cccc(-c3nnn[n-]3)c2)C1)n1cccn1 ZINC001573696621 948331258 /nfs/dbraw/zinc/33/12/58/948331258.db2.gz TTYMMWSCZPKZEH-ZDUSSCGKSA-N -1 3 382.428 -0.013 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)n1cncn1 ZINC001573696625 948331226 /nfs/dbraw/zinc/33/12/26/948331226.db2.gz UAEUCRUTHNHQSI-DOERSZECSA-N -1 3 380.416 -0.087 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)n1cncn1 ZINC001573696625 948331217 /nfs/dbraw/zinc/33/12/17/948331217.db2.gz UAEUCRUTHNHQSI-DOERSZECSA-N -1 3 380.416 -0.087 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)n1cncn1 ZINC001573696628 948331201 /nfs/dbraw/zinc/33/12/01/948331201.db2.gz UAEUCRUTHNHQSI-ZRJCITRHSA-N -1 3 380.416 -0.087 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)n1cncn1 ZINC001573696628 948331192 /nfs/dbraw/zinc/33/11/92/948331192.db2.gz UAEUCRUTHNHQSI-ZRJCITRHSA-N -1 3 380.416 -0.087 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573696648 948331358 /nfs/dbraw/zinc/33/13/58/948331358.db2.gz UISWKTIDGJZANY-GFCCVEGCSA-N -1 3 383.416 -0.618 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573696648 948331348 /nfs/dbraw/zinc/33/13/48/948331348.db2.gz UISWKTIDGJZANY-GFCCVEGCSA-N -1 3 383.416 -0.618 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nn[n-]n2)C1)n1cncn1 ZINC001573696649 948329895 /nfs/dbraw/zinc/32/98/95/948329895.db2.gz UISWKTIDGJZANY-LBPRGKRZSA-N -1 3 383.416 -0.618 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(Cc2ccccc2-c2nnn[n-]2)C1)n1cncn1 ZINC001573696649 948329885 /nfs/dbraw/zinc/32/98/85/948329885.db2.gz UISWKTIDGJZANY-LBPRGKRZSA-N -1 3 383.416 -0.618 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)S(C)(=O)=O ZINC001573696711 948332076 /nfs/dbraw/zinc/33/20/76/948332076.db2.gz WIMPYLSJSTXYOU-JHEVNIALSA-N -1 3 391.457 -0.507 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)S(C)(=O)=O ZINC001573696711 948332064 /nfs/dbraw/zinc/33/20/64/948332064.db2.gz WIMPYLSJSTXYOU-JHEVNIALSA-N -1 3 391.457 -0.507 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)S(C)(=O)=O ZINC001573696713 948332340 /nfs/dbraw/zinc/33/23/40/948332340.db2.gz WIMPYLSJSTXYOU-XYJRDEOASA-N -1 3 391.457 -0.507 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)S(C)(=O)=O ZINC001573696713 948332336 /nfs/dbraw/zinc/33/23/36/948332336.db2.gz WIMPYLSJSTXYOU-XYJRDEOASA-N -1 3 391.457 -0.507 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573696758 948334104 /nfs/dbraw/zinc/33/41/04/948334104.db2.gz WUXBPDQHNWPFKV-SSDOTTSWSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573696758 948334094 /nfs/dbraw/zinc/33/40/94/948334094.db2.gz WUXBPDQHNWPFKV-SSDOTTSWSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)(F)F ZINC001573696759 948334580 /nfs/dbraw/zinc/33/45/80/948334580.db2.gz WUXBPDQHNWPFKV-ZETCQYMHSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)(F)F ZINC001573696759 948334574 /nfs/dbraw/zinc/33/45/74/948334574.db2.gz WUXBPDQHNWPFKV-ZETCQYMHSA-N -1 3 387.322 -0.304 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccco1 ZINC001573696786 948333639 /nfs/dbraw/zinc/33/36/39/948333639.db2.gz XCOFHFGAWJJGJO-JTQLQIEISA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccco1 ZINC001573696786 948333630 /nfs/dbraw/zinc/33/36/30/948333630.db2.gz XCOFHFGAWJJGJO-JTQLQIEISA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1ccco1 ZINC001573696787 948334605 /nfs/dbraw/zinc/33/46/05/948334605.db2.gz XCOFHFGAWJJGJO-SNVBAGLBSA-N -1 3 385.384 -0.105 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1ccco1 ZINC001573696787 948334598 /nfs/dbraw/zinc/33/45/98/948334598.db2.gz XCOFHFGAWJJGJO-SNVBAGLBSA-N -1 3 385.384 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C[C@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573696807 948333852 /nfs/dbraw/zinc/33/38/52/948333852.db2.gz XGPHNKKWGWFKHG-LLVKDONJSA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cccc1 ZINC001573696808 948335213 /nfs/dbraw/zinc/33/52/13/948335213.db2.gz XGPHNKKWGWFKHG-NSHDSACASA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@@H](C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cccc1 ZINC001573696808 948335201 /nfs/dbraw/zinc/33/52/01/948335201.db2.gz XGPHNKKWGWFKHG-NSHDSACASA-N -1 3 384.400 -0.439 20 0 GBADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nn[n-]n3)nc2)C1)n1cccn1 ZINC001573696819 948334494 /nfs/dbraw/zinc/33/44/94/948334494.db2.gz XLGBITMQQXCTMC-PXAZEXFGSA-N -1 3 383.416 -0.223 20 0 GBADHM C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)nc2)C1)n1cccn1 ZINC001573696819 948334487 /nfs/dbraw/zinc/33/44/87/948334487.db2.gz XLGBITMQQXCTMC-PXAZEXFGSA-N -1 3 383.416 -0.223 20 0 GBADHM 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AWJXPWZOLUMXAT-BXUZGUMPSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573704360 948372291 /nfs/dbraw/zinc/37/22/91/948372291.db2.gz AWJXPWZOLUMXAT-FZMZJTMJSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573704361 948371912 /nfs/dbraw/zinc/37/19/12/948371912.db2.gz AWJXPWZOLUMXAT-RISCZKNCSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN1Cc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573704362 948372350 /nfs/dbraw/zinc/37/23/50/948372350.db2.gz AWJXPWZOLUMXAT-SMDDNHRTSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573704693 948381095 /nfs/dbraw/zinc/38/10/95/948381095.db2.gz CMKFQJGOKAWHNN-GWCFXTLKSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573704693 948381085 /nfs/dbraw/zinc/38/10/85/948381085.db2.gz CMKFQJGOKAWHNN-GWCFXTLKSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573704694 948379962 /nfs/dbraw/zinc/37/99/62/948379962.db2.gz CMKFQJGOKAWHNN-GXFFZTMASA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573704694 948379953 /nfs/dbraw/zinc/37/99/53/948379953.db2.gz CMKFQJGOKAWHNN-GXFFZTMASA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573704695 948381195 /nfs/dbraw/zinc/38/11/95/948381195.db2.gz CMKFQJGOKAWHNN-MFKMUULPSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573704695 948381187 /nfs/dbraw/zinc/38/11/87/948381187.db2.gz CMKFQJGOKAWHNN-MFKMUULPSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCCO1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573704696 948379890 /nfs/dbraw/zinc/37/98/90/948379890.db2.gz CMKFQJGOKAWHNN-ZWNOBZJWSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCCO1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573704696 948379879 /nfs/dbraw/zinc/37/98/79/948379879.db2.gz CMKFQJGOKAWHNN-ZWNOBZJWSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573704815 948382760 /nfs/dbraw/zinc/38/27/60/948382760.db2.gz FEOJELSDZRMKQE-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573704815 948382754 /nfs/dbraw/zinc/38/27/54/948382754.db2.gz FEOJELSDZRMKQE-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)c1cnn(C)c1 ZINC001573704817 948383080 /nfs/dbraw/zinc/38/30/80/948383080.db2.gz FEOJELSDZRMKQE-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)c1cnn(C)c1 ZINC001573704817 948383069 /nfs/dbraw/zinc/38/30/69/948383069.db2.gz FEOJELSDZRMKQE-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573704892 948384354 /nfs/dbraw/zinc/38/43/54/948384354.db2.gz URNVCZUGACAVNO-GHMZBOCLSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573704892 948384344 /nfs/dbraw/zinc/38/43/44/948384344.db2.gz URNVCZUGACAVNO-GHMZBOCLSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573704893 948384850 /nfs/dbraw/zinc/38/48/50/948384850.db2.gz URNVCZUGACAVNO-MNOVXSKESA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573704893 948384846 /nfs/dbraw/zinc/38/48/46/948384846.db2.gz URNVCZUGACAVNO-MNOVXSKESA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573704894 948384443 /nfs/dbraw/zinc/38/44/43/948384443.db2.gz URNVCZUGACAVNO-QWRGUYRKSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573704894 948384433 /nfs/dbraw/zinc/38/44/33/948384433.db2.gz URNVCZUGACAVNO-QWRGUYRKSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cncn1 ZINC001573704896 948386003 /nfs/dbraw/zinc/38/60/03/948386003.db2.gz URNVCZUGACAVNO-WDEREUQCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cncn1 ZINC001573704896 948385995 /nfs/dbraw/zinc/38/59/95/948385995.db2.gz URNVCZUGACAVNO-WDEREUQCSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573704933 948387617 /nfs/dbraw/zinc/38/76/17/948387617.db2.gz FJLCQUISVDRDTA-GXSJLCMTSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573704933 948387611 /nfs/dbraw/zinc/38/76/11/948387611.db2.gz FJLCQUISVDRDTA-GXSJLCMTSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573704942 948387871 /nfs/dbraw/zinc/38/78/71/948387871.db2.gz FJLCQUISVDRDTA-KOLCDFICSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573704942 948387865 /nfs/dbraw/zinc/38/78/65/948387865.db2.gz FJLCQUISVDRDTA-KOLCDFICSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573704950 948387839 /nfs/dbraw/zinc/38/78/39/948387839.db2.gz FJLCQUISVDRDTA-MWLCHTKSSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573704950 948387829 /nfs/dbraw/zinc/38/78/29/948387829.db2.gz FJLCQUISVDRDTA-MWLCHTKSSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573704957 948386630 /nfs/dbraw/zinc/38/66/30/948386630.db2.gz FJLCQUISVDRDTA-ONGXEEELSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573704957 948386625 /nfs/dbraw/zinc/38/66/25/948386625.db2.gz FJLCQUISVDRDTA-ONGXEEELSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573705131 948391604 /nfs/dbraw/zinc/39/16/04/948391604.db2.gz FUNOLJKILJQYMJ-BXKDBHETSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573705131 948391599 /nfs/dbraw/zinc/39/15/99/948391599.db2.gz FUNOLJKILJQYMJ-BXKDBHETSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573705132 948390776 /nfs/dbraw/zinc/39/07/76/948390776.db2.gz FUNOLJKILJQYMJ-CABZTGNLSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573705132 948390766 /nfs/dbraw/zinc/39/07/66/948390766.db2.gz FUNOLJKILJQYMJ-CABZTGNLSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573705133 948391073 /nfs/dbraw/zinc/39/10/73/948391073.db2.gz FUNOLJKILJQYMJ-JOYOIKCWSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573705133 948391067 /nfs/dbraw/zinc/39/10/67/948391067.db2.gz FUNOLJKILJQYMJ-JOYOIKCWSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573705134 948392232 /nfs/dbraw/zinc/39/22/32/948392232.db2.gz FUNOLJKILJQYMJ-SKDRFNHKSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573705134 948392223 /nfs/dbraw/zinc/39/22/23/948392223.db2.gz FUNOLJKILJQYMJ-SKDRFNHKSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573705926 948409464 /nfs/dbraw/zinc/40/94/64/948409464.db2.gz HMICZSKWJFQXNJ-AAEUAGOBSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573705926 948409456 /nfs/dbraw/zinc/40/94/56/948409456.db2.gz HMICZSKWJFQXNJ-AAEUAGOBSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573705927 948410282 /nfs/dbraw/zinc/41/02/82/948410282.db2.gz HMICZSKWJFQXNJ-DGCLKSJQSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573705927 948410281 /nfs/dbraw/zinc/41/02/81/948410281.db2.gz HMICZSKWJFQXNJ-DGCLKSJQSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573705928 948410060 /nfs/dbraw/zinc/41/00/60/948410060.db2.gz HMICZSKWJFQXNJ-WCQYABFASA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573705928 948410056 /nfs/dbraw/zinc/41/00/56/948410056.db2.gz HMICZSKWJFQXNJ-WCQYABFASA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)n1cncn1 ZINC001573705929 948410031 /nfs/dbraw/zinc/41/00/31/948410031.db2.gz HMICZSKWJFQXNJ-YPMHNXCESA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)n1cncn1 ZINC001573705929 948410028 /nfs/dbraw/zinc/41/00/28/948410028.db2.gz HMICZSKWJFQXNJ-YPMHNXCESA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573706060 948410887 /nfs/dbraw/zinc/41/08/87/948410887.db2.gz JLYHXYPIUHIKQP-GHMZBOCLSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573706060 948410882 /nfs/dbraw/zinc/41/08/82/948410882.db2.gz JLYHXYPIUHIKQP-GHMZBOCLSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573706062 948411526 /nfs/dbraw/zinc/41/15/26/948411526.db2.gz JLYHXYPIUHIKQP-MNOVXSKESA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573706062 948411522 /nfs/dbraw/zinc/41/15/22/948411522.db2.gz JLYHXYPIUHIKQP-MNOVXSKESA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573706064 948412182 /nfs/dbraw/zinc/41/21/82/948412182.db2.gz JLYHXYPIUHIKQP-QWRGUYRKSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573706064 948412174 /nfs/dbraw/zinc/41/21/74/948412174.db2.gz JLYHXYPIUHIKQP-QWRGUYRKSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573706066 948411747 /nfs/dbraw/zinc/41/17/47/948411747.db2.gz JLYHXYPIUHIKQP-WDEREUQCSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573706066 948411741 /nfs/dbraw/zinc/41/17/41/948411741.db2.gz JLYHXYPIUHIKQP-WDEREUQCSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573706181 948413309 /nfs/dbraw/zinc/41/33/09/948413309.db2.gz KFKLLKGNGNPPSY-GHMZBOCLSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573706181 948413306 /nfs/dbraw/zinc/41/33/06/948413306.db2.gz KFKLLKGNGNPPSY-GHMZBOCLSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573706183 948413079 /nfs/dbraw/zinc/41/30/79/948413079.db2.gz KFKLLKGNGNPPSY-MNOVXSKESA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573706183 948413070 /nfs/dbraw/zinc/41/30/70/948413070.db2.gz KFKLLKGNGNPPSY-MNOVXSKESA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573706185 948413532 /nfs/dbraw/zinc/41/35/32/948413532.db2.gz KFKLLKGNGNPPSY-QWRGUYRKSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573706185 948413524 /nfs/dbraw/zinc/41/35/24/948413524.db2.gz KFKLLKGNGNPPSY-QWRGUYRKSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573706187 948413593 /nfs/dbraw/zinc/41/35/93/948413593.db2.gz KFKLLKGNGNPPSY-WDEREUQCSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573706187 948413588 /nfs/dbraw/zinc/41/35/88/948413588.db2.gz KFKLLKGNGNPPSY-WDEREUQCSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)NCC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573706278 948414875 /nfs/dbraw/zinc/41/48/75/948414875.db2.gz IBEDVUCNXXCEJU-LLVKDONJSA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@@H](C(=O)NCC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573706279 948415879 /nfs/dbraw/zinc/41/58/79/948415879.db2.gz IBEDVUCNXXCEJU-NSHDSACASA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573706445 948419487 /nfs/dbraw/zinc/41/94/87/948419487.db2.gz KUMUPMVTHBOJRG-GWCFXTLKSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573706445 948419482 /nfs/dbraw/zinc/41/94/82/948419482.db2.gz KUMUPMVTHBOJRG-GWCFXTLKSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573706446 948419162 /nfs/dbraw/zinc/41/91/62/948419162.db2.gz KUMUPMVTHBOJRG-GXFFZTMASA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573706446 948419158 /nfs/dbraw/zinc/41/91/58/948419158.db2.gz KUMUPMVTHBOJRG-GXFFZTMASA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573706447 948418402 /nfs/dbraw/zinc/41/84/02/948418402.db2.gz KUMUPMVTHBOJRG-MFKMUULPSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573706447 948418398 /nfs/dbraw/zinc/41/83/98/948418398.db2.gz KUMUPMVTHBOJRG-MFKMUULPSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCCO1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573706448 948419117 /nfs/dbraw/zinc/41/91/17/948419117.db2.gz KUMUPMVTHBOJRG-ZWNOBZJWSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCCO1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573706448 948419113 /nfs/dbraw/zinc/41/91/13/948419113.db2.gz KUMUPMVTHBOJRG-ZWNOBZJWSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573706529 948420947 /nfs/dbraw/zinc/42/09/47/948420947.db2.gz LMMDXIUPKHKETD-AAEUAGOBSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573706529 948420945 /nfs/dbraw/zinc/42/09/45/948420945.db2.gz LMMDXIUPKHKETD-AAEUAGOBSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCCO1)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573706530 948420393 /nfs/dbraw/zinc/42/03/93/948420393.db2.gz LMMDXIUPKHKETD-DGCLKSJQSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCCO1)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573706530 948420388 /nfs/dbraw/zinc/42/03/88/948420388.db2.gz LMMDXIUPKHKETD-DGCLKSJQSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573706531 948420537 /nfs/dbraw/zinc/42/05/37/948420537.db2.gz LMMDXIUPKHKETD-WCQYABFASA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573706531 948420533 /nfs/dbraw/zinc/42/05/33/948420533.db2.gz LMMDXIUPKHKETD-WCQYABFASA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573706533 948421442 /nfs/dbraw/zinc/42/14/42/948421442.db2.gz LMMDXIUPKHKETD-YPMHNXCESA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573706533 948421437 /nfs/dbraw/zinc/42/14/37/948421437.db2.gz LMMDXIUPKHKETD-YPMHNXCESA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573706913 948426617 /nfs/dbraw/zinc/42/66/17/948426617.db2.gz MNLGBAXTSPGNAZ-GHMZBOCLSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573706913 948426609 /nfs/dbraw/zinc/42/66/09/948426609.db2.gz MNLGBAXTSPGNAZ-GHMZBOCLSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573706917 948427157 /nfs/dbraw/zinc/42/71/57/948427157.db2.gz MNLGBAXTSPGNAZ-MNOVXSKESA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573706917 948427155 /nfs/dbraw/zinc/42/71/55/948427155.db2.gz MNLGBAXTSPGNAZ-MNOVXSKESA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573706921 948426704 /nfs/dbraw/zinc/42/67/04/948426704.db2.gz MNLGBAXTSPGNAZ-QWRGUYRKSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573706921 948426695 /nfs/dbraw/zinc/42/66/95/948426695.db2.gz MNLGBAXTSPGNAZ-QWRGUYRKSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573706925 948426957 /nfs/dbraw/zinc/42/69/57/948426957.db2.gz MNLGBAXTSPGNAZ-WDEREUQCSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573706925 948426952 /nfs/dbraw/zinc/42/69/52/948426952.db2.gz MNLGBAXTSPGNAZ-WDEREUQCSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573706991 948428311 /nfs/dbraw/zinc/42/83/11/948428311.db2.gz MRMAHRQOXCHJAQ-CMPLNLGQSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCCO1)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573706991 948428304 /nfs/dbraw/zinc/42/83/04/948428304.db2.gz MRMAHRQOXCHJAQ-CMPLNLGQSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573706993 948428616 /nfs/dbraw/zinc/42/86/16/948428616.db2.gz MRMAHRQOXCHJAQ-JQWIXIFHSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573706993 948428612 /nfs/dbraw/zinc/42/86/12/948428612.db2.gz MRMAHRQOXCHJAQ-JQWIXIFHSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573706995 948427990 /nfs/dbraw/zinc/42/79/90/948427990.db2.gz MRMAHRQOXCHJAQ-PWSUYJOCSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573706995 948427984 /nfs/dbraw/zinc/42/79/84/948427984.db2.gz MRMAHRQOXCHJAQ-PWSUYJOCSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCCO1)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573706997 948428322 /nfs/dbraw/zinc/42/83/22/948428322.db2.gz MRMAHRQOXCHJAQ-ZYHUDNBSSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCCO1)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573706997 948428320 /nfs/dbraw/zinc/42/83/20/948428320.db2.gz MRMAHRQOXCHJAQ-ZYHUDNBSSA-N -1 3 388.432 -0.708 20 0 GBADHM C[C@H](C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573707182 948429389 /nfs/dbraw/zinc/42/93/89/948429389.db2.gz MVPYOHPPAGGABU-SECBINFHSA-N -1 3 384.487 -0.091 20 0 GBADHM C[C@@H](C(=O)NCC1CN(Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573707186 948429559 /nfs/dbraw/zinc/42/95/59/948429559.db2.gz MVPYOHPPAGGABU-VIFPVBQESA-N -1 3 384.487 -0.091 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573707211 948430127 /nfs/dbraw/zinc/43/01/27/948430127.db2.gz OBNNSSXQSCKNTB-GHMZBOCLSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573707211 948430112 /nfs/dbraw/zinc/43/01/12/948430112.db2.gz OBNNSSXQSCKNTB-GHMZBOCLSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573707213 948430627 /nfs/dbraw/zinc/43/06/27/948430627.db2.gz OBNNSSXQSCKNTB-MNOVXSKESA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573707213 948430624 /nfs/dbraw/zinc/43/06/24/948430624.db2.gz OBNNSSXQSCKNTB-MNOVXSKESA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573707215 948430509 /nfs/dbraw/zinc/43/05/09/948430509.db2.gz OBNNSSXQSCKNTB-QWRGUYRKSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573707215 948430505 /nfs/dbraw/zinc/43/05/05/948430505.db2.gz OBNNSSXQSCKNTB-QWRGUYRKSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573707217 948429785 /nfs/dbraw/zinc/42/97/85/948429785.db2.gz OBNNSSXQSCKNTB-WDEREUQCSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573707217 948429778 /nfs/dbraw/zinc/42/97/78/948429778.db2.gz OBNNSSXQSCKNTB-WDEREUQCSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573707601 948437840 /nfs/dbraw/zinc/43/78/40/948437840.db2.gz OXIUBDQUIUMULD-NEPJUHHUSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573707601 948437835 /nfs/dbraw/zinc/43/78/35/948437835.db2.gz OXIUBDQUIUMULD-NEPJUHHUSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573707602 948437320 /nfs/dbraw/zinc/43/73/20/948437320.db2.gz OXIUBDQUIUMULD-NWDGAFQWSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573707602 948437313 /nfs/dbraw/zinc/43/73/13/948437313.db2.gz OXIUBDQUIUMULD-NWDGAFQWSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573707603 948438112 /nfs/dbraw/zinc/43/81/12/948438112.db2.gz OXIUBDQUIUMULD-RYUDHWBXSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1COCCN1c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573707603 948438107 /nfs/dbraw/zinc/43/81/07/948438107.db2.gz OXIUBDQUIUMULD-RYUDHWBXSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nn[n-]n1)n1cncn1 ZINC001573707604 948437503 /nfs/dbraw/zinc/43/75/03/948437503.db2.gz OXIUBDQUIUMULD-VXGBXAGGSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1COCCN1c1ncccc1-c1nnn[n-]1)n1cncn1 ZINC001573707604 948437496 /nfs/dbraw/zinc/43/74/96/948437496.db2.gz OXIUBDQUIUMULD-VXGBXAGGSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCCO1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573707750 948436804 /nfs/dbraw/zinc/43/68/04/948436804.db2.gz QIMYDKPEVKYSRW-AAEUAGOBSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCCO1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573707753 948438069 /nfs/dbraw/zinc/43/80/69/948438069.db2.gz QIMYDKPEVKYSRW-DGCLKSJQSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCCO1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573707756 948436932 /nfs/dbraw/zinc/43/69/32/948436932.db2.gz QIMYDKPEVKYSRW-WCQYABFASA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCCO1)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573707757 948438202 /nfs/dbraw/zinc/43/82/02/948438202.db2.gz QIMYDKPEVKYSRW-YPMHNXCESA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](C(=O)NC/C=C/CNc1ncc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC001573707992 948440911 /nfs/dbraw/zinc/44/09/11/948440911.db2.gz QPFHMILYQYZPRJ-CDAZIORVSA-N -1 3 383.409 -0.082 20 0 GBADHM C[C@H](C(=O)NC/C=C/CNc1ncc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC001573707992 948440905 /nfs/dbraw/zinc/44/09/05/948440905.db2.gz QPFHMILYQYZPRJ-CDAZIORVSA-N -1 3 383.409 -0.082 20 0 GBADHM C[C@@H](C(=O)NC/C=C/CNc1ncc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC001573707993 948441144 /nfs/dbraw/zinc/44/11/44/948441144.db2.gz QPFHMILYQYZPRJ-NWALNABHSA-N -1 3 383.409 -0.082 20 0 GBADHM C[C@@H](C(=O)NC/C=C/CNc1ncc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC001573707993 948441138 /nfs/dbraw/zinc/44/11/38/948441138.db2.gz QPFHMILYQYZPRJ-NWALNABHSA-N -1 3 383.409 -0.082 20 0 GBADHM C[C@@H](C(=O)NC/C=C\CNc1ncc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC001573708043 948441650 /nfs/dbraw/zinc/44/16/50/948441650.db2.gz QPFHMILYQYZPRJ-TYRPZCRBSA-N -1 3 383.409 -0.082 20 0 GBADHM C[C@@H](C(=O)NC/C=C\CNc1ncc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC001573708043 948441647 /nfs/dbraw/zinc/44/16/47/948441647.db2.gz QPFHMILYQYZPRJ-TYRPZCRBSA-N -1 3 383.409 -0.082 20 0 GBADHM C[C@H](C(=O)NC/C=C\CNc1ncc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC001573708044 948441633 /nfs/dbraw/zinc/44/16/33/948441633.db2.gz QPFHMILYQYZPRJ-ZBJFTSOASA-N -1 3 383.409 -0.082 20 0 GBADHM C[C@H](C(=O)NC/C=C\CNc1ncc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC001573708044 948441630 /nfs/dbraw/zinc/44/16/30/948441630.db2.gz QPFHMILYQYZPRJ-ZBJFTSOASA-N -1 3 383.409 -0.082 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573708399 948449932 /nfs/dbraw/zinc/44/99/32/948449932.db2.gz USZJAYQDGBWSHS-GHMZBOCLSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573708399 948449925 /nfs/dbraw/zinc/44/99/25/948449925.db2.gz USZJAYQDGBWSHS-GHMZBOCLSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573708400 948449951 /nfs/dbraw/zinc/44/99/51/948449951.db2.gz USZJAYQDGBWSHS-MNOVXSKESA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573708400 948449944 /nfs/dbraw/zinc/44/99/44/948449944.db2.gz USZJAYQDGBWSHS-MNOVXSKESA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573708401 948449427 /nfs/dbraw/zinc/44/94/27/948449427.db2.gz USZJAYQDGBWSHS-QWRGUYRKSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573708401 948449418 /nfs/dbraw/zinc/44/94/18/948449418.db2.gz USZJAYQDGBWSHS-QWRGUYRKSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573708402 948449273 /nfs/dbraw/zinc/44/92/73/948449273.db2.gz USZJAYQDGBWSHS-WDEREUQCSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573708402 948449268 /nfs/dbraw/zinc/44/92/68/948449268.db2.gz USZJAYQDGBWSHS-WDEREUQCSA-N -1 3 384.404 -0.374 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573708405 948450356 /nfs/dbraw/zinc/45/03/56/948450356.db2.gz UVKHEXPLNBIJDH-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573708405 948450354 /nfs/dbraw/zinc/45/03/54/948450354.db2.gz UVKHEXPLNBIJDH-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)c1cnn(C)c1 ZINC001573708406 948450007 /nfs/dbraw/zinc/45/00/07/948450007.db2.gz UVKHEXPLNBIJDH-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)c1cnn(C)c1 ZINC001573708406 948450003 /nfs/dbraw/zinc/45/00/03/948450003.db2.gz UVKHEXPLNBIJDH-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573708615 948454014 /nfs/dbraw/zinc/45/40/14/948454014.db2.gz WQOOEAQIVQHYKX-GHMZBOCLSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573708615 948454010 /nfs/dbraw/zinc/45/40/10/948454010.db2.gz WQOOEAQIVQHYKX-GHMZBOCLSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573708616 948453133 /nfs/dbraw/zinc/45/31/33/948453133.db2.gz WQOOEAQIVQHYKX-MNOVXSKESA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573708616 948453128 /nfs/dbraw/zinc/45/31/28/948453128.db2.gz WQOOEAQIVQHYKX-MNOVXSKESA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573708617 948456482 /nfs/dbraw/zinc/45/64/82/948456482.db2.gz WQOOEAQIVQHYKX-QWRGUYRKSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573708617 948456477 /nfs/dbraw/zinc/45/64/77/948456477.db2.gz WQOOEAQIVQHYKX-QWRGUYRKSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573708618 948456177 /nfs/dbraw/zinc/45/61/77/948456177.db2.gz WQOOEAQIVQHYKX-WDEREUQCSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573708618 948456169 /nfs/dbraw/zinc/45/61/69/948456169.db2.gz WQOOEAQIVQHYKX-WDEREUQCSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573708707 948458239 /nfs/dbraw/zinc/45/82/39/948458239.db2.gz XKMICHYVTLLJPR-LLVKDONJSA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@@H](C(=O)NCC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1)S(C)(=O)=O ZINC001573708708 948457133 /nfs/dbraw/zinc/45/71/33/948457133.db2.gz XKMICHYVTLLJPR-NSHDSACASA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)n1cncn1 ZINC001573708713 948458133 /nfs/dbraw/zinc/45/81/33/948458133.db2.gz XKSNJHDKRYJFPD-NEPJUHHUSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)n1cncn1 ZINC001573708713 948458129 /nfs/dbraw/zinc/45/81/29/948458129.db2.gz XKSNJHDKRYJFPD-NEPJUHHUSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)n1cncn1 ZINC001573708714 948457355 /nfs/dbraw/zinc/45/73/55/948457355.db2.gz XKSNJHDKRYJFPD-NWDGAFQWSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)n1cncn1 ZINC001573708714 948457349 /nfs/dbraw/zinc/45/73/49/948457349.db2.gz XKSNJHDKRYJFPD-NWDGAFQWSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)n1cncn1 ZINC001573708715 948457814 /nfs/dbraw/zinc/45/78/14/948457814.db2.gz XKSNJHDKRYJFPD-RYUDHWBXSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)n1cncn1 ZINC001573708715 948457808 /nfs/dbraw/zinc/45/78/08/948457808.db2.gz XKSNJHDKRYJFPD-RYUDHWBXSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)n1cncn1 ZINC001573708716 948457845 /nfs/dbraw/zinc/45/78/45/948457845.db2.gz XKSNJHDKRYJFPD-VXGBXAGGSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)n1cncn1 ZINC001573708716 948457839 /nfs/dbraw/zinc/45/78/39/948457839.db2.gz XKSNJHDKRYJFPD-VXGBXAGGSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)n1cncn1 ZINC001573708719 948458396 /nfs/dbraw/zinc/45/83/96/948458396.db2.gz XOACWUKKVHJMDA-AAEUAGOBSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)n1cncn1 ZINC001573708719 948458390 /nfs/dbraw/zinc/45/83/90/948458390.db2.gz XOACWUKKVHJMDA-AAEUAGOBSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)n1cncn1 ZINC001573708720 948458523 /nfs/dbraw/zinc/45/85/23/948458523.db2.gz XOACWUKKVHJMDA-DGCLKSJQSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)n1cncn1 ZINC001573708720 948458516 /nfs/dbraw/zinc/45/85/16/948458516.db2.gz XOACWUKKVHJMDA-DGCLKSJQSA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)n1cncn1 ZINC001573708721 948457899 /nfs/dbraw/zinc/45/78/99/948457899.db2.gz XOACWUKKVHJMDA-WCQYABFASA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)n1cncn1 ZINC001573708721 948457891 /nfs/dbraw/zinc/45/78/91/948457891.db2.gz XOACWUKKVHJMDA-WCQYABFASA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)n1cncn1 ZINC001573708722 948458003 /nfs/dbraw/zinc/45/80/03/948458003.db2.gz XOACWUKKVHJMDA-YPMHNXCESA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)n1cncn1 ZINC001573708722 948457995 /nfs/dbraw/zinc/45/79/95/948457995.db2.gz XOACWUKKVHJMDA-YPMHNXCESA-N -1 3 384.404 -0.564 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573708841 948459378 /nfs/dbraw/zinc/45/93/78/948459378.db2.gz YMQLVJRSQNUKGL-BXKDBHETSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573708841 948459369 /nfs/dbraw/zinc/45/93/69/948459369.db2.gz YMQLVJRSQNUKGL-BXKDBHETSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573708842 948459978 /nfs/dbraw/zinc/45/99/78/948459978.db2.gz YMQLVJRSQNUKGL-CABZTGNLSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573708842 948459971 /nfs/dbraw/zinc/45/99/71/948459971.db2.gz YMQLVJRSQNUKGL-CABZTGNLSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573708973 948463066 /nfs/dbraw/zinc/46/30/66/948463066.db2.gz YMQLVJRSQNUKGL-JOYOIKCWSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573708973 948463057 /nfs/dbraw/zinc/46/30/57/948463057.db2.gz YMQLVJRSQNUKGL-JOYOIKCWSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573708974 948463524 /nfs/dbraw/zinc/46/35/24/948463524.db2.gz YMQLVJRSQNUKGL-SKDRFNHKSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573708974 948463520 /nfs/dbraw/zinc/46/35/20/948463520.db2.gz YMQLVJRSQNUKGL-SKDRFNHKSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573709017 948465464 /nfs/dbraw/zinc/46/54/64/948465464.db2.gz ZEKFVAFADIWLIQ-AAEUAGOBSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573709017 948465459 /nfs/dbraw/zinc/46/54/59/948465459.db2.gz ZEKFVAFADIWLIQ-AAEUAGOBSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573709018 948465762 /nfs/dbraw/zinc/46/57/62/948465762.db2.gz ZEKFVAFADIWLIQ-DGCLKSJQSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@H](C(=O)NC[C@H]1CCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573709018 948465755 /nfs/dbraw/zinc/46/57/55/948465755.db2.gz ZEKFVAFADIWLIQ-DGCLKSJQSA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573709019 948465142 /nfs/dbraw/zinc/46/51/42/948465142.db2.gz ZEKFVAFADIWLIQ-WCQYABFASA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1CCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573709019 948465141 /nfs/dbraw/zinc/46/51/41/948465141.db2.gz ZEKFVAFADIWLIQ-WCQYABFASA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN1Cc1ccccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573709020 948465965 /nfs/dbraw/zinc/46/59/65/948465965.db2.gz ZEKFVAFADIWLIQ-YPMHNXCESA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CCN1Cc1ccccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573709020 948465964 /nfs/dbraw/zinc/46/59/64/948465964.db2.gz ZEKFVAFADIWLIQ-YPMHNXCESA-N -1 3 378.458 -0.010 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573709027 948465846 /nfs/dbraw/zinc/46/58/46/948465846.db2.gz ZIOQAVLPEBSDEJ-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573709027 948465839 /nfs/dbraw/zinc/46/58/39/948465839.db2.gz ZIOQAVLPEBSDEJ-JTQLQIEISA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)c1cnn(C)c1 ZINC001573709028 948465604 /nfs/dbraw/zinc/46/56/04/948465604.db2.gz ZIOQAVLPEBSDEJ-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)c1cnn(C)c1 ZINC001573709028 948465599 /nfs/dbraw/zinc/46/55/99/948465599.db2.gz ZIOQAVLPEBSDEJ-SNVBAGLBSA-N -1 3 383.416 -0.080 20 0 GBADHM C[C@@H](C(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC001573713565 948465481 /nfs/dbraw/zinc/46/54/81/948465481.db2.gz AATKFNZEIQTATA-JTQLQIEISA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC001573713565 948465476 /nfs/dbraw/zinc/46/54/76/948465476.db2.gz AATKFNZEIQTATA-JTQLQIEISA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](C(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC001573713577 948466074 /nfs/dbraw/zinc/46/60/74/948466074.db2.gz AATKFNZEIQTATA-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)cc1F)S(C)(=O)=O ZINC001573713577 948466068 /nfs/dbraw/zinc/46/60/68/948466068.db2.gz AATKFNZEIQTATA-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573713611 948465683 /nfs/dbraw/zinc/46/56/83/948465683.db2.gz AGRMCPSQKBBDCA-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573713611 948465678 /nfs/dbraw/zinc/46/56/78/948465678.db2.gz AGRMCPSQKBBDCA-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1)n1cncn1 ZINC001573713614 948465104 /nfs/dbraw/zinc/46/51/04/948465104.db2.gz AGRMCPSQKBBDCA-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NCCN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1)n1cncn1 ZINC001573713614 948465101 /nfs/dbraw/zinc/46/51/01/948465101.db2.gz AGRMCPSQKBBDCA-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)c(F)c1)S(C)(=O)=O ZINC001573714356 948473037 /nfs/dbraw/zinc/47/30/37/948473037.db2.gz GJFDJNOSDNGQJE-JTQLQIEISA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1)S(C)(=O)=O ZINC001573714356 948473034 /nfs/dbraw/zinc/47/30/34/948473034.db2.gz GJFDJNOSDNGQJE-JTQLQIEISA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](C(=O)NCCN(C)Cc1ccc(-c2nn[n-]n2)c(F)c1)S(C)(=O)=O ZINC001573714357 948472757 /nfs/dbraw/zinc/47/27/57/948472757.db2.gz GJFDJNOSDNGQJE-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](C(=O)NCCN(C)Cc1ccc(-c2nnn[n-]2)c(F)c1)S(C)(=O)=O ZINC001573714357 948472754 /nfs/dbraw/zinc/47/27/54/948472754.db2.gz GJFDJNOSDNGQJE-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@@H](C(=O)NCCN(C)Cc1cc(-c2nn[n-]n2)ccc1F)S(C)(=O)=O ZINC001573715344 948488489 /nfs/dbraw/zinc/48/84/89/948488489.db2.gz UOUASAAIUKRLBE-JTQLQIEISA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](C(=O)NCCN(C)Cc1cc(-c2nn[n-]n2)ccc1F)S(C)(=O)=O ZINC001573715345 948488271 /nfs/dbraw/zinc/48/82/71/948488271.db2.gz UOUASAAIUKRLBE-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573715364 948490230 /nfs/dbraw/zinc/49/02/30/948490230.db2.gz VAIKQNIAXQUOFV-JTQLQIEISA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573715365 948489958 /nfs/dbraw/zinc/48/99/58/948489958.db2.gz VAIKQNIAXQUOFV-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@@H](C(=O)NCCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cncn1 ZINC001573715440 948489264 /nfs/dbraw/zinc/48/92/64/948489264.db2.gz WFQPUPAFDDLKLN-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NCCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cncn1 ZINC001573715440 948489256 /nfs/dbraw/zinc/48/92/56/948489256.db2.gz WFQPUPAFDDLKLN-JTQLQIEISA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NCCN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1)n1cncn1 ZINC001573715441 948490074 /nfs/dbraw/zinc/49/00/74/948490074.db2.gz WFQPUPAFDDLKLN-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@H](C(=O)NCCN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1)n1cncn1 ZINC001573715441 948490072 /nfs/dbraw/zinc/49/00/72/948490072.db2.gz WFQPUPAFDDLKLN-SNVBAGLBSA-N -1 3 384.404 -0.232 20 0 GBADHM C[C@@H](C(=O)NCCN(C)Cc1ccc(F)c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573715534 948492721 /nfs/dbraw/zinc/49/27/21/948492721.db2.gz YJKZLBLMRZVTOJ-JTQLQIEISA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@@H](C(=O)NCCN(C)Cc1ccc(F)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001573715534 948492701 /nfs/dbraw/zinc/49/27/01/948492701.db2.gz YJKZLBLMRZVTOJ-JTQLQIEISA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](C(=O)NCCN(C)Cc1ccc(F)c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573715535 948494100 /nfs/dbraw/zinc/49/41/00/948494100.db2.gz YJKZLBLMRZVTOJ-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](C(=O)NCCN(C)Cc1ccc(F)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC001573715535 948494096 /nfs/dbraw/zinc/49/40/96/948494096.db2.gz YJKZLBLMRZVTOJ-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](CNC(=O)[C@@H](C)N1CCCCC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573715904 948494888 /nfs/dbraw/zinc/49/48/88/948494888.db2.gz ALUNELMMBUBMNK-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)[C@@H](C)N1CCCCC1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573715904 948494878 /nfs/dbraw/zinc/49/48/78/948494878.db2.gz ALUNELMMBUBMNK-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573715905 948494973 /nfs/dbraw/zinc/49/49/73/948494973.db2.gz ALUNELMMBUBMNK-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573715905 948494972 /nfs/dbraw/zinc/49/49/72/948494972.db2.gz ALUNELMMBUBMNK-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)[C@@H](C)N1CCCCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573715914 948494826 /nfs/dbraw/zinc/49/48/26/948494826.db2.gz AUDYQHSOQQLJPN-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)[C@@H](C)N1CCCCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573715914 948494821 /nfs/dbraw/zinc/49/48/21/948494821.db2.gz AUDYQHSOQQLJPN-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573715915 948495687 /nfs/dbraw/zinc/49/56/87/948495687.db2.gz AUDYQHSOQQLJPN-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573715915 948495681 /nfs/dbraw/zinc/49/56/81/948495681.db2.gz AUDYQHSOQQLJPN-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573716444 948498843 /nfs/dbraw/zinc/49/88/43/948498843.db2.gz GDVATPWVKQGCOF-NQBHXWOUSA-N -1 3 393.473 -0.117 20 0 GBADHM C[C@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573716444 948498839 /nfs/dbraw/zinc/49/88/39/948498839.db2.gz GDVATPWVKQGCOF-NQBHXWOUSA-N -1 3 393.473 -0.117 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573716446 948498828 /nfs/dbraw/zinc/49/88/28/948498828.db2.gz GDVATPWVKQGCOF-NTZNESFSSA-N -1 3 393.473 -0.117 20 0 GBADHM C[C@@H](C(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573716446 948498824 /nfs/dbraw/zinc/49/88/24/948498824.db2.gz GDVATPWVKQGCOF-NTZNESFSSA-N -1 3 393.473 -0.117 20 0 GBADHM C[C@H](CNC(=O)[C@@H](C)N1CCCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573716550 948500958 /nfs/dbraw/zinc/50/09/58/948500958.db2.gz HJOQLTUKBBKNHB-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)[C@@H](C)N1CCCCC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573716550 948500954 /nfs/dbraw/zinc/50/09/54/948500954.db2.gz HJOQLTUKBBKNHB-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573716551 948500478 /nfs/dbraw/zinc/50/04/78/948500478.db2.gz HJOQLTUKBBKNHB-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573716551 948500464 /nfs/dbraw/zinc/50/04/64/948500464.db2.gz HJOQLTUKBBKNHB-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)NCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)S(C)(=O)=O ZINC001573716866 948500980 /nfs/dbraw/zinc/50/09/80/948500980.db2.gz IRKHKKSNTAQOOV-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](C(=O)NCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)S(C)(=O)=O ZINC001573716866 948500976 /nfs/dbraw/zinc/50/09/76/948500976.db2.gz IRKHKKSNTAQOOV-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573716867 948500184 /nfs/dbraw/zinc/50/01/84/948500184.db2.gz IRKHKKSNTAQOOV-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573716867 948500176 /nfs/dbraw/zinc/50/01/76/948500176.db2.gz IRKHKKSNTAQOOV-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](C(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573716896 948503336 /nfs/dbraw/zinc/50/33/36/948503336.db2.gz JMSZDJXJASRWJB-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573716897 948502980 /nfs/dbraw/zinc/50/29/80/948502980.db2.gz JMSZDJXJASRWJB-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1Cl)S(C)(=O)=O ZINC001573717478 948507978 /nfs/dbraw/zinc/50/79/78/948507978.db2.gz CVYHXTLETOUSJI-MRVPVSSYSA-N -1 3 387.853 -0.099 20 0 GBADHM C[C@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1Cl)S(C)(=O)=O ZINC001573717478 948507972 /nfs/dbraw/zinc/50/79/72/948507972.db2.gz CVYHXTLETOUSJI-MRVPVSSYSA-N -1 3 387.853 -0.099 20 0 GBADHM C[C@@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1Cl)S(C)(=O)=O ZINC001573717479 948507948 /nfs/dbraw/zinc/50/79/48/948507948.db2.gz CVYHXTLETOUSJI-QMMMGPOBSA-N -1 3 387.853 -0.099 20 0 GBADHM C[C@@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1Cl)S(C)(=O)=O ZINC001573717479 948507942 /nfs/dbraw/zinc/50/79/42/948507942.db2.gz CVYHXTLETOUSJI-QMMMGPOBSA-N -1 3 387.853 -0.099 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573717502 948507898 /nfs/dbraw/zinc/50/78/98/948507898.db2.gz DHXKVVHNIZBXGA-LLVKDONJSA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573717502 948507890 /nfs/dbraw/zinc/50/78/90/948507890.db2.gz DHXKVVHNIZBXGA-LLVKDONJSA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001573717503 948508572 /nfs/dbraw/zinc/50/85/72/948508572.db2.gz DHXKVVHNIZBXGA-NSHDSACASA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001573717503 948508565 /nfs/dbraw/zinc/50/85/65/948508565.db2.gz DHXKVVHNIZBXGA-NSHDSACASA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@H](C(=O)NCC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)S(C)(=O)=O ZINC001573717924 948512285 /nfs/dbraw/zinc/51/22/85/948512285.db2.gz OMZOTBJIXFZEFA-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](C(=O)NCC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)S(C)(=O)=O ZINC001573717924 948512276 /nfs/dbraw/zinc/51/22/76/948512276.db2.gz OMZOTBJIXFZEFA-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573717926 948512983 /nfs/dbraw/zinc/51/29/83/948512983.db2.gz OMZOTBJIXFZEFA-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573717926 948512978 /nfs/dbraw/zinc/51/29/78/948512978.db2.gz OMZOTBJIXFZEFA-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573717962 948513011 /nfs/dbraw/zinc/51/30/11/948513011.db2.gz FXEIBUPWDJVVOM-GFCCVEGCSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573717962 948513007 /nfs/dbraw/zinc/51/30/07/948513007.db2.gz FXEIBUPWDJVVOM-GFCCVEGCSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001573717963 948511773 /nfs/dbraw/zinc/51/17/73/948511773.db2.gz FXEIBUPWDJVVOM-LBPRGKRZSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001573717963 948511768 /nfs/dbraw/zinc/51/17/68/948511768.db2.gz FXEIBUPWDJVVOM-LBPRGKRZSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573718647 948518420 /nfs/dbraw/zinc/51/84/20/948518420.db2.gz INDRBRZACMCSHN-MRVPVSSYSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573718647 948518414 /nfs/dbraw/zinc/51/84/14/948518414.db2.gz INDRBRZACMCSHN-MRVPVSSYSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573718649 948517799 /nfs/dbraw/zinc/51/77/99/948517799.db2.gz INDRBRZACMCSHN-QMMMGPOBSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573718649 948517793 /nfs/dbraw/zinc/51/77/93/948517793.db2.gz INDRBRZACMCSHN-QMMMGPOBSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573718696 948517585 /nfs/dbraw/zinc/51/75/85/948517585.db2.gz JGYBAPUPMYVJMC-GFCCVEGCSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573718696 948517581 /nfs/dbraw/zinc/51/75/81/948517581.db2.gz JGYBAPUPMYVJMC-GFCCVEGCSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001573718698 948517488 /nfs/dbraw/zinc/51/74/88/948517488.db2.gz JGYBAPUPMYVJMC-LBPRGKRZSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001573718698 948517481 /nfs/dbraw/zinc/51/74/81/948517481.db2.gz JGYBAPUPMYVJMC-LBPRGKRZSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573719228 948523302 /nfs/dbraw/zinc/52/33/02/948523302.db2.gz LPVIQSUDDHDWIM-GFCCVEGCSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573719228 948523296 /nfs/dbraw/zinc/52/32/96/948523296.db2.gz LPVIQSUDDHDWIM-GFCCVEGCSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001573719229 948523198 /nfs/dbraw/zinc/52/31/98/948523198.db2.gz LPVIQSUDDHDWIM-LBPRGKRZSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001573719229 948523196 /nfs/dbraw/zinc/52/31/96/948523196.db2.gz LPVIQSUDDHDWIM-LBPRGKRZSA-N -1 3 386.416 -0.192 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573719665 948526932 /nfs/dbraw/zinc/52/69/32/948526932.db2.gz MOGKIIKNBPXYDE-LLVKDONJSA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573719665 948526923 /nfs/dbraw/zinc/52/69/23/948526923.db2.gz MOGKIIKNBPXYDE-LLVKDONJSA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001573719666 948526187 /nfs/dbraw/zinc/52/61/87/948526187.db2.gz MOGKIIKNBPXYDE-NSHDSACASA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001573719666 948526185 /nfs/dbraw/zinc/52/61/85/948526185.db2.gz MOGKIIKNBPXYDE-NSHDSACASA-N -1 3 387.404 -0.797 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001573719745 948529475 /nfs/dbraw/zinc/52/94/75/948529475.db2.gz OXFXGRDRBCGJLW-BXUZGUMPSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001573719745 948529469 /nfs/dbraw/zinc/52/94/69/948529469.db2.gz OXFXGRDRBCGJLW-BXUZGUMPSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001573719746 948529393 /nfs/dbraw/zinc/52/93/93/948529393.db2.gz OXFXGRDRBCGJLW-FZMZJTMJSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001573719746 948529384 /nfs/dbraw/zinc/52/93/84/948529384.db2.gz OXFXGRDRBCGJLW-FZMZJTMJSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCCO1 ZINC001573719747 948528783 /nfs/dbraw/zinc/52/87/83/948528783.db2.gz OXFXGRDRBCGJLW-RISCZKNCSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCCO1 ZINC001573719747 948528778 /nfs/dbraw/zinc/52/87/78/948528778.db2.gz OXFXGRDRBCGJLW-RISCZKNCSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCCO1 ZINC001573719748 948529152 /nfs/dbraw/zinc/52/91/52/948529152.db2.gz OXFXGRDRBCGJLW-SMDDNHRTSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCCO1 ZINC001573719748 948529148 /nfs/dbraw/zinc/52/91/48/948529148.db2.gz OXFXGRDRBCGJLW-SMDDNHRTSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001573720599 948531966 /nfs/dbraw/zinc/53/19/66/948531966.db2.gz QVBIQNWKMFQRGZ-BXUZGUMPSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001573720599 948531956 /nfs/dbraw/zinc/53/19/56/948531956.db2.gz QVBIQNWKMFQRGZ-BXUZGUMPSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001573720602 948532967 /nfs/dbraw/zinc/53/29/67/948532967.db2.gz QVBIQNWKMFQRGZ-FZMZJTMJSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001573720602 948532962 /nfs/dbraw/zinc/53/29/62/948532962.db2.gz QVBIQNWKMFQRGZ-FZMZJTMJSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC001573720605 948532203 /nfs/dbraw/zinc/53/22/03/948532203.db2.gz QVBIQNWKMFQRGZ-RISCZKNCSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC001573720605 948532197 /nfs/dbraw/zinc/53/21/97/948532197.db2.gz QVBIQNWKMFQRGZ-RISCZKNCSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001573720609 948533170 /nfs/dbraw/zinc/53/31/70/948533170.db2.gz QVBIQNWKMFQRGZ-SMDDNHRTSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001573720609 948533166 /nfs/dbraw/zinc/53/31/66/948533166.db2.gz QVBIQNWKMFQRGZ-SMDDNHRTSA-N -1 3 391.432 -0.439 20 0 GBADHM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573720653 948534589 /nfs/dbraw/zinc/53/45/89/948534589.db2.gz RGBHGEVURIOYDS-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573720653 948534586 /nfs/dbraw/zinc/53/45/86/948534586.db2.gz RGBHGEVURIOYDS-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)cn1)C1CC1)S(C)(=O)=O ZINC001573720655 948535055 /nfs/dbraw/zinc/53/50/55/948535055.db2.gz RGBHGEVURIOYDS-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)cn1)C1CC1)S(C)(=O)=O ZINC001573720655 948535054 /nfs/dbraw/zinc/53/50/54/948535054.db2.gz RGBHGEVURIOYDS-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1)S(C)(=O)=O ZINC001573721288 948538023 /nfs/dbraw/zinc/53/80/23/948538023.db2.gz WPDLIUGQIOCRIC-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1)S(C)(=O)=O ZINC001573721288 948538014 /nfs/dbraw/zinc/53/80/14/948538014.db2.gz WPDLIUGQIOCRIC-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)NCCN(c1ccc(-c2nn[n-]n2)nc1)C1CC1)S(C)(=O)=O ZINC001573721289 948537945 /nfs/dbraw/zinc/53/79/45/948537945.db2.gz WPDLIUGQIOCRIC-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)NCCN(c1ccc(-c2nnn[n-]2)nc1)C1CC1)S(C)(=O)=O ZINC001573721289 948537942 /nfs/dbraw/zinc/53/79/42/948537942.db2.gz WPDLIUGQIOCRIC-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573721304 948539752 /nfs/dbraw/zinc/53/97/52/948539752.db2.gz WUVKZZVBARXHHP-MRVPVSSYSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573721304 948539748 /nfs/dbraw/zinc/53/97/48/948539748.db2.gz WUVKZZVBARXHHP-MRVPVSSYSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573721305 948539717 /nfs/dbraw/zinc/53/97/17/948539717.db2.gz WUVKZZVBARXHHP-QMMMGPOBSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@@H](C(=O)NCCN(CCO)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573721305 948539712 /nfs/dbraw/zinc/53/97/12/948539712.db2.gz WUVKZZVBARXHHP-QMMMGPOBSA-N -1 3 389.338 -0.056 20 0 GBADHM C[C@@H](C(=O)NCCN(c1ncccc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573721587 948540919 /nfs/dbraw/zinc/54/09/19/948540919.db2.gz YVNRZFVOYIMVOR-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)NCCN(c1ncccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573721587 948540912 /nfs/dbraw/zinc/54/09/12/948540912.db2.gz YVNRZFVOYIMVOR-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)NCCN(c1ncccc1-c1nn[n-]n1)C1CC1)S(C)(=O)=O ZINC001573721588 948541131 /nfs/dbraw/zinc/54/11/31/948541131.db2.gz YVNRZFVOYIMVOR-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)NCCN(c1ncccc1-c1nnn[n-]1)C1CC1)S(C)(=O)=O ZINC001573721588 948541116 /nfs/dbraw/zinc/54/11/16/948541116.db2.gz YVNRZFVOYIMVOR-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCC(=O)N1 ZINC001573721626 948541496 /nfs/dbraw/zinc/54/14/96/948541496.db2.gz ZPZJRHFVSOTJNM-BXKDBHETSA-N -1 3 376.396 -0.132 20 0 GBADHM C[C@@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCC(=O)N1 ZINC001573721626 948541492 /nfs/dbraw/zinc/54/14/92/948541492.db2.gz ZPZJRHFVSOTJNM-BXKDBHETSA-N -1 3 376.396 -0.132 20 0 GBADHM C[C@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCC(=O)N1 ZINC001573721628 948542548 /nfs/dbraw/zinc/54/25/48/948542548.db2.gz ZPZJRHFVSOTJNM-CABZTGNLSA-N -1 3 376.396 -0.132 20 0 GBADHM C[C@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCC(=O)N1 ZINC001573721628 948542543 /nfs/dbraw/zinc/54/25/43/948542543.db2.gz ZPZJRHFVSOTJNM-CABZTGNLSA-N -1 3 376.396 -0.132 20 0 GBADHM C[C@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F)[C@H]1CCC(=O)N1 ZINC001573721630 948542394 /nfs/dbraw/zinc/54/23/94/948542394.db2.gz ZPZJRHFVSOTJNM-JOYOIKCWSA-N -1 3 376.396 -0.132 20 0 GBADHM C[C@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F)[C@H]1CCC(=O)N1 ZINC001573721630 948542390 /nfs/dbraw/zinc/54/23/90/948542390.db2.gz ZPZJRHFVSOTJNM-JOYOIKCWSA-N -1 3 376.396 -0.132 20 0 GBADHM C[C@@H](C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F)[C@@H]1CCC(=O)N1 ZINC001573721632 948542509 /nfs/dbraw/zinc/54/25/09/948542509.db2.gz ZPZJRHFVSOTJNM-SKDRFNHKSA-N -1 3 376.396 -0.132 20 0 GBADHM C[C@@H](C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F)[C@@H]1CCC(=O)N1 ZINC001573721632 948542503 /nfs/dbraw/zinc/54/25/03/948542503.db2.gz ZPZJRHFVSOTJNM-SKDRFNHKSA-N -1 3 376.396 -0.132 20 0 GBADHM C[C@@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573725537 948544019 /nfs/dbraw/zinc/54/40/19/948544019.db2.gz ALUNELMMBUBMNK-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573725537 948544012 /nfs/dbraw/zinc/54/40/12/948544012.db2.gz ALUNELMMBUBMNK-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N1CCCCC1=O ZINC001573725538 948544494 /nfs/dbraw/zinc/54/44/94/948544494.db2.gz ALUNELMMBUBMNK-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N1CCCCC1=O ZINC001573725538 948544486 /nfs/dbraw/zinc/54/44/86/948544486.db2.gz ALUNELMMBUBMNK-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573725555 948543244 /nfs/dbraw/zinc/54/32/44/948543244.db2.gz AUDYQHSOQQLJPN-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573725555 948543240 /nfs/dbraw/zinc/54/32/40/948543240.db2.gz AUDYQHSOQQLJPN-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCCCC1=O ZINC001573725556 948544364 /nfs/dbraw/zinc/54/43/64/948544364.db2.gz AUDYQHSOQQLJPN-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)NC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCCCC1=O ZINC001573725556 948544356 /nfs/dbraw/zinc/54/43/56/948544356.db2.gz AUDYQHSOQQLJPN-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573725967 948546038 /nfs/dbraw/zinc/54/60/38/948546038.db2.gz DSNOVDVHYMGGLU-FOGDFJRCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573725967 948546027 /nfs/dbraw/zinc/54/60/27/948546027.db2.gz DSNOVDVHYMGGLU-FOGDFJRCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573725968 948545556 /nfs/dbraw/zinc/54/55/56/948545556.db2.gz DSNOVDVHYMGGLU-JBLDHEPKSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573725968 948545548 /nfs/dbraw/zinc/54/55/48/948545548.db2.gz DSNOVDVHYMGGLU-JBLDHEPKSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573726264 948548621 /nfs/dbraw/zinc/54/86/21/948548621.db2.gz HJOQLTUKBBKNHB-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)[C@H](C)N1CCCCC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573726264 948548614 /nfs/dbraw/zinc/54/86/14/948548614.db2.gz HJOQLTUKBBKNHB-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N1CCCCC1=O ZINC001573726265 948547450 /nfs/dbraw/zinc/54/74/50/948547450.db2.gz HJOQLTUKBBKNHB-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N1CCCCC1=O ZINC001573726265 948547444 /nfs/dbraw/zinc/54/74/44/948547444.db2.gz HJOQLTUKBBKNHB-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573726762 948551080 /nfs/dbraw/zinc/55/10/80/948551080.db2.gz JZBXCUIQPHDZIF-GARJFASQSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573726762 948551072 /nfs/dbraw/zinc/55/10/72/948551072.db2.gz JZBXCUIQPHDZIF-GARJFASQSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573726763 948552055 /nfs/dbraw/zinc/55/20/55/948552055.db2.gz JZBXCUIQPHDZIF-MXWKQRLJSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573726763 948552049 /nfs/dbraw/zinc/55/20/49/948552049.db2.gz JZBXCUIQPHDZIF-MXWKQRLJSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NCc1ccco1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573727559 948555909 /nfs/dbraw/zinc/55/59/09/948555909.db2.gz AJOPGEMVRDOJKH-JTQLQIEISA-N -1 3 384.400 -0.093 20 0 GBADHM C[C@@H](C(=O)NCc1ccco1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573727559 948555900 /nfs/dbraw/zinc/55/59/00/948555900.db2.gz AJOPGEMVRDOJKH-JTQLQIEISA-N -1 3 384.400 -0.093 20 0 GBADHM C[C@H](C(=O)NCc1ccco1)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573727567 948556325 /nfs/dbraw/zinc/55/63/25/948556325.db2.gz AJOPGEMVRDOJKH-SNVBAGLBSA-N -1 3 384.400 -0.093 20 0 GBADHM C[C@H](C(=O)NCc1ccco1)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573727567 948556321 /nfs/dbraw/zinc/55/63/21/948556321.db2.gz AJOPGEMVRDOJKH-SNVBAGLBSA-N -1 3 384.400 -0.093 20 0 GBADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573728001 948557680 /nfs/dbraw/zinc/55/76/80/948557680.db2.gz OIDRCAWFGLVUOR-CKYFFXLPSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573728001 948557674 /nfs/dbraw/zinc/55/76/74/948557674.db2.gz OIDRCAWFGLVUOR-CKYFFXLPSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573728004 948557772 /nfs/dbraw/zinc/55/77/72/948557772.db2.gz OIDRCAWFGLVUOR-FOGDFJRCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573728004 948557765 /nfs/dbraw/zinc/55/77/65/948557765.db2.gz OIDRCAWFGLVUOR-FOGDFJRCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573728006 948557746 /nfs/dbraw/zinc/55/77/46/948557746.db2.gz OIDRCAWFGLVUOR-JBLDHEPKSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573728006 948557738 /nfs/dbraw/zinc/55/77/38/948557738.db2.gz OIDRCAWFGLVUOR-JBLDHEPKSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573728008 948557490 /nfs/dbraw/zinc/55/74/90/948557490.db2.gz OIDRCAWFGLVUOR-NHCYSSNCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573728008 948557484 /nfs/dbraw/zinc/55/74/84/948557484.db2.gz OIDRCAWFGLVUOR-NHCYSSNCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573728362 948560979 /nfs/dbraw/zinc/56/09/79/948560979.db2.gz DSNOVDVHYMGGLU-CKYFFXLPSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573728362 948560970 /nfs/dbraw/zinc/56/09/70/948560970.db2.gz DSNOVDVHYMGGLU-CKYFFXLPSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573728364 948561121 /nfs/dbraw/zinc/56/11/21/948561121.db2.gz DSNOVDVHYMGGLU-NHCYSSNCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573728364 948561117 /nfs/dbraw/zinc/56/11/17/948561117.db2.gz DSNOVDVHYMGGLU-NHCYSSNCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573729739 948572161 /nfs/dbraw/zinc/57/21/61/948572161.db2.gz JZBXCUIQPHDZIF-DCAQKATOSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573729739 948572153 /nfs/dbraw/zinc/57/21/53/948572153.db2.gz JZBXCUIQPHDZIF-DCAQKATOSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573729740 948572106 /nfs/dbraw/zinc/57/21/06/948572106.db2.gz JZBXCUIQPHDZIF-GMTAPVOTSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)NC[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573729740 948572098 /nfs/dbraw/zinc/57/20/98/948572098.db2.gz JZBXCUIQPHDZIF-GMTAPVOTSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)NCc1ccco1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573730040 948574977 /nfs/dbraw/zinc/57/49/77/948574977.db2.gz KSFPMPSTXGYAOZ-JTQLQIEISA-N -1 3 384.400 -0.093 20 0 GBADHM C[C@@H](C(=O)NCc1ccco1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573730040 948574972 /nfs/dbraw/zinc/57/49/72/948574972.db2.gz KSFPMPSTXGYAOZ-JTQLQIEISA-N -1 3 384.400 -0.093 20 0 GBADHM C[C@H](C(=O)NCc1ccco1)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573730041 948575759 /nfs/dbraw/zinc/57/57/59/948575759.db2.gz KSFPMPSTXGYAOZ-SNVBAGLBSA-N -1 3 384.400 -0.093 20 0 GBADHM C[C@H](C(=O)NCc1ccco1)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573730041 948575754 /nfs/dbraw/zinc/57/57/54/948575754.db2.gz KSFPMPSTXGYAOZ-SNVBAGLBSA-N -1 3 384.400 -0.093 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001573731052 948587183 /nfs/dbraw/zinc/58/71/83/948587183.db2.gz CRMPGACEMKPFCC-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573731054 948587981 /nfs/dbraw/zinc/58/79/81/948587981.db2.gz CRMPGACEMKPFCC-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)S(C)(=O)=O ZINC001573731854 948595932 /nfs/dbraw/zinc/59/59/32/948595932.db2.gz JANCKHBDANFDSM-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)S(C)(=O)=O ZINC001573731854 948595928 /nfs/dbraw/zinc/59/59/28/948595928.db2.gz JANCKHBDANFDSM-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573731855 948596189 /nfs/dbraw/zinc/59/61/89/948596189.db2.gz JANCKHBDANFDSM-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573731855 948596183 /nfs/dbraw/zinc/59/61/83/948596183.db2.gz JANCKHBDANFDSM-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)S(C)(=O)=O ZINC001573732773 948609110 /nfs/dbraw/zinc/60/91/10/948609110.db2.gz XKWDKCCXFHXSKV-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)S(C)(=O)=O ZINC001573732773 948609103 /nfs/dbraw/zinc/60/91/03/948609103.db2.gz XKWDKCCXFHXSKV-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573732774 948609155 /nfs/dbraw/zinc/60/91/55/948609155.db2.gz XKWDKCCXFHXSKV-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573732774 948609148 /nfs/dbraw/zinc/60/91/48/948609148.db2.gz XKWDKCCXFHXSKV-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573736037 948610831 /nfs/dbraw/zinc/61/08/31/948610831.db2.gz BQVIGKQNOOQWHB-GHMZBOCLSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573736037 948610826 /nfs/dbraw/zinc/61/08/26/948610826.db2.gz BQVIGKQNOOQWHB-GHMZBOCLSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573736038 948611019 /nfs/dbraw/zinc/61/10/19/948611019.db2.gz BQVIGKQNOOQWHB-WDEREUQCSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573736038 948611015 /nfs/dbraw/zinc/61/10/15/948611015.db2.gz BQVIGKQNOOQWHB-WDEREUQCSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1)S(C)(=O)=O ZINC001573739458 948619949 /nfs/dbraw/zinc/61/99/49/948619949.db2.gz CTOOJIKMBRATLM-MHWZDGSBSA-N -1 3 391.457 -0.079 20 0 GBADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1)S(C)(=O)=O ZINC001573739458 948619945 /nfs/dbraw/zinc/61/99/45/948619945.db2.gz CTOOJIKMBRATLM-MHWZDGSBSA-N -1 3 391.457 -0.079 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1)S(C)(=O)=O ZINC001573739460 948618783 /nfs/dbraw/zinc/61/87/83/948618783.db2.gz CTOOJIKMBRATLM-PJQZNRQZSA-N -1 3 391.457 -0.079 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1)S(C)(=O)=O ZINC001573739460 948618777 /nfs/dbraw/zinc/61/87/77/948618777.db2.gz CTOOJIKMBRATLM-PJQZNRQZSA-N -1 3 391.457 -0.079 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1cnn(C)c1 ZINC001573739531 948621019 /nfs/dbraw/zinc/62/10/19/948621019.db2.gz DTRNYYAQAPHEES-GDLCADMTSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1cnn(C)c1 ZINC001573739531 948621015 /nfs/dbraw/zinc/62/10/15/948621015.db2.gz DTRNYYAQAPHEES-GDLCADMTSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)c1cnn(C)c1 ZINC001573739532 948620532 /nfs/dbraw/zinc/62/05/32/948620532.db2.gz DTRNYYAQAPHEES-HONMWMINSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)c1cnn(C)c1 ZINC001573739532 948620523 /nfs/dbraw/zinc/62/05/23/948620523.db2.gz DTRNYYAQAPHEES-HONMWMINSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)c1cnn(C)c1 ZINC001573739533 948621190 /nfs/dbraw/zinc/62/11/90/948621190.db2.gz DTRNYYAQAPHEES-LERXQTSPSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)c1cnn(C)c1 ZINC001573739533 948621186 /nfs/dbraw/zinc/62/11/86/948621186.db2.gz DTRNYYAQAPHEES-LERXQTSPSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)c1cnn(C)c1 ZINC001573739534 948620861 /nfs/dbraw/zinc/62/08/61/948620861.db2.gz DTRNYYAQAPHEES-ZLKJLUDKSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)c1cnn(C)c1 ZINC001573739534 948620858 /nfs/dbraw/zinc/62/08/58/948620858.db2.gz DTRNYYAQAPHEES-ZLKJLUDKSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)n1cccc1 ZINC001573739768 948622992 /nfs/dbraw/zinc/62/29/92/948622992.db2.gz AKSQMKJSFOHNLS-GDLCADMTSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)n1cccc1 ZINC001573739768 948622991 /nfs/dbraw/zinc/62/29/91/948622991.db2.gz AKSQMKJSFOHNLS-GDLCADMTSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)n1cccc1 ZINC001573739770 948622505 /nfs/dbraw/zinc/62/25/05/948622505.db2.gz AKSQMKJSFOHNLS-HONMWMINSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)n1cccc1 ZINC001573739770 948622500 /nfs/dbraw/zinc/62/25/00/948622500.db2.gz AKSQMKJSFOHNLS-HONMWMINSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)n1cccc1 ZINC001573739772 948621988 /nfs/dbraw/zinc/62/19/88/948621988.db2.gz AKSQMKJSFOHNLS-LERXQTSPSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O)n1cccc1 ZINC001573739772 948621980 /nfs/dbraw/zinc/62/19/80/948621980.db2.gz AKSQMKJSFOHNLS-LERXQTSPSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)n1cccc1 ZINC001573739774 948622357 /nfs/dbraw/zinc/62/23/57/948622357.db2.gz AKSQMKJSFOHNLS-ZLKJLUDKSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O)n1cccc1 ZINC001573739774 948622349 /nfs/dbraw/zinc/62/23/49/948622349.db2.gz AKSQMKJSFOHNLS-ZLKJLUDKSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573739876 948625411 /nfs/dbraw/zinc/62/54/11/948625411.db2.gz HYBZMMYAFAECHO-WFFHOREQSA-N -1 3 391.457 -0.079 20 0 GBADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573739876 948625406 /nfs/dbraw/zinc/62/54/06/948625406.db2.gz HYBZMMYAFAECHO-WFFHOREQSA-N -1 3 391.457 -0.079 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573739877 948626114 /nfs/dbraw/zinc/62/61/14/948626114.db2.gz HYBZMMYAFAECHO-YGNMPJRFSA-N -1 3 391.457 -0.079 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573739877 948626105 /nfs/dbraw/zinc/62/61/05/948626105.db2.gz HYBZMMYAFAECHO-YGNMPJRFSA-N -1 3 391.457 -0.079 20 0 GBADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573739998 948626300 /nfs/dbraw/zinc/62/63/00/948626300.db2.gz JIDCMPFSIPTRLO-JHEVNIALSA-N -1 3 391.457 -0.079 20 0 GBADHM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573739998 948626295 /nfs/dbraw/zinc/62/62/95/948626295.db2.gz JIDCMPFSIPTRLO-JHEVNIALSA-N -1 3 391.457 -0.079 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573740000 948626356 /nfs/dbraw/zinc/62/63/56/948626356.db2.gz JIDCMPFSIPTRLO-SQNXGDPESA-N -1 3 391.457 -0.079 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573740000 948626351 /nfs/dbraw/zinc/62/63/51/948626351.db2.gz JIDCMPFSIPTRLO-SQNXGDPESA-N -1 3 391.457 -0.079 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)n1cncn1 ZINC001573740173 948629513 /nfs/dbraw/zinc/62/95/13/948629513.db2.gz GVFFPRYHVIJWGK-IRUJWGPZSA-N -1 3 387.379 -0.476 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)n1cncn1 ZINC001573740173 948629508 /nfs/dbraw/zinc/62/95/08/948629508.db2.gz GVFFPRYHVIJWGK-IRUJWGPZSA-N -1 3 387.379 -0.476 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@H]1O)n1cncn1 ZINC001573740174 948629538 /nfs/dbraw/zinc/62/95/38/948629538.db2.gz GVFFPRYHVIJWGK-UFGOTCBOSA-N -1 3 387.379 -0.476 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@H]1O)n1cncn1 ZINC001573740174 948629534 /nfs/dbraw/zinc/62/95/34/948629534.db2.gz GVFFPRYHVIJWGK-UFGOTCBOSA-N -1 3 387.379 -0.476 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)C(F)(F)F ZINC001573740254 948630518 /nfs/dbraw/zinc/63/05/18/948630518.db2.gz HDOZMBOLYPKCQX-BDODKLCJSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O)C(F)(F)F ZINC001573740254 948630514 /nfs/dbraw/zinc/63/05/14/948630514.db2.gz HDOZMBOLYPKCQX-BDODKLCJSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)C(F)(F)F ZINC001573740255 948631002 /nfs/dbraw/zinc/63/10/02/948631002.db2.gz HDOZMBOLYPKCQX-WQGWLQIFSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O)C(F)(F)F ZINC001573740255 948630994 /nfs/dbraw/zinc/63/09/94/948630994.db2.gz HDOZMBOLYPKCQX-WQGWLQIFSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)n1cccc1 ZINC001573740340 948631998 /nfs/dbraw/zinc/63/19/98/948631998.db2.gz ISUDAGPEHSREEQ-GDLCADMTSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)n1cccc1 ZINC001573740340 948631991 /nfs/dbraw/zinc/63/19/91/948631991.db2.gz ISUDAGPEHSREEQ-GDLCADMTSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)n1cccc1 ZINC001573740341 948633077 /nfs/dbraw/zinc/63/30/77/948633077.db2.gz ISUDAGPEHSREEQ-HONMWMINSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)n1cccc1 ZINC001573740341 948633072 /nfs/dbraw/zinc/63/30/72/948633072.db2.gz ISUDAGPEHSREEQ-HONMWMINSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)n1cccc1 ZINC001573740342 948632025 /nfs/dbraw/zinc/63/20/25/948632025.db2.gz ISUDAGPEHSREEQ-LERXQTSPSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)n1cccc1 ZINC001573740342 948632015 /nfs/dbraw/zinc/63/20/15/948632015.db2.gz ISUDAGPEHSREEQ-LERXQTSPSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)n1cccc1 ZINC001573740343 948632819 /nfs/dbraw/zinc/63/28/19/948632819.db2.gz ISUDAGPEHSREEQ-ZLKJLUDKSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)n1cccc1 ZINC001573740343 948632815 /nfs/dbraw/zinc/63/28/15/948632815.db2.gz ISUDAGPEHSREEQ-ZLKJLUDKSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573740360 948632597 /nfs/dbraw/zinc/63/25/97/948632597.db2.gz JEGQWSDJGVCJOI-CKYFFXLPSA-N -1 3 379.446 -0.364 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573740360 948632592 /nfs/dbraw/zinc/63/25/92/948632592.db2.gz JEGQWSDJGVCJOI-CKYFFXLPSA-N -1 3 379.446 -0.364 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573740361 948632690 /nfs/dbraw/zinc/63/26/90/948632690.db2.gz JEGQWSDJGVCJOI-JFGNBEQYSA-N -1 3 379.446 -0.364 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1C)S(C)(=O)=O ZINC001573740361 948632683 /nfs/dbraw/zinc/63/26/83/948632683.db2.gz JEGQWSDJGVCJOI-JFGNBEQYSA-N -1 3 379.446 -0.364 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)c1cccnc1 ZINC001573740371 948632781 /nfs/dbraw/zinc/63/27/81/948632781.db2.gz JMMRFGHMTLOSAQ-COLVAYQJSA-N -1 3 396.411 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)c1cccnc1 ZINC001573740371 948632775 /nfs/dbraw/zinc/63/27/75/948632775.db2.gz JMMRFGHMTLOSAQ-COLVAYQJSA-N -1 3 396.411 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)c1cccnc1 ZINC001573740372 948632853 /nfs/dbraw/zinc/63/28/53/948632853.db2.gz JMMRFGHMTLOSAQ-VCTAVGKDSA-N -1 3 396.411 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)c1cccnc1 ZINC001573740372 948632849 /nfs/dbraw/zinc/63/28/49/948632849.db2.gz JMMRFGHMTLOSAQ-VCTAVGKDSA-N -1 3 396.411 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C(F)(F)F ZINC001573740471 948635606 /nfs/dbraw/zinc/63/56/06/948635606.db2.gz JVJNXEXNVYITMD-BDODKLCJSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C(F)(F)F ZINC001573740471 948635596 /nfs/dbraw/zinc/63/55/96/948635596.db2.gz JVJNXEXNVYITMD-BDODKLCJSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C(F)(F)F ZINC001573740474 948635508 /nfs/dbraw/zinc/63/55/08/948635508.db2.gz JVJNXEXNVYITMD-DRTBCBBWSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C(F)(F)F ZINC001573740474 948635501 /nfs/dbraw/zinc/63/55/01/948635501.db2.gz JVJNXEXNVYITMD-DRTBCBBWSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C(F)(F)F ZINC001573740476 948635990 /nfs/dbraw/zinc/63/59/90/948635990.db2.gz JVJNXEXNVYITMD-QUNWWBBNSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C(F)(F)F ZINC001573740476 948635987 /nfs/dbraw/zinc/63/59/87/948635987.db2.gz JVJNXEXNVYITMD-QUNWWBBNSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)C(F)(F)F ZINC001573740478 948636486 /nfs/dbraw/zinc/63/64/86/948636486.db2.gz JVJNXEXNVYITMD-WQGWLQIFSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)C(F)(F)F ZINC001573740478 948636481 /nfs/dbraw/zinc/63/64/81/948636481.db2.gz JVJNXEXNVYITMD-WQGWLQIFSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)n1cccc1 ZINC001573740487 948636062 /nfs/dbraw/zinc/63/60/62/948636062.db2.gz JWNXVVKZUZFYQK-GDLCADMTSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)n1cccc1 ZINC001573740487 948636059 /nfs/dbraw/zinc/63/60/59/948636059.db2.gz JWNXVVKZUZFYQK-GDLCADMTSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)n1cccc1 ZINC001573740489 948636191 /nfs/dbraw/zinc/63/61/91/948636191.db2.gz JWNXVVKZUZFYQK-HONMWMINSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)n1cccc1 ZINC001573740489 948636183 /nfs/dbraw/zinc/63/61/83/948636183.db2.gz JWNXVVKZUZFYQK-HONMWMINSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)n1cccc1 ZINC001573740491 948636561 /nfs/dbraw/zinc/63/65/61/948636561.db2.gz JWNXVVKZUZFYQK-LERXQTSPSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)n1cccc1 ZINC001573740491 948636552 /nfs/dbraw/zinc/63/65/52/948636552.db2.gz JWNXVVKZUZFYQK-LERXQTSPSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)n1cccc1 ZINC001573740493 948636686 /nfs/dbraw/zinc/63/66/86/948636686.db2.gz JWNXVVKZUZFYQK-ZLKJLUDKSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)n1cccc1 ZINC001573740493 948636680 /nfs/dbraw/zinc/63/66/80/948636680.db2.gz JWNXVVKZUZFYQK-ZLKJLUDKSA-N -1 3 384.400 -0.441 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C)n1cncn1 ZINC001573740501 948635896 /nfs/dbraw/zinc/63/58/96/948635896.db2.gz JZVAVCPLOALOIB-GBIKHYSHSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C)n1cncn1 ZINC001573740501 948635893 /nfs/dbraw/zinc/63/58/93/948635893.db2.gz JZVAVCPLOALOIB-GBIKHYSHSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1C)n1cncn1 ZINC001573740502 948635654 /nfs/dbraw/zinc/63/56/54/948635654.db2.gz JZVAVCPLOALOIB-GIPNMCIBSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1C)n1cncn1 ZINC001573740502 948635649 /nfs/dbraw/zinc/63/56/49/948635649.db2.gz JZVAVCPLOALOIB-GIPNMCIBSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)c1ccco1 ZINC001573740579 948637750 /nfs/dbraw/zinc/63/77/50/948637750.db2.gz LUJFGGVHCDRZFS-BIMULSAOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)c1ccco1 ZINC001573740579 948637749 /nfs/dbraw/zinc/63/77/49/948637749.db2.gz LUJFGGVHCDRZFS-BIMULSAOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)c1ccco1 ZINC001573740631 948640566 /nfs/dbraw/zinc/64/05/66/948640566.db2.gz LUJFGGVHCDRZFS-OASPWFOLSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)c1ccco1 ZINC001573740631 948640559 /nfs/dbraw/zinc/64/05/59/948640559.db2.gz LUJFGGVHCDRZFS-OASPWFOLSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)c1ccco1 ZINC001573740632 948639224 /nfs/dbraw/zinc/63/92/24/948639224.db2.gz LUJFGGVHCDRZFS-WQAKAFBOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)c1ccco1 ZINC001573740632 948639218 /nfs/dbraw/zinc/63/92/18/948639218.db2.gz LUJFGGVHCDRZFS-WQAKAFBOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)c1ccco1 ZINC001573740633 948639869 /nfs/dbraw/zinc/63/98/69/948639869.db2.gz LUJFGGVHCDRZFS-ZWKOPEQDSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)c1ccco1 ZINC001573740633 948639862 /nfs/dbraw/zinc/63/98/62/948639862.db2.gz LUJFGGVHCDRZFS-ZWKOPEQDSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)c1ccco1 ZINC001573740652 948640484 /nfs/dbraw/zinc/64/04/84/948640484.db2.gz MFVNCQNTNWSAPT-BIMULSAOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)c1ccco1 ZINC001573740652 948640479 /nfs/dbraw/zinc/64/04/79/948640479.db2.gz MFVNCQNTNWSAPT-BIMULSAOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)c1ccco1 ZINC001573740654 948639759 /nfs/dbraw/zinc/63/97/59/948639759.db2.gz MFVNCQNTNWSAPT-WQAKAFBOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)c1ccco1 ZINC001573740654 948639757 /nfs/dbraw/zinc/63/97/57/948639757.db2.gz MFVNCQNTNWSAPT-WQAKAFBOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)c1ccco1 ZINC001573740729 948641618 /nfs/dbraw/zinc/64/16/18/948641618.db2.gz NJZLYROYGVRGAW-BIMULSAOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)c1ccco1 ZINC001573740729 948641613 /nfs/dbraw/zinc/64/16/13/948641613.db2.gz NJZLYROYGVRGAW-BIMULSAOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)c1ccco1 ZINC001573740730 948641576 /nfs/dbraw/zinc/64/15/76/948641576.db2.gz NJZLYROYGVRGAW-OASPWFOLSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)c1ccco1 ZINC001573740730 948641572 /nfs/dbraw/zinc/64/15/72/948641572.db2.gz NJZLYROYGVRGAW-OASPWFOLSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)c1ccco1 ZINC001573740731 948642299 /nfs/dbraw/zinc/64/22/99/948642299.db2.gz NJZLYROYGVRGAW-WQAKAFBOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)c1ccco1 ZINC001573740731 948642296 /nfs/dbraw/zinc/64/22/96/948642296.db2.gz NJZLYROYGVRGAW-WQAKAFBOSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O)c1ccco1 ZINC001573740732 948641141 /nfs/dbraw/zinc/64/11/41/948641141.db2.gz NJZLYROYGVRGAW-ZWKOPEQDSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O)c1ccco1 ZINC001573740732 948641133 /nfs/dbraw/zinc/64/11/33/948641133.db2.gz NJZLYROYGVRGAW-ZWKOPEQDSA-N -1 3 385.384 -0.107 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C)S(C)(=O)=O ZINC001573740803 948643016 /nfs/dbraw/zinc/64/30/16/948643016.db2.gz SWSFTKSEPYYROY-CKYFFXLPSA-N -1 3 379.446 -0.364 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C)S(C)(=O)=O ZINC001573740803 948643012 /nfs/dbraw/zinc/64/30/12/948643012.db2.gz SWSFTKSEPYYROY-CKYFFXLPSA-N -1 3 379.446 -0.364 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C)S(C)(=O)=O ZINC001573740804 948643813 /nfs/dbraw/zinc/64/38/13/948643813.db2.gz SWSFTKSEPYYROY-JFGNBEQYSA-N -1 3 379.446 -0.364 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C)S(C)(=O)=O ZINC001573740804 948643809 /nfs/dbraw/zinc/64/38/09/948643809.db2.gz SWSFTKSEPYYROY-JFGNBEQYSA-N -1 3 379.446 -0.364 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O)n1cncn1 ZINC001573741086 948648570 /nfs/dbraw/zinc/64/85/70/948648570.db2.gz SIHADMMLUVFEEG-JLLWLGSASA-N -1 3 389.445 -0.558 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)n1cncn1 ZINC001573741086 948648567 /nfs/dbraw/zinc/64/85/67/948648567.db2.gz SIHADMMLUVFEEG-JLLWLGSASA-N -1 3 389.445 -0.558 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)n1cncn1 ZINC001573741088 948649188 /nfs/dbraw/zinc/64/91/88/948649188.db2.gz SIHADMMLUVFEEG-MVWJERBFSA-N -1 3 389.445 -0.558 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)n1cncn1 ZINC001573741088 948649180 /nfs/dbraw/zinc/64/91/80/948649180.db2.gz SIHADMMLUVFEEG-MVWJERBFSA-N -1 3 389.445 -0.558 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1O)n1cncn1 ZINC001573741090 948649138 /nfs/dbraw/zinc/64/91/38/948649138.db2.gz SIHADMMLUVFEEG-WCQGTBRESA-N -1 3 389.445 -0.558 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1O)n1cncn1 ZINC001573741090 948649132 /nfs/dbraw/zinc/64/91/32/948649132.db2.gz SIHADMMLUVFEEG-WCQGTBRESA-N -1 3 389.445 -0.558 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O)n1cncn1 ZINC001573741099 948651263 /nfs/dbraw/zinc/65/12/63/948651263.db2.gz SIHADMMLUVFEEG-YUSALJHKSA-N -1 3 389.445 -0.558 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O)n1cncn1 ZINC001573741099 948651256 /nfs/dbraw/zinc/65/12/56/948651256.db2.gz SIHADMMLUVFEEG-YUSALJHKSA-N -1 3 389.445 -0.558 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)C(C)(F)F ZINC001573741128 948650729 /nfs/dbraw/zinc/65/07/29/948650729.db2.gz STZOVAWUVJVMBU-AVPPRXQKSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O)C(C)(F)F ZINC001573741128 948650723 /nfs/dbraw/zinc/65/07/23/948650723.db2.gz STZOVAWUVJVMBU-AVPPRXQKSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)C(C)(F)F ZINC001573741130 948651438 /nfs/dbraw/zinc/65/14/38/948651438.db2.gz STZOVAWUVJVMBU-ONOSFVFSSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)C(C)(F)F ZINC001573741130 948651430 /nfs/dbraw/zinc/65/14/30/948651430.db2.gz STZOVAWUVJVMBU-ONOSFVFSSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O)C(C)(F)F ZINC001573741132 948650178 /nfs/dbraw/zinc/65/01/78/948650178.db2.gz STZOVAWUVJVMBU-WHGOUJPWSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O)C(C)(F)F ZINC001573741132 948650172 /nfs/dbraw/zinc/65/01/72/948650172.db2.gz STZOVAWUVJVMBU-WHGOUJPWSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O)C(C)(F)F ZINC001573741134 948650081 /nfs/dbraw/zinc/65/00/81/948650081.db2.gz STZOVAWUVJVMBU-XROYCOCOSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O)C(C)(F)F ZINC001573741134 948650075 /nfs/dbraw/zinc/65/00/75/948650075.db2.gz STZOVAWUVJVMBU-XROYCOCOSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)c1cccnc1 ZINC001573741160 948650068 /nfs/dbraw/zinc/65/00/68/948650068.db2.gz UEGDEGYNPJUGIN-KMUNFCNLSA-N -1 3 396.411 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)c1cccnc1 ZINC001573741160 948650064 /nfs/dbraw/zinc/65/00/64/948650064.db2.gz UEGDEGYNPJUGIN-KMUNFCNLSA-N -1 3 396.411 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)c1cccnc1 ZINC001573741161 948651082 /nfs/dbraw/zinc/65/10/82/948651082.db2.gz UEGDEGYNPJUGIN-VQISRLSMSA-N -1 3 396.411 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)c1cccnc1 ZINC001573741161 948651074 /nfs/dbraw/zinc/65/10/74/948651074.db2.gz UEGDEGYNPJUGIN-VQISRLSMSA-N -1 3 396.411 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1cnn(C)c1 ZINC001573741241 948652414 /nfs/dbraw/zinc/65/24/14/948652414.db2.gz USTLHQARCMCKPJ-COLVAYQJSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1cnn(C)c1 ZINC001573741241 948652410 /nfs/dbraw/zinc/65/24/10/948652410.db2.gz USTLHQARCMCKPJ-COLVAYQJSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1cnn(C)c1 ZINC001573741242 948652291 /nfs/dbraw/zinc/65/22/91/948652291.db2.gz USTLHQARCMCKPJ-KMUNFCNLSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1cnn(C)c1 ZINC001573741242 948652286 /nfs/dbraw/zinc/65/22/86/948652286.db2.gz USTLHQARCMCKPJ-KMUNFCNLSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O)c1cnn(C)c1 ZINC001573741243 948652483 /nfs/dbraw/zinc/65/24/83/948652483.db2.gz USTLHQARCMCKPJ-VCTAVGKDSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O)c1cnn(C)c1 ZINC001573741243 948652479 /nfs/dbraw/zinc/65/24/79/948652479.db2.gz USTLHQARCMCKPJ-VCTAVGKDSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)c1cnn(C)c1 ZINC001573741244 948652507 /nfs/dbraw/zinc/65/25/07/948652507.db2.gz USTLHQARCMCKPJ-VQISRLSMSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)c1cnn(C)c1 ZINC001573741244 948652504 /nfs/dbraw/zinc/65/25/04/948652504.db2.gz USTLHQARCMCKPJ-VQISRLSMSA-N -1 3 383.416 -0.535 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C)S(C)(=O)=O ZINC001573741442 948654229 /nfs/dbraw/zinc/65/42/29/948654229.db2.gz XKCQXAUMVYJCNP-KBVBSXBZSA-N -1 3 395.445 -0.795 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C)S(C)(=O)=O ZINC001573741449 948653908 /nfs/dbraw/zinc/65/39/08/948653908.db2.gz XKCQXAUMVYJCNP-VDDIYKPWSA-N -1 3 395.445 -0.795 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C(C)(F)F ZINC001573741506 948654128 /nfs/dbraw/zinc/65/41/28/948654128.db2.gz XWAFXOKTZNKXEL-ONOSFVFSSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C(C)(F)F ZINC001573741506 948654124 /nfs/dbraw/zinc/65/41/24/948654124.db2.gz XWAFXOKTZNKXEL-ONOSFVFSSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C(C)(F)F ZINC001573741508 948654144 /nfs/dbraw/zinc/65/41/44/948654144.db2.gz XWAFXOKTZNKXEL-XROYCOCOSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C(C)(F)F ZINC001573741508 948654141 /nfs/dbraw/zinc/65/41/41/948654141.db2.gz XWAFXOKTZNKXEL-XROYCOCOSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573741509 948654028 /nfs/dbraw/zinc/65/40/28/948654028.db2.gz BQVIGKQNOOQWHB-MNOVXSKESA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573741509 948654023 /nfs/dbraw/zinc/65/40/23/948654023.db2.gz BQVIGKQNOOQWHB-MNOVXSKESA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573741511 948653875 /nfs/dbraw/zinc/65/38/75/948653875.db2.gz BQVIGKQNOOQWHB-QWRGUYRKSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573741511 948653873 /nfs/dbraw/zinc/65/38/73/948653873.db2.gz BQVIGKQNOOQWHB-QWRGUYRKSA-N -1 3 379.446 -0.220 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C)n1cncn1 ZINC001573741540 948656135 /nfs/dbraw/zinc/65/61/35/948656135.db2.gz CLNDGSZRXQFGAT-MXWKQRLJSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C)n1cncn1 ZINC001573741540 948656130 /nfs/dbraw/zinc/65/61/30/948656130.db2.gz CLNDGSZRXQFGAT-MXWKQRLJSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H]1C)n1cncn1 ZINC001573741542 948655592 /nfs/dbraw/zinc/65/55/92/948655592.db2.gz CLNDGSZRXQFGAT-VWYCJHECSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H]1C)n1cncn1 ZINC001573741542 948655585 /nfs/dbraw/zinc/65/55/85/948655585.db2.gz CLNDGSZRXQFGAT-VWYCJHECSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C(C)(F)F ZINC001573741564 948655369 /nfs/dbraw/zinc/65/53/69/948655369.db2.gz ZHKTYRQVXWFRBR-ONOSFVFSSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C(C)(F)F ZINC001573741564 948655365 /nfs/dbraw/zinc/65/53/65/948655365.db2.gz ZHKTYRQVXWFRBR-ONOSFVFSSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O)C(C)(F)F ZINC001573741566 948656432 /nfs/dbraw/zinc/65/64/32/948656432.db2.gz ZHKTYRQVXWFRBR-XROYCOCOSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O)C(C)(F)F ZINC001573741566 948656427 /nfs/dbraw/zinc/65/64/27/948656427.db2.gz ZHKTYRQVXWFRBR-XROYCOCOSA-N -1 3 383.359 -0.212 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C(F)(F)F ZINC001573741572 948655437 /nfs/dbraw/zinc/65/54/37/948655437.db2.gz ZKLYQXPVMVZXSU-BDODKLCJSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)C(F)(F)F ZINC001573741572 948655431 /nfs/dbraw/zinc/65/54/31/948655431.db2.gz ZKLYQXPVMVZXSU-BDODKLCJSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C(F)(F)F ZINC001573741574 948656119 /nfs/dbraw/zinc/65/61/19/948656119.db2.gz ZKLYQXPVMVZXSU-DRTBCBBWSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C(F)(F)F ZINC001573741574 948656116 /nfs/dbraw/zinc/65/61/16/948656116.db2.gz ZKLYQXPVMVZXSU-DRTBCBBWSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O)C(F)(F)F ZINC001573741577 948656066 /nfs/dbraw/zinc/65/60/66/948656066.db2.gz ZKLYQXPVMVZXSU-QUNWWBBNSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O)C(F)(F)F ZINC001573741577 948656060 /nfs/dbraw/zinc/65/60/60/948656060.db2.gz ZKLYQXPVMVZXSU-QUNWWBBNSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)C(F)(F)F ZINC001573741579 948656216 /nfs/dbraw/zinc/65/62/16/948656216.db2.gz ZKLYQXPVMVZXSU-WQGWLQIFSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)C(F)(F)F ZINC001573741579 948656212 /nfs/dbraw/zinc/65/62/12/948656212.db2.gz ZKLYQXPVMVZXSU-WQGWLQIFSA-N -1 3 387.322 -0.305 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C)n1cncn1 ZINC001573741600 948658145 /nfs/dbraw/zinc/65/81/45/948658145.db2.gz DQOHLXYPFGKQDQ-FOGDFJRCSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C)n1cncn1 ZINC001573741600 948658141 /nfs/dbraw/zinc/65/81/41/948658141.db2.gz DQOHLXYPFGKQDQ-FOGDFJRCSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C)n1cncn1 ZINC001573741602 948658195 /nfs/dbraw/zinc/65/81/95/948658195.db2.gz DQOHLXYPFGKQDQ-SCVCMEIPSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H]1C)n1cncn1 ZINC001573741602 948658188 /nfs/dbraw/zinc/65/81/88/948658188.db2.gz DQOHLXYPFGKQDQ-SCVCMEIPSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C)S(C)(=O)=O ZINC001573742291 948660854 /nfs/dbraw/zinc/66/08/54/948660854.db2.gz JYLURFIJRIQVNC-KKZNHRDASA-N -1 3 395.445 -0.653 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H]1C)S(C)(=O)=O ZINC001573742294 948661233 /nfs/dbraw/zinc/66/12/33/948661233.db2.gz JYLURFIJRIQVNC-YWVKMMECSA-N -1 3 395.445 -0.653 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C)n1cncn1 ZINC001573742666 948662414 /nfs/dbraw/zinc/66/24/14/948662414.db2.gz PMIKVALNOFBORE-FOGDFJRCSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C)n1cncn1 ZINC001573742666 948662408 /nfs/dbraw/zinc/66/24/08/948662408.db2.gz PMIKVALNOFBORE-FOGDFJRCSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C)n1cncn1 ZINC001573742667 948662835 /nfs/dbraw/zinc/66/28/35/948662835.db2.gz PMIKVALNOFBORE-SCVCMEIPSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C)n1cncn1 ZINC001573742667 948662830 /nfs/dbraw/zinc/66/28/30/948662830.db2.gz PMIKVALNOFBORE-SCVCMEIPSA-N -1 3 384.404 -0.233 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573745088 948667953 /nfs/dbraw/zinc/66/79/53/948667953.db2.gz ARLVDBVNNCUJTQ-IXLVHKGHSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573745088 948667950 /nfs/dbraw/zinc/66/79/50/948667950.db2.gz ARLVDBVNNCUJTQ-IXLVHKGHSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573745091 948667738 /nfs/dbraw/zinc/66/77/38/948667738.db2.gz ARLVDBVNNCUJTQ-KXGXSXBTSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573745091 948667733 /nfs/dbraw/zinc/66/77/33/948667733.db2.gz ARLVDBVNNCUJTQ-KXGXSXBTSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573745094 948667370 /nfs/dbraw/zinc/66/73/70/948667370.db2.gz ARLVDBVNNCUJTQ-OHBODLIOSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573745094 948667365 /nfs/dbraw/zinc/66/73/65/948667365.db2.gz ARLVDBVNNCUJTQ-OHBODLIOSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573745096 948667413 /nfs/dbraw/zinc/66/74/13/948667413.db2.gz ARLVDBVNNCUJTQ-YJQGPUDQSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573745096 948667409 /nfs/dbraw/zinc/66/74/09/948667409.db2.gz ARLVDBVNNCUJTQ-YJQGPUDQSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573745105 948668816 /nfs/dbraw/zinc/66/88/16/948668816.db2.gz ARLVDBVNNCUJTQ-HJQYOEGKSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573745105 948668813 /nfs/dbraw/zinc/66/88/13/948668813.db2.gz ARLVDBVNNCUJTQ-HJQYOEGKSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573745108 948669454 /nfs/dbraw/zinc/66/94/54/948669454.db2.gz ARLVDBVNNCUJTQ-HKWIRBFKSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573745108 948669448 /nfs/dbraw/zinc/66/94/48/948669448.db2.gz ARLVDBVNNCUJTQ-HKWIRBFKSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573745112 948669817 /nfs/dbraw/zinc/66/98/17/948669817.db2.gz ARLVDBVNNCUJTQ-PDEGPIFNSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@H]1CCC(=O)N1 ZINC001573745112 948669810 /nfs/dbraw/zinc/66/98/10/948669810.db2.gz ARLVDBVNNCUJTQ-PDEGPIFNSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573745115 948669368 /nfs/dbraw/zinc/66/93/68/948669368.db2.gz ARLVDBVNNCUJTQ-VGDYDELISA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)[C@@H]1CCC(=O)N1 ZINC001573745115 948669362 /nfs/dbraw/zinc/66/93/62/948669362.db2.gz ARLVDBVNNCUJTQ-VGDYDELISA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573745491 948673184 /nfs/dbraw/zinc/67/31/84/948673184.db2.gz DXJZRWGGKQRHKV-QNSHHTMESA-N -1 3 381.418 -0.995 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573745494 948672707 /nfs/dbraw/zinc/67/27/07/948672707.db2.gz DXJZRWGGKQRHKV-UJNFCWOMSA-N -1 3 381.418 -0.995 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573745577 948672043 /nfs/dbraw/zinc/67/20/43/948672043.db2.gz DXJZRWGGKQRHKV-HGNGGELXSA-N -1 3 381.418 -0.995 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573745579 948673123 /nfs/dbraw/zinc/67/31/23/948673123.db2.gz DXJZRWGGKQRHKV-SZEHBUNVSA-N -1 3 381.418 -0.995 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C)S(C)(=O)=O ZINC001573745648 948674385 /nfs/dbraw/zinc/67/43/85/948674385.db2.gz FZHUIWCKNHCEEQ-FOGDFJRCSA-N -1 3 379.446 -0.222 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C)S(C)(=O)=O ZINC001573745648 948674379 /nfs/dbraw/zinc/67/43/79/948674379.db2.gz FZHUIWCKNHCEEQ-FOGDFJRCSA-N -1 3 379.446 -0.222 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C)S(C)(=O)=O ZINC001573745652 948673748 /nfs/dbraw/zinc/67/37/48/948673748.db2.gz FZHUIWCKNHCEEQ-SCVCMEIPSA-N -1 3 379.446 -0.222 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C)S(C)(=O)=O ZINC001573745652 948673741 /nfs/dbraw/zinc/67/37/41/948673741.db2.gz FZHUIWCKNHCEEQ-SCVCMEIPSA-N -1 3 379.446 -0.222 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)S(C)(=O)=O ZINC001573746120 948679124 /nfs/dbraw/zinc/67/91/24/948679124.db2.gz JRRDDIMPFXIDFY-QNSHHTMESA-N -1 3 381.418 -0.995 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)S(C)(=O)=O ZINC001573746120 948679117 /nfs/dbraw/zinc/67/91/17/948679117.db2.gz JRRDDIMPFXIDFY-QNSHHTMESA-N -1 3 381.418 -0.995 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)S(C)(=O)=O ZINC001573746121 948678657 /nfs/dbraw/zinc/67/86/57/948678657.db2.gz JRRDDIMPFXIDFY-UJNFCWOMSA-N -1 3 381.418 -0.995 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)S(C)(=O)=O ZINC001573746121 948678655 /nfs/dbraw/zinc/67/86/55/948678655.db2.gz JRRDDIMPFXIDFY-UJNFCWOMSA-N -1 3 381.418 -0.995 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)N1C(=O)CCC1=O ZINC001573746376 948680657 /nfs/dbraw/zinc/68/06/57/948680657.db2.gz JNKJQDHOIUPSLS-GARJFASQSA-N -1 3 384.400 -0.142 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)N1C(=O)CCC1=O ZINC001573746376 948680655 /nfs/dbraw/zinc/68/06/55/948680655.db2.gz JNKJQDHOIUPSLS-GARJFASQSA-N -1 3 384.400 -0.142 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C1)N1C(=O)CCC1=O ZINC001573746377 948680748 /nfs/dbraw/zinc/68/07/48/948680748.db2.gz JNKJQDHOIUPSLS-MXWKQRLJSA-N -1 3 384.400 -0.142 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C1)N1C(=O)CCC1=O ZINC001573746377 948680745 /nfs/dbraw/zinc/68/07/45/948680745.db2.gz JNKJQDHOIUPSLS-MXWKQRLJSA-N -1 3 384.400 -0.142 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573746384 948680760 /nfs/dbraw/zinc/68/07/60/948680760.db2.gz LCYYSWGCBWWEBU-FOGDFJRCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573746384 948680757 /nfs/dbraw/zinc/68/07/57/948680757.db2.gz LCYYSWGCBWWEBU-FOGDFJRCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573746386 948680783 /nfs/dbraw/zinc/68/07/83/948680783.db2.gz LCYYSWGCBWWEBU-JBLDHEPKSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573746386 948680781 /nfs/dbraw/zinc/68/07/81/948680781.db2.gz LCYYSWGCBWWEBU-JBLDHEPKSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)S(C)(=O)=O ZINC001573746398 948680862 /nfs/dbraw/zinc/68/08/62/948680862.db2.gz JRRDDIMPFXIDFY-HGNGGELXSA-N -1 3 381.418 -0.995 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)S(C)(=O)=O ZINC001573746398 948680858 /nfs/dbraw/zinc/68/08/58/948680858.db2.gz JRRDDIMPFXIDFY-HGNGGELXSA-N -1 3 381.418 -0.995 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)S(C)(=O)=O ZINC001573746400 948680937 /nfs/dbraw/zinc/68/09/37/948680937.db2.gz JRRDDIMPFXIDFY-SZEHBUNVSA-N -1 3 381.418 -0.995 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)S(C)(=O)=O ZINC001573746400 948680934 /nfs/dbraw/zinc/68/09/34/948680934.db2.gz JRRDDIMPFXIDFY-SZEHBUNVSA-N -1 3 381.418 -0.995 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573746789 948684419 /nfs/dbraw/zinc/68/44/19/948684419.db2.gz LCYYSWGCBWWEBU-CKYFFXLPSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573746789 948684414 /nfs/dbraw/zinc/68/44/14/948684414.db2.gz LCYYSWGCBWWEBU-CKYFFXLPSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001573746791 948684790 /nfs/dbraw/zinc/68/47/90/948684790.db2.gz LCYYSWGCBWWEBU-NHCYSSNCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001573746791 948684786 /nfs/dbraw/zinc/68/47/86/948684786.db2.gz LCYYSWGCBWWEBU-NHCYSSNCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H]1C)S(C)(=O)=O ZINC001573746856 948685756 /nfs/dbraw/zinc/68/57/56/948685756.db2.gz PYOMOGKIXPUHHQ-FOGDFJRCSA-N -1 3 379.446 -0.222 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H]1C)S(C)(=O)=O ZINC001573746856 948685750 /nfs/dbraw/zinc/68/57/50/948685750.db2.gz PYOMOGKIXPUHHQ-FOGDFJRCSA-N -1 3 379.446 -0.222 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)[C@@H]1C)S(C)(=O)=O ZINC001573746860 948686533 /nfs/dbraw/zinc/68/65/33/948686533.db2.gz PYOMOGKIXPUHHQ-SCVCMEIPSA-N -1 3 379.446 -0.222 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)[C@@H]1C)S(C)(=O)=O ZINC001573746860 948686528 /nfs/dbraw/zinc/68/65/28/948686528.db2.gz PYOMOGKIXPUHHQ-SCVCMEIPSA-N -1 3 379.446 -0.222 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573746937 948688218 /nfs/dbraw/zinc/68/82/18/948688218.db2.gz RNXDVXDYGUFYCQ-GARJFASQSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573746937 948688214 /nfs/dbraw/zinc/68/82/14/948688214.db2.gz RNXDVXDYGUFYCQ-GARJFASQSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573746938 948687263 /nfs/dbraw/zinc/68/72/63/948687263.db2.gz RNXDVXDYGUFYCQ-MXWKQRLJSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573746938 948687260 /nfs/dbraw/zinc/68/72/60/948687260.db2.gz RNXDVXDYGUFYCQ-MXWKQRLJSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573747399 948689026 /nfs/dbraw/zinc/68/90/26/948689026.db2.gz TXKXWTGKOANFSE-IXLVHKGHSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573747399 948689018 /nfs/dbraw/zinc/68/90/18/948689018.db2.gz TXKXWTGKOANFSE-IXLVHKGHSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573747401 948691331 /nfs/dbraw/zinc/69/13/31/948691331.db2.gz TXKXWTGKOANFSE-KXGXSXBTSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573747401 948691325 /nfs/dbraw/zinc/69/13/25/948691325.db2.gz TXKXWTGKOANFSE-KXGXSXBTSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573747403 948691528 /nfs/dbraw/zinc/69/15/28/948691528.db2.gz TXKXWTGKOANFSE-OHBODLIOSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573747403 948691524 /nfs/dbraw/zinc/69/15/24/948691524.db2.gz TXKXWTGKOANFSE-OHBODLIOSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573747405 948691592 /nfs/dbraw/zinc/69/15/92/948691592.db2.gz TXKXWTGKOANFSE-YJQGPUDQSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573747405 948691588 /nfs/dbraw/zinc/69/15/88/948691588.db2.gz TXKXWTGKOANFSE-YJQGPUDQSA-N -1 3 386.416 -0.514 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573747440 948691428 /nfs/dbraw/zinc/69/14/28/948691428.db2.gz USRGJDHGHVAKBT-FOGDFJRCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573747440 948691423 /nfs/dbraw/zinc/69/14/23/948691423.db2.gz USRGJDHGHVAKBT-FOGDFJRCSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001573747442 948690447 /nfs/dbraw/zinc/69/04/47/948690447.db2.gz USRGJDHGHVAKBT-JBLDHEPKSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001573747442 948690443 /nfs/dbraw/zinc/69/04/43/948690443.db2.gz USRGJDHGHVAKBT-JBLDHEPKSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573748086 948694923 /nfs/dbraw/zinc/69/49/23/948694923.db2.gz RNXDVXDYGUFYCQ-DCAQKATOSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)n1cncn1 ZINC001573748086 948694920 /nfs/dbraw/zinc/69/49/20/948694920.db2.gz RNXDVXDYGUFYCQ-DCAQKATOSA-N -1 3 384.404 -0.328 20 0 GBADHM C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)n1cncn1 ZINC001573748087 948695062 /nfs/dbraw/zinc/69/50/62/948695062.db2.gz RNXDVXDYGUFYCQ-GMTAPVOTSA-N -1 3 384.404 -0.328 20 0 GBADHM 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C[C@H](C(N)=O)N1CCOC2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573754919 948750922 /nfs/dbraw/zinc/75/09/22/948750922.db2.gz LIUWFCCVQBONMM-LLVKDONJSA-N -1 3 388.432 -0.624 20 0 GBADHM C[C@H](C(N)=O)N1CCOC2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001573754919 948750906 /nfs/dbraw/zinc/75/09/06/948750906.db2.gz LIUWFCCVQBONMM-LLVKDONJSA-N -1 3 388.432 -0.624 20 0 GBADHM C[C@@H](C(N)=O)N1CCOC2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)C1 ZINC001573754920 948749433 /nfs/dbraw/zinc/74/94/33/948749433.db2.gz LIUWFCCVQBONMM-NSHDSACASA-N -1 3 388.432 -0.624 20 0 GBADHM C[C@@H](C(N)=O)N1CCOC2(CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)C1 ZINC001573754920 948749424 /nfs/dbraw/zinc/74/94/24/948749424.db2.gz LIUWFCCVQBONMM-NSHDSACASA-N -1 3 388.432 -0.624 20 0 GBADHM C[C@@H](C(=O)Nc1ncccn1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573754923 948749729 /nfs/dbraw/zinc/74/97/29/948749729.db2.gz LKGKAWVZQCINGY-JTQLQIEISA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@@H](C(=O)Nc1ncccn1)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573754923 948749721 /nfs/dbraw/zinc/74/97/21/948749721.db2.gz LKGKAWVZQCINGY-JTQLQIEISA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@H](C(=O)Nc1ncccn1)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573754924 948751076 /nfs/dbraw/zinc/75/10/76/948751076.db2.gz LKGKAWVZQCINGY-SNVBAGLBSA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@H](C(=O)Nc1ncccn1)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573754924 948751066 /nfs/dbraw/zinc/75/10/66/948751066.db2.gz LKGKAWVZQCINGY-SNVBAGLBSA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@H](C(N)=O)N1CCOC2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573754935 948749361 /nfs/dbraw/zinc/74/93/61/948749361.db2.gz LQFRWVDEPMEGRF-LLVKDONJSA-N -1 3 388.432 -0.624 20 0 GBADHM C[C@H](C(N)=O)N1CCOC2(CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001573754935 948749352 /nfs/dbraw/zinc/74/93/52/948749352.db2.gz LQFRWVDEPMEGRF-LLVKDONJSA-N -1 3 388.432 -0.624 20 0 GBADHM C[C@@H](C(N)=O)N1CCOC2(CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573754936 948751156 /nfs/dbraw/zinc/75/11/56/948751156.db2.gz LQFRWVDEPMEGRF-NSHDSACASA-N -1 3 388.432 -0.624 20 0 GBADHM C[C@@H](C(N)=O)N1CCOC2(CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001573754936 948751144 /nfs/dbraw/zinc/75/11/44/948751144.db2.gz LQFRWVDEPMEGRF-NSHDSACASA-N -1 3 388.432 -0.624 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)S(C)(=O)=O ZINC001573755125 948754704 /nfs/dbraw/zinc/75/47/04/948754704.db2.gz AQLSFBLZTKNVEL-OHBODLIOSA-N -1 3 377.430 -0.754 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)S(C)(=O)=O ZINC001573755125 948754695 /nfs/dbraw/zinc/75/46/95/948754695.db2.gz AQLSFBLZTKNVEL-OHBODLIOSA-N -1 3 377.430 -0.754 20 0 GBADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)S(C)(=O)=O ZINC001573755126 948752419 /nfs/dbraw/zinc/75/24/19/948752419.db2.gz AQLSFBLZTKNVEL-YJQGPUDQSA-N -1 3 377.430 -0.754 20 0 GBADHM C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)S(C)(=O)=O ZINC001573755126 948752413 /nfs/dbraw/zinc/75/24/13/948752413.db2.gz AQLSFBLZTKNVEL-YJQGPUDQSA-N -1 3 377.430 -0.754 20 0 GBADHM C[C@H](C(N)=O)N1CCC(F)(F)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573755263 948759156 /nfs/dbraw/zinc/75/91/56/948759156.db2.gz NRIIYXCXMFKKPC-BDAKNGLRSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@H](C(N)=O)N1CCC(F)(F)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573755263 948759145 /nfs/dbraw/zinc/75/91/45/948759145.db2.gz NRIIYXCXMFKKPC-BDAKNGLRSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CCC(F)(F)[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573755264 948760610 /nfs/dbraw/zinc/76/06/10/948760610.db2.gz NRIIYXCXMFKKPC-DTWKUNHWSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CCC(F)(F)[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573755264 948760602 /nfs/dbraw/zinc/76/06/02/948760602.db2.gz NRIIYXCXMFKKPC-DTWKUNHWSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CCC(F)(F)[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573755265 948760784 /nfs/dbraw/zinc/76/07/84/948760784.db2.gz NRIIYXCXMFKKPC-IUCAKERBSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CCC(F)(F)[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573755265 948760777 /nfs/dbraw/zinc/76/07/77/948760777.db2.gz NRIIYXCXMFKKPC-IUCAKERBSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@H](C(N)=O)N1CCC(F)(F)[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573755266 948759941 /nfs/dbraw/zinc/75/99/41/948759941.db2.gz NRIIYXCXMFKKPC-RKDXNWHRSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@H](C(N)=O)N1CCC(F)(F)[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573755266 948759932 /nfs/dbraw/zinc/75/99/32/948759932.db2.gz NRIIYXCXMFKKPC-RKDXNWHRSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CC(OC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573755277 948761186 /nfs/dbraw/zinc/76/11/86/948761186.db2.gz OAZGXJBCAUENKB-JTQLQIEISA-N -1 3 388.432 -0.626 20 0 GBADHM C[C@@H](C(N)=O)N1CC(OC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001573755277 948761169 /nfs/dbraw/zinc/76/11/69/948761169.db2.gz OAZGXJBCAUENKB-JTQLQIEISA-N -1 3 388.432 -0.626 20 0 GBADHM C[C@H](C(N)=O)N1CC(OC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)C1 ZINC001573755278 948761327 /nfs/dbraw/zinc/76/13/27/948761327.db2.gz OAZGXJBCAUENKB-SNVBAGLBSA-N -1 3 388.432 -0.626 20 0 GBADHM C[C@H](C(N)=O)N1CC(OC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)C1 ZINC001573755278 948761317 /nfs/dbraw/zinc/76/13/17/948761317.db2.gz OAZGXJBCAUENKB-SNVBAGLBSA-N -1 3 388.432 -0.626 20 0 GBADHM C[C@H](C(N)=O)N1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573755307 948760461 /nfs/dbraw/zinc/76/04/61/948760461.db2.gz ONGDPJPUKUXOQA-PSASIEDQSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@H](C(N)=O)N1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573755307 948760453 /nfs/dbraw/zinc/76/04/53/948760453.db2.gz ONGDPJPUKUXOQA-PSASIEDQSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@H](C(N)=O)N1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573755308 948759646 /nfs/dbraw/zinc/75/96/46/948759646.db2.gz ONGDPJPUKUXOQA-SCZZXKLOSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@H](C(N)=O)N1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573755308 948759634 /nfs/dbraw/zinc/75/96/34/948759634.db2.gz ONGDPJPUKUXOQA-SCZZXKLOSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573755309 948761261 /nfs/dbraw/zinc/76/12/61/948761261.db2.gz ONGDPJPUKUXOQA-WCBMZHEXSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CCC(F)(F)[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573755309 948761253 /nfs/dbraw/zinc/76/12/53/948761253.db2.gz ONGDPJPUKUXOQA-WCBMZHEXSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573755310 948761100 /nfs/dbraw/zinc/76/11/00/948761100.db2.gz ONGDPJPUKUXOQA-WPRPVWTQSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CCC(F)(F)[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573755310 948761087 /nfs/dbraw/zinc/76/10/87/948761087.db2.gz ONGDPJPUKUXOQA-WPRPVWTQSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)N1C(=O)CCC1=O ZINC001573755323 948759858 /nfs/dbraw/zinc/75/98/58/948759858.db2.gz OZNLDUMCYOTFEU-JTQLQIEISA-N -1 3 395.383 -0.018 20 0 GBADHM C[C@@H](C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)N1C(=O)CCC1=O ZINC001573755323 948759847 /nfs/dbraw/zinc/75/98/47/948759847.db2.gz OZNLDUMCYOTFEU-JTQLQIEISA-N -1 3 395.383 -0.018 20 0 GBADHM C[C@H](C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)N1C(=O)CCC1=O ZINC001573755324 948760503 /nfs/dbraw/zinc/76/05/03/948760503.db2.gz OZNLDUMCYOTFEU-SNVBAGLBSA-N -1 3 395.383 -0.018 20 0 GBADHM C[C@H](C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1)N1C(=O)CCC1=O ZINC001573755324 948760493 /nfs/dbraw/zinc/76/04/93/948760493.db2.gz OZNLDUMCYOTFEU-SNVBAGLBSA-N -1 3 395.383 -0.018 20 0 GBADHM C[C@H](C(N)=O)N1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573755681 948778836 /nfs/dbraw/zinc/77/88/36/948778836.db2.gz SHMPGPTWQCGHQR-PSASIEDQSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@H](C(N)=O)N1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573755681 948778827 /nfs/dbraw/zinc/77/88/27/948778827.db2.gz SHMPGPTWQCGHQR-PSASIEDQSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@H](C(N)=O)N1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573755682 948779591 /nfs/dbraw/zinc/77/95/91/948779591.db2.gz SHMPGPTWQCGHQR-SCZZXKLOSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@H](C(N)=O)N1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573755682 948779582 /nfs/dbraw/zinc/77/95/82/948779582.db2.gz SHMPGPTWQCGHQR-SCZZXKLOSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573755683 948779326 /nfs/dbraw/zinc/77/93/26/948779326.db2.gz SHMPGPTWQCGHQR-WCBMZHEXSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CCC(F)(F)[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573755683 948779315 /nfs/dbraw/zinc/77/93/15/948779315.db2.gz SHMPGPTWQCGHQR-WCBMZHEXSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573755684 948779825 /nfs/dbraw/zinc/77/98/25/948779825.db2.gz SHMPGPTWQCGHQR-WPRPVWTQSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@@H](C(N)=O)N1CCC(F)(F)[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573755684 948779810 /nfs/dbraw/zinc/77/98/10/948779810.db2.gz SHMPGPTWQCGHQR-WPRPVWTQSA-N -1 3 382.375 -0.244 20 0 GBADHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC(S(N)(=O)=O)C1 ZINC001573755972 948790497 /nfs/dbraw/zinc/79/04/97/948790497.db2.gz KLVWZYUNJXHNRI-SSDOTTSWSA-N -1 3 385.837 -0.180 20 0 GBADHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC(S(N)(=O)=O)C1 ZINC001573755972 948790484 /nfs/dbraw/zinc/79/04/84/948790484.db2.gz KLVWZYUNJXHNRI-SSDOTTSWSA-N -1 3 385.837 -0.180 20 0 GBADHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)N1CC(S(N)(=O)=O)C1 ZINC001573755973 948790310 /nfs/dbraw/zinc/79/03/10/948790310.db2.gz KLVWZYUNJXHNRI-ZETCQYMHSA-N -1 3 385.837 -0.180 20 0 GBADHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CC(S(N)(=O)=O)C1 ZINC001573755973 948790296 /nfs/dbraw/zinc/79/02/96/948790296.db2.gz KLVWZYUNJXHNRI-ZETCQYMHSA-N -1 3 385.837 -0.180 20 0 GBADHM C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)N1CCN(C)CC1 ZINC001573756428 948814114 /nfs/dbraw/zinc/81/41/14/948814114.db2.gz REULNPLYZBYGRO-LLVKDONJSA-N -1 3 390.452 -0.999 20 0 GBADHM C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)N1CCN(C)CC1 ZINC001573756428 948814093 /nfs/dbraw/zinc/81/40/93/948814093.db2.gz REULNPLYZBYGRO-LLVKDONJSA-N -1 3 390.452 -0.999 20 0 GBADHM C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nn[n-]n1)N1CCN(C)CC1 ZINC001573756429 948815928 /nfs/dbraw/zinc/81/59/28/948815928.db2.gz REULNPLYZBYGRO-NSHDSACASA-N -1 3 390.452 -0.999 20 0 GBADHM C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1-c1nnn[n-]1)N1CCN(C)CC1 ZINC001573756429 948815912 /nfs/dbraw/zinc/81/59/12/948815912.db2.gz REULNPLYZBYGRO-NSHDSACASA-N -1 3 390.452 -0.999 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001573757148 948828762 /nfs/dbraw/zinc/82/87/62/948828762.db2.gz XOTPETBBRCAEEQ-GWCFXTLKSA-N -1 3 392.445 -0.972 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001573757148 948828739 /nfs/dbraw/zinc/82/87/39/948828739.db2.gz XOTPETBBRCAEEQ-GWCFXTLKSA-N -1 3 392.445 -0.972 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001573757149 948829377 /nfs/dbraw/zinc/82/93/77/948829377.db2.gz XOTPETBBRCAEEQ-GXFFZTMASA-N -1 3 392.445 -0.972 20 0 GBADHM C[C@@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001573757149 948829359 /nfs/dbraw/zinc/82/93/59/948829359.db2.gz XOTPETBBRCAEEQ-GXFFZTMASA-N -1 3 392.445 -0.972 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001573757150 948827603 /nfs/dbraw/zinc/82/76/03/948827603.db2.gz XOTPETBBRCAEEQ-MFKMUULPSA-N -1 3 392.445 -0.972 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC001573757150 948827584 /nfs/dbraw/zinc/82/75/84/948827584.db2.gz XOTPETBBRCAEEQ-MFKMUULPSA-N -1 3 392.445 -0.972 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001573757151 948827830 /nfs/dbraw/zinc/82/78/30/948827830.db2.gz XOTPETBBRCAEEQ-ZWNOBZJWSA-N -1 3 392.445 -0.972 20 0 GBADHM C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC001573757151 948827813 /nfs/dbraw/zinc/82/78/13/948827813.db2.gz XOTPETBBRCAEEQ-ZWNOBZJWSA-N -1 3 392.445 -0.972 20 0 GBADHM CC(C)(C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)N1CCOCC1 ZINC001573761159 948835964 /nfs/dbraw/zinc/83/59/64/948835964.db2.gz FATBNCALJGNLOU-UHFFFAOYSA-N -1 3 388.432 -0.754 20 0 GBADHM CC(C)(C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)N1CCOCC1 ZINC001573761159 948835949 /nfs/dbraw/zinc/83/59/49/948835949.db2.gz FATBNCALJGNLOU-UHFFFAOYSA-N -1 3 388.432 -0.754 20 0 GBADHM CC(C)(C(=O)N1CC(NS(N)(=O)=O)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573761270 948837172 /nfs/dbraw/zinc/83/71/72/948837172.db2.gz FOQXGEOADVKBEB-UHFFFAOYSA-N -1 3 383.409 -0.713 20 0 GBADHM CC(C)(C(=O)N1CC(NS(N)(=O)=O)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573761270 948837156 /nfs/dbraw/zinc/83/71/56/948837156.db2.gz FOQXGEOADVKBEB-UHFFFAOYSA-N -1 3 383.409 -0.713 20 0 GBADHM CC(C)(C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)F ZINC001573761306 948840002 /nfs/dbraw/zinc/84/00/02/948840002.db2.gz GSPUYAIGBILQLF-UHFFFAOYSA-N -1 3 383.359 -0.211 20 0 GBADHM CC(C)(C(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)F ZINC001573761306 948839980 /nfs/dbraw/zinc/83/99/80/948839980.db2.gz GSPUYAIGBILQLF-UHFFFAOYSA-N -1 3 383.359 -0.211 20 0 GBADHM CC(C)(C(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)F ZINC001573761559 948843662 /nfs/dbraw/zinc/84/36/62/948843662.db2.gz JPAKMIFJBRYAFY-UHFFFAOYSA-N -1 3 383.359 -0.211 20 0 GBADHM CC(C)(C(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)F ZINC001573761559 948843640 /nfs/dbraw/zinc/84/36/40/948843640.db2.gz JPAKMIFJBRYAFY-UHFFFAOYSA-N -1 3 383.359 -0.211 20 0 GBADHM CC(C)(C(=O)N(CCO)CCNc1ccnc(-c2nn[n-]n2)n1)c1cnc[nH]1 ZINC001573761950 948849042 /nfs/dbraw/zinc/84/90/42/948849042.db2.gz MXYDOWVBNNTXJZ-UHFFFAOYSA-N -1 3 386.420 -0.988 20 0 GBADHM CC(C)(C(=O)N(CCO)CCNc1nccnc1-c1nn[n-]n1)c1cnc[nH]1 ZINC001573762045 948853123 /nfs/dbraw/zinc/85/31/23/948853123.db2.gz QGEIFANQLCEJHC-UHFFFAOYSA-N -1 3 386.420 -0.410 20 0 GBADHM CC(C)(C(=O)N(CCO)CCNc1nccnc1-c1nnn[n-]1)c1cnc[nH]1 ZINC001573762045 948853108 /nfs/dbraw/zinc/85/31/08/948853108.db2.gz QGEIFANQLCEJHC-UHFFFAOYSA-N -1 3 386.420 -0.410 20 0 GBADHM CC(C)(C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573762060 948853710 /nfs/dbraw/zinc/85/37/10/948853710.db2.gz QSUDFPHNSVYKNF-RYUDHWBXSA-N -1 3 389.391 -0.671 20 0 GBADHM CC(C)(C(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573762060 948853698 /nfs/dbraw/zinc/85/36/98/948853698.db2.gz QSUDFPHNSVYKNF-RYUDHWBXSA-N -1 3 389.391 -0.671 20 0 GBADHM CC(C)(C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573762061 948850719 /nfs/dbraw/zinc/85/07/19/948850719.db2.gz QSUDFPHNSVYKNF-TXEJJXNPSA-N -1 3 389.391 -0.671 20 0 GBADHM CC(C)(C(=O)N1C[C@H](C(N)=O)[C@H](C(N)=O)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573762061 948850705 /nfs/dbraw/zinc/85/07/05/948850705.db2.gz QSUDFPHNSVYKNF-TXEJJXNPSA-N -1 3 389.391 -0.671 20 0 GBADHM CC(C)(C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573762062 948853470 /nfs/dbraw/zinc/85/34/70/948853470.db2.gz QSUDFPHNSVYKNF-VXGBXAGGSA-N -1 3 389.391 -0.671 20 0 GBADHM CC(C)(C(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573762062 948853451 /nfs/dbraw/zinc/85/34/51/948853451.db2.gz QSUDFPHNSVYKNF-VXGBXAGGSA-N -1 3 389.391 -0.671 20 0 GBADHM CC(C)(C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)N1CCOCC1 ZINC001573762065 948853357 /nfs/dbraw/zinc/85/33/57/948853357.db2.gz QUUZCWPCVAJOSG-UHFFFAOYSA-N -1 3 388.432 -0.754 20 0 GBADHM CC(C)(C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)N1CCOCC1 ZINC001573762065 948853334 /nfs/dbraw/zinc/85/33/34/948853334.db2.gz QUUZCWPCVAJOSG-UHFFFAOYSA-N -1 3 388.432 -0.754 20 0 GBADHM CC(C)(C(=O)N(CCO)CCNc1cncc(-c2nn[n-]n2)n1)c1cnc[nH]1 ZINC001573762300 948851457 /nfs/dbraw/zinc/85/14/57/948851457.db2.gz SBLQWSUEWKAPRX-UHFFFAOYSA-N -1 3 386.420 -0.410 20 0 GBADHM CC(C)(C(=O)N(CCO)CCNc1cncc(-c2nnn[n-]2)n1)c1cnc[nH]1 ZINC001573762300 948851439 /nfs/dbraw/zinc/85/14/39/948851439.db2.gz SBLQWSUEWKAPRX-UHFFFAOYSA-N -1 3 386.420 -0.410 20 0 GBADHM CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)c1cnc[nH]1 ZINC001573762649 948857241 /nfs/dbraw/zinc/85/72/41/948857241.db2.gz WYTKZQNMIZAJAG-UHFFFAOYSA-N -1 3 386.420 -0.410 20 0 GBADHM CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)c1cnc[nH]1 ZINC001573762649 948857223 /nfs/dbraw/zinc/85/72/23/948857223.db2.gz WYTKZQNMIZAJAG-UHFFFAOYSA-N -1 3 386.420 -0.410 20 0 GBADHM CC(C)(C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)F ZINC001573762668 948858528 /nfs/dbraw/zinc/85/85/28/948858528.db2.gz XUGQRCJLHNCIBW-UHFFFAOYSA-N -1 3 383.359 -0.211 20 0 GBADHM CC(C)(C(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)F ZINC001573762668 948858504 /nfs/dbraw/zinc/85/85/04/948858504.db2.gz XUGQRCJLHNCIBW-UHFFFAOYSA-N -1 3 383.359 -0.211 20 0 GBADHM CC(C)(C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)N1CCOCC1 ZINC001573762716 948857760 /nfs/dbraw/zinc/85/77/60/948857760.db2.gz ZIPLBMVJTZXSOI-UHFFFAOYSA-N -1 3 388.432 -0.754 20 0 GBADHM CC(C)(C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)N1CCOCC1 ZINC001573762716 948857735 /nfs/dbraw/zinc/85/77/35/948857735.db2.gz ZIPLBMVJTZXSOI-UHFFFAOYSA-N -1 3 388.432 -0.754 20 0 GBADHM CC(C)(C(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)c1cnc[nH]1 ZINC001573762721 948859561 /nfs/dbraw/zinc/85/95/61/948859561.db2.gz ZNYRCNXNZCWEND-UHFFFAOYSA-N -1 3 386.420 -0.410 20 0 GBADHM CC(C)(C(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)c1cnc[nH]1 ZINC001573762721 948859542 /nfs/dbraw/zinc/85/95/42/948859542.db2.gz ZNYRCNXNZCWEND-UHFFFAOYSA-N -1 3 386.420 -0.410 20 0 GBADHM CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1)S(C)(=O)=O ZINC001573765525 948912399 /nfs/dbraw/zinc/91/23/99/948912399.db2.gz LNBKGYGSECSIPV-UHFFFAOYSA-N -1 3 379.446 -0.267 20 0 GBADHM CC(C)(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1)S(C)(=O)=O ZINC001573765525 948912391 /nfs/dbraw/zinc/91/23/91/948912391.db2.gz LNBKGYGSECSIPV-UHFFFAOYSA-N -1 3 379.446 -0.267 20 0 GBADHM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)C(F)F ZINC001573765729 948924791 /nfs/dbraw/zinc/92/47/91/948924791.db2.gz APBINMHHSGZKMH-NXEZZACHSA-N -1 3 383.359 -0.212 20 0 GBADHM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)C(F)F ZINC001573765729 948924769 /nfs/dbraw/zinc/92/47/69/948924769.db2.gz APBINMHHSGZKMH-NXEZZACHSA-N -1 3 383.359 -0.212 20 0 GBADHM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)C(F)F ZINC001573765777 948922468 /nfs/dbraw/zinc/92/24/68/948922468.db2.gz GCKRMLOOFZLGMP-NXEZZACHSA-N -1 3 383.359 -0.212 20 0 GBADHM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)C(F)F ZINC001573765777 948922454 /nfs/dbraw/zinc/92/24/54/948922454.db2.gz GCKRMLOOFZLGMP-NXEZZACHSA-N -1 3 383.359 -0.212 20 0 GBADHM CC(C)(C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1)C(F)F ZINC001573765778 948924903 /nfs/dbraw/zinc/92/49/03/948924903.db2.gz GCKRMLOOFZLGMP-ZJUUUORDSA-N -1 3 383.359 -0.212 20 0 GBADHM CC(C)(C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1)C(F)F ZINC001573765778 948924885 /nfs/dbraw/zinc/92/48/85/948924885.db2.gz GCKRMLOOFZLGMP-ZJUUUORDSA-N -1 3 383.359 -0.212 20 0 GBADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001573765858 948928013 /nfs/dbraw/zinc/92/80/13/948928013.db2.gz NYZQWRUFWYTUNS-QWRGUYRKSA-N -1 3 391.457 -0.126 20 0 GBADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001573765858 948927998 /nfs/dbraw/zinc/92/79/98/948927998.db2.gz NYZQWRUFWYTUNS-QWRGUYRKSA-N -1 3 391.457 -0.126 20 0 GBADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1)S(C)(=O)=O ZINC001573765868 948927230 /nfs/dbraw/zinc/92/72/30/948927230.db2.gz OQFUTWKPVJPXAA-RYUDHWBXSA-N -1 3 391.457 -0.126 20 0 GBADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1)S(C)(=O)=O ZINC001573765868 948927217 /nfs/dbraw/zinc/92/72/17/948927217.db2.gz OQFUTWKPVJPXAA-RYUDHWBXSA-N -1 3 391.457 -0.126 20 0 GBADHM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)C(F)F ZINC001573765971 948931605 /nfs/dbraw/zinc/93/16/05/948931605.db2.gz RUBAFOQSOGVGAY-NXEZZACHSA-N -1 3 383.359 -0.212 20 0 GBADHM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)C(F)F ZINC001573765971 948931592 /nfs/dbraw/zinc/93/15/92/948931592.db2.gz RUBAFOQSOGVGAY-NXEZZACHSA-N -1 3 383.359 -0.212 20 0 GBADHM CC(C)(C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1)C(F)F ZINC001573765975 948930390 /nfs/dbraw/zinc/93/03/90/948930390.db2.gz RUBAFOQSOGVGAY-ZJUUUORDSA-N -1 3 383.359 -0.212 20 0 GBADHM CC(C)(C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1)C(F)F ZINC001573765975 948930384 /nfs/dbraw/zinc/93/03/84/948930384.db2.gz RUBAFOQSOGVGAY-ZJUUUORDSA-N -1 3 383.359 -0.212 20 0 GBADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1)S(C)(=O)=O ZINC001573766043 948929717 /nfs/dbraw/zinc/92/97/17/948929717.db2.gz VLKAIBHAEJKVFC-RYUDHWBXSA-N -1 3 391.457 -0.126 20 0 GBADHM CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1)S(C)(=O)=O ZINC001573766043 948929700 /nfs/dbraw/zinc/92/97/00/948929700.db2.gz VLKAIBHAEJKVFC-RYUDHWBXSA-N -1 3 391.457 -0.126 20 0 GBADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573771183 948936452 /nfs/dbraw/zinc/93/64/52/948936452.db2.gz CRKUDKXQOWSHKI-MRVPVSSYSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573771183 948936435 /nfs/dbraw/zinc/93/64/35/948936435.db2.gz CRKUDKXQOWSHKI-MRVPVSSYSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573771184 948936096 /nfs/dbraw/zinc/93/60/96/948936096.db2.gz CRKUDKXQOWSHKI-QMMMGPOBSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573771184 948936087 /nfs/dbraw/zinc/93/60/87/948936087.db2.gz CRKUDKXQOWSHKI-QMMMGPOBSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573771625 948944861 /nfs/dbraw/zinc/94/48/61/948944861.db2.gz JNZLUKUQIRUUEG-SSDOTTSWSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573771625 948944850 /nfs/dbraw/zinc/94/48/50/948944850.db2.gz JNZLUKUQIRUUEG-SSDOTTSWSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573771626 948943985 /nfs/dbraw/zinc/94/39/85/948943985.db2.gz JNZLUKUQIRUUEG-ZETCQYMHSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573771626 948943970 /nfs/dbraw/zinc/94/39/70/948943970.db2.gz JNZLUKUQIRUUEG-ZETCQYMHSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573772051 948949986 /nfs/dbraw/zinc/94/99/86/948949986.db2.gz PLROKFCHKONDAH-MRVPVSSYSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573772051 948949968 /nfs/dbraw/zinc/94/99/68/948949968.db2.gz PLROKFCHKONDAH-MRVPVSSYSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573772052 948950857 /nfs/dbraw/zinc/95/08/57/948950857.db2.gz PLROKFCHKONDAH-QMMMGPOBSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573772052 948950845 /nfs/dbraw/zinc/95/08/45/948950845.db2.gz PLROKFCHKONDAH-QMMMGPOBSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)N1CCOCC1 ZINC001573772369 948958474 /nfs/dbraw/zinc/95/84/74/948958474.db2.gz AZXQMAQOPRTDLV-CYBMUJFWSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)N1CCOCC1 ZINC001573772369 948958468 /nfs/dbraw/zinc/95/84/68/948958468.db2.gz AZXQMAQOPRTDLV-CYBMUJFWSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)N1CCOCC1 ZINC001573772370 948959391 /nfs/dbraw/zinc/95/93/91/948959391.db2.gz AZXQMAQOPRTDLV-ZDUSSCGKSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1)N1CCOCC1 ZINC001573772370 948959377 /nfs/dbraw/zinc/95/93/77/948959377.db2.gz AZXQMAQOPRTDLV-ZDUSSCGKSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573772386 948959112 /nfs/dbraw/zinc/95/91/12/948959112.db2.gz BERWHJBBZBHLAQ-MRVPVSSYSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573772386 948959101 /nfs/dbraw/zinc/95/91/01/948959101.db2.gz BERWHJBBZBHLAQ-MRVPVSSYSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573772388 948957476 /nfs/dbraw/zinc/95/74/76/948957476.db2.gz BERWHJBBZBHLAQ-QMMMGPOBSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001573772388 948957461 /nfs/dbraw/zinc/95/74/61/948957461.db2.gz BERWHJBBZBHLAQ-QMMMGPOBSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573772726 948964500 /nfs/dbraw/zinc/96/45/00/948964500.db2.gz CHPLRMBLKKOKLK-UHFFFAOYSA-N -1 3 378.458 -0.010 20 0 GBADHM CC(C)(C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573772726 948964493 /nfs/dbraw/zinc/96/44/93/948964493.db2.gz CHPLRMBLKKOKLK-UHFFFAOYSA-N -1 3 378.458 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573773298 948980022 /nfs/dbraw/zinc/98/00/22/948980022.db2.gz JOVWJZUUUVBRSV-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573773298 948980008 /nfs/dbraw/zinc/98/00/08/948980008.db2.gz JOVWJZUUUVBRSV-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1)S(C)(=O)=O ZINC001573773299 948980532 /nfs/dbraw/zinc/98/05/32/948980532.db2.gz JOVWJZUUUVBRSV-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1)S(C)(=O)=O ZINC001573773299 948980520 /nfs/dbraw/zinc/98/05/20/948980520.db2.gz JOVWJZUUUVBRSV-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM CC(C)(C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)N1CCOCC1 ZINC001573773317 948981006 /nfs/dbraw/zinc/98/10/06/948981006.db2.gz KKSXOTYTCXNTAT-UHFFFAOYSA-N -1 3 388.432 -0.754 20 0 GBADHM CC(C)(C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)N1CCOCC1 ZINC001573773317 948980997 /nfs/dbraw/zinc/98/09/97/948980997.db2.gz KKSXOTYTCXNTAT-UHFFFAOYSA-N -1 3 388.432 -0.754 20 0 GBADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573773379 948983810 /nfs/dbraw/zinc/98/38/10/948983810.db2.gz LYCANUYITDXCKF-MRVPVSSYSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573773379 948983803 /nfs/dbraw/zinc/98/38/03/948983803.db2.gz LYCANUYITDXCKF-MRVPVSSYSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573773381 948983522 /nfs/dbraw/zinc/98/35/22/948983522.db2.gz LYCANUYITDXCKF-QMMMGPOBSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573773381 948983508 /nfs/dbraw/zinc/98/35/08/948983508.db2.gz LYCANUYITDXCKF-QMMMGPOBSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573773639 948989832 /nfs/dbraw/zinc/98/98/32/948989832.db2.gz OFQWTWQRDVUUOX-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM CC(C)(C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573773639 948989819 /nfs/dbraw/zinc/98/98/19/948989819.db2.gz OFQWTWQRDVUUOX-JTQLQIEISA-N -1 3 379.446 -0.220 20 0 GBADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1)S(C)(=O)=O ZINC001573773640 948989175 /nfs/dbraw/zinc/98/91/75/948989175.db2.gz OFQWTWQRDVUUOX-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM CC(C)(C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1)S(C)(=O)=O ZINC001573773640 948989169 /nfs/dbraw/zinc/98/91/69/948989169.db2.gz OFQWTWQRDVUUOX-SNVBAGLBSA-N -1 3 379.446 -0.220 20 0 GBADHM CC(C)(C(=O)NC[C@@H](O)CS(C)(=O)=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573773986 948997670 /nfs/dbraw/zinc/99/76/70/948997670.db2.gz HLYLPACHDGBSJP-GFCCVEGCSA-N -1 3 385.421 -0.195 20 0 GBADHM CC(C)(C(=O)NC[C@@H](O)CS(C)(=O)=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573773986 948997657 /nfs/dbraw/zinc/99/76/57/948997657.db2.gz HLYLPACHDGBSJP-GFCCVEGCSA-N -1 3 385.421 -0.195 20 0 GBADHM CC(C)(C(=O)NC[C@H](O)CS(C)(=O)=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001573773987 948997706 /nfs/dbraw/zinc/99/77/06/948997706.db2.gz HLYLPACHDGBSJP-LBPRGKRZSA-N -1 3 385.421 -0.195 20 0 GBADHM CC(C)(C(=O)NC[C@H](O)CS(C)(=O)=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001573773987 948997695 /nfs/dbraw/zinc/99/76/95/948997695.db2.gz HLYLPACHDGBSJP-LBPRGKRZSA-N -1 3 385.421 -0.195 20 0 GBADHM CC(C)(C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)N1CCOCC1 ZINC001573774033 948996688 /nfs/dbraw/zinc/99/66/88/948996688.db2.gz PIMCNNDFJCUDEO-UHFFFAOYSA-N -1 3 388.432 -0.754 20 0 GBADHM CC(C)(C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)N1CCOCC1 ZINC001573774033 948996676 /nfs/dbraw/zinc/99/66/76/948996676.db2.gz PIMCNNDFJCUDEO-UHFFFAOYSA-N -1 3 388.432 -0.754 20 0 GBADHM CC(C)(C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1)N1CCOCC1 ZINC001573774076 948999793 /nfs/dbraw/zinc/99/97/93/948999793.db2.gz JWMNOJFSOPALDG-GFCCVEGCSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1)N1CCOCC1 ZINC001573774076 948999788 /nfs/dbraw/zinc/99/97/88/948999788.db2.gz JWMNOJFSOPALDG-GFCCVEGCSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1)N1CCOCC1 ZINC001573774078 949000181 /nfs/dbraw/zinc/00/01/81/949000181.db2.gz JWMNOJFSOPALDG-LBPRGKRZSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1)N1CCOCC1 ZINC001573774078 949000163 /nfs/dbraw/zinc/00/01/63/949000163.db2.gz JWMNOJFSOPALDG-LBPRGKRZSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573774146 949006205 /nfs/dbraw/zinc/00/62/05/949006205.db2.gz RKXISNGHYDLQPY-LLVKDONJSA-N -1 3 379.446 -0.220 20 0 GBADHM CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573774146 949006189 /nfs/dbraw/zinc/00/61/89/949006189.db2.gz RKXISNGHYDLQPY-LLVKDONJSA-N -1 3 379.446 -0.220 20 0 GBADHM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1)S(C)(=O)=O ZINC001573774147 949002420 /nfs/dbraw/zinc/00/24/20/949002420.db2.gz RKXISNGHYDLQPY-NSHDSACASA-N -1 3 379.446 -0.220 20 0 GBADHM CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1)S(C)(=O)=O ZINC001573774147 949002401 /nfs/dbraw/zinc/00/24/01/949002401.db2.gz RKXISNGHYDLQPY-NSHDSACASA-N -1 3 379.446 -0.220 20 0 GBADHM CC(C)(C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573774380 949007814 /nfs/dbraw/zinc/00/78/14/949007814.db2.gz NMZUIYDYUGKBFX-MRVPVSSYSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573774380 949007804 /nfs/dbraw/zinc/00/78/04/949007804.db2.gz NMZUIYDYUGKBFX-MRVPVSSYSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001573774384 949008916 /nfs/dbraw/zinc/00/89/16/949008916.db2.gz NMZUIYDYUGKBFX-QMMMGPOBSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001573774384 949008900 /nfs/dbraw/zinc/00/89/00/949008900.db2.gz NMZUIYDYUGKBFX-QMMMGPOBSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1)S(C)(=O)=O ZINC001573774887 949025164 /nfs/dbraw/zinc/02/51/64/949025164.db2.gz YAWICXXRICWEFM-UHFFFAOYSA-N -1 3 378.458 -0.010 20 0 GBADHM CC(C)(C(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1)S(C)(=O)=O ZINC001573774887 949025146 /nfs/dbraw/zinc/02/51/46/949025146.db2.gz YAWICXXRICWEFM-UHFFFAOYSA-N -1 3 378.458 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1)N1CCOCC1 ZINC001573774974 949028020 /nfs/dbraw/zinc/02/80/20/949028020.db2.gz QQFPSOLRAWIFFX-GFCCVEGCSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1)N1CCOCC1 ZINC001573774974 949028003 /nfs/dbraw/zinc/02/80/03/949028003.db2.gz QQFPSOLRAWIFFX-GFCCVEGCSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1)N1CCOCC1 ZINC001573774975 949026007 /nfs/dbraw/zinc/02/60/07/949026007.db2.gz QQFPSOLRAWIFFX-LBPRGKRZSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1)N1CCOCC1 ZINC001573774975 949025988 /nfs/dbraw/zinc/02/59/88/949025988.db2.gz QQFPSOLRAWIFFX-LBPRGKRZSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)N1CCOCC1 ZINC001573775043 949031251 /nfs/dbraw/zinc/03/12/51/949031251.db2.gz SJUQHYZNJARKIU-CYBMUJFWSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1)N1CCOCC1 ZINC001573775043 949031231 /nfs/dbraw/zinc/03/12/31/949031231.db2.gz SJUQHYZNJARKIU-CYBMUJFWSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1)N1CCOCC1 ZINC001573775044 949030583 /nfs/dbraw/zinc/03/05/83/949030583.db2.gz SJUQHYZNJARKIU-ZDUSSCGKSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1)N1CCOCC1 ZINC001573775044 949030562 /nfs/dbraw/zinc/03/05/62/949030562.db2.gz SJUQHYZNJARKIU-ZDUSSCGKSA-N -1 3 390.448 -0.739 20 0 GBADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573775073 949030438 /nfs/dbraw/zinc/03/04/38/949030438.db2.gz YSJVHUNMBBLUPK-SSDOTTSWSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573775073 949030416 /nfs/dbraw/zinc/03/04/16/949030416.db2.gz YSJVHUNMBBLUPK-SSDOTTSWSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001573775074 949031128 /nfs/dbraw/zinc/03/11/28/949031128.db2.gz YSJVHUNMBBLUPK-ZETCQYMHSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001573775074 949031110 /nfs/dbraw/zinc/03/11/10/949031110.db2.gz YSJVHUNMBBLUPK-ZETCQYMHSA-N -1 3 389.338 -0.010 20 0 GBADHM CC(C)(C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001573775439 949038894 /nfs/dbraw/zinc/03/88/94/949038894.db2.gz WPFVKMWLVDWCRG-MRVPVSSYSA-N -1 3 389.338 -0.010 20 0 GBADHM 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CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21)c1c[nH]cn1 ZINC001573787620 949188323 /nfs/dbraw/zinc/18/83/23/949188323.db2.gz ZMGQHIWSOFCMEJ-MSRIBSCDSA-N -1 3 380.416 -0.092 20 0 GBADHM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)c1c[nH]cn1 ZINC001573787624 949187222 /nfs/dbraw/zinc/18/72/22/949187222.db2.gz ZWYPHJXAGFKADZ-MSRIBSCDSA-N -1 3 380.416 -0.092 20 0 GBADHM CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nnn[n-]4)cn3)C[C@H]21)c1c[nH]cn1 ZINC001573787624 949187213 /nfs/dbraw/zinc/18/72/13/949187213.db2.gz ZWYPHJXAGFKADZ-MSRIBSCDSA-N -1 3 380.416 -0.092 20 0 GBADHM CC(C)(C(N)=O)N1CCN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573788062 949190839 /nfs/dbraw/zinc/19/08/39/949190839.db2.gz FSNTZIBHUITVAF-UHFFFAOYSA-N -1 3 378.824 -0.063 20 0 GBADHM CC(C)(C(N)=O)N1CCN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573788062 949190826 /nfs/dbraw/zinc/19/08/26/949190826.db2.gz FSNTZIBHUITVAF-UHFFFAOYSA-N -1 3 378.824 -0.063 20 0 GBADHM CC(C)(C(N)=O)N1CCN(S(=O)(=O)Cc2csc(-c3nnn[n-]3)c2)CC1 ZINC001573788076 949190790 /nfs/dbraw/zinc/19/07/90/949190790.db2.gz GEYJGEVBTPZZEZ-UHFFFAOYSA-N -1 3 399.502 -0.361 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573788242 949195764 /nfs/dbraw/zinc/19/57/64/949195764.db2.gz JEAGJZMYDWJVLW-LLVKDONJSA-N -1 3 388.432 -0.183 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573788242 949195753 /nfs/dbraw/zinc/19/57/53/949195753.db2.gz JEAGJZMYDWJVLW-LLVKDONJSA-N -1 3 388.432 -0.183 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573788244 949194629 /nfs/dbraw/zinc/19/46/29/949194629.db2.gz JEAGJZMYDWJVLW-NSHDSACASA-N -1 3 388.432 -0.183 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573788244 949194614 /nfs/dbraw/zinc/19/46/14/949194614.db2.gz JEAGJZMYDWJVLW-NSHDSACASA-N -1 3 388.432 -0.183 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1(C)C ZINC001573788249 949194286 /nfs/dbraw/zinc/19/42/86/949194286.db2.gz JFFDPNFMZJDZSP-LLVKDONJSA-N -1 3 388.432 -0.327 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1(C)C ZINC001573788249 949194264 /nfs/dbraw/zinc/19/42/64/949194264.db2.gz JFFDPNFMZJDZSP-LLVKDONJSA-N -1 3 388.432 -0.327 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1(C)C ZINC001573788250 949195370 /nfs/dbraw/zinc/19/53/70/949195370.db2.gz JFFDPNFMZJDZSP-NSHDSACASA-N -1 3 388.432 -0.327 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1(C)C ZINC001573788250 949195360 /nfs/dbraw/zinc/19/53/60/949195360.db2.gz JFFDPNFMZJDZSP-NSHDSACASA-N -1 3 388.432 -0.327 20 0 GBADHM CC(C)(C(N)=O)C(=O)NC1(CCO)CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001573788266 949196097 /nfs/dbraw/zinc/19/60/97/949196097.db2.gz JOMWUKJDSHCCCH-UHFFFAOYSA-N -1 3 387.444 -0.569 20 0 GBADHM CC(C)(C(N)=O)C(=O)NC1(CCO)CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001573788266 949196089 /nfs/dbraw/zinc/19/60/89/949196089.db2.gz JOMWUKJDSHCCCH-UHFFFAOYSA-N -1 3 387.444 -0.569 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573788573 949200542 /nfs/dbraw/zinc/20/05/42/949200542.db2.gz NGNIBRAAIFMMAU-LLVKDONJSA-N -1 3 388.432 -0.183 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1CCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573788573 949200520 /nfs/dbraw/zinc/20/05/20/949200520.db2.gz NGNIBRAAIFMMAU-LLVKDONJSA-N -1 3 388.432 -0.183 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573788574 949200962 /nfs/dbraw/zinc/20/09/62/949200962.db2.gz NGNIBRAAIFMMAU-NSHDSACASA-N -1 3 388.432 -0.183 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1CCCC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573788574 949200943 /nfs/dbraw/zinc/20/09/43/949200943.db2.gz NGNIBRAAIFMMAU-NSHDSACASA-N -1 3 388.432 -0.183 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573788605 949203634 /nfs/dbraw/zinc/20/36/34/949203634.db2.gz OURKPFDDSUYFPO-JOYOIKCWSA-N -1 3 386.416 -0.621 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573788605 949203617 /nfs/dbraw/zinc/20/36/17/949203617.db2.gz OURKPFDDSUYFPO-JOYOIKCWSA-N -1 3 386.416 -0.621 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573788643 949205174 /nfs/dbraw/zinc/20/51/74/949205174.db2.gz QMMPLEGGHXURAF-LLVKDONJSA-N -1 3 388.432 -0.327 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573788643 949205155 /nfs/dbraw/zinc/20/51/55/949205155.db2.gz QMMPLEGGHXURAF-LLVKDONJSA-N -1 3 388.432 -0.327 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1(C)C ZINC001573788644 949202916 /nfs/dbraw/zinc/20/29/16/949202916.db2.gz QMMPLEGGHXURAF-NSHDSACASA-N -1 3 388.432 -0.327 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1(C)C ZINC001573788644 949202895 /nfs/dbraw/zinc/20/28/95/949202895.db2.gz QMMPLEGGHXURAF-NSHDSACASA-N -1 3 388.432 -0.327 20 0 GBADHM CC(C)(C(N)=O)C(=O)NC[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573788677 949202773 /nfs/dbraw/zinc/20/27/73/949202773.db2.gz SFKMDMWKVFYVSU-AWEZNQCLSA-N -1 3 387.444 -0.305 20 0 GBADHM CC(C)(C(N)=O)C(=O)NC[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573788677 949202756 /nfs/dbraw/zinc/20/27/56/949202756.db2.gz SFKMDMWKVFYVSU-AWEZNQCLSA-N -1 3 387.444 -0.305 20 0 GBADHM CC(C)(C(N)=O)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001573788678 949203145 /nfs/dbraw/zinc/20/31/45/949203145.db2.gz SFKMDMWKVFYVSU-CQSZACIVSA-N -1 3 387.444 -0.305 20 0 GBADHM CC(C)(C(N)=O)C(=O)NC[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001573788678 949203124 /nfs/dbraw/zinc/20/31/24/949203124.db2.gz SFKMDMWKVFYVSU-CQSZACIVSA-N -1 3 387.444 -0.305 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O ZINC001573788734 949211252 /nfs/dbraw/zinc/21/12/52/949211252.db2.gz VIFNPHFVHOVAKS-KOLCDFICSA-N -1 3 377.380 -0.817 20 0 GBADHM CC(C)(C(N)=O)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O ZINC001573788734 949211237 /nfs/dbraw/zinc/21/12/37/949211237.db2.gz VIFNPHFVHOVAKS-KOLCDFICSA-N -1 3 377.380 -0.817 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1CC=C(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573788774 949213467 /nfs/dbraw/zinc/21/34/67/949213467.db2.gz XCSILKZRPUTCLD-UHFFFAOYSA-N -1 3 386.416 -0.405 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1CC=C(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573788774 949213443 /nfs/dbraw/zinc/21/34/43/949213443.db2.gz XCSILKZRPUTCLD-UHFFFAOYSA-N -1 3 386.416 -0.405 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001573788784 949213033 /nfs/dbraw/zinc/21/30/33/949213033.db2.gz XORYJJWEPLLIMA-UHFFFAOYSA-N -1 3 386.416 -0.619 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1CC2(C1)CCN(C(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001573788784 949213006 /nfs/dbraw/zinc/21/30/06/949213006.db2.gz XORYJJWEPLLIMA-UHFFFAOYSA-N -1 3 386.416 -0.619 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573788814 949214091 /nfs/dbraw/zinc/21/40/91/949214091.db2.gz YQTZBRTYPHGDAX-LLVKDONJSA-N -1 3 388.432 -0.327 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573788814 949214070 /nfs/dbraw/zinc/21/40/70/949214070.db2.gz YQTZBRTYPHGDAX-LLVKDONJSA-N -1 3 388.432 -0.327 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C(C)(C)C1 ZINC001573788815 949215786 /nfs/dbraw/zinc/21/57/86/949215786.db2.gz YQTZBRTYPHGDAX-NSHDSACASA-N -1 3 388.432 -0.327 20 0 GBADHM CC(C)(C(N)=O)C(=O)N1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C(C)(C)C1 ZINC001573788815 949215766 /nfs/dbraw/zinc/21/57/66/949215766.db2.gz YQTZBRTYPHGDAX-NSHDSACASA-N -1 3 388.432 -0.327 20 0 GBADHM CC(C)(C)C(=O)C(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573792581 949255125 /nfs/dbraw/zinc/25/51/25/949255125.db2.gz AZXXWDUPGCJTJP-UHFFFAOYSA-N -1 3 375.389 -0.887 20 0 GBADHM CC(C)(C)C(=O)C(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573792581 949255103 /nfs/dbraw/zinc/25/51/03/949255103.db2.gz AZXXWDUPGCJTJP-UHFFFAOYSA-N -1 3 375.389 -0.887 20 0 GBADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573793001 949278472 /nfs/dbraw/zinc/27/84/72/949278472.db2.gz HXNJBIJZGROQQY-LLVKDONJSA-N -1 3 389.416 -0.233 20 0 GBADHM CC(C)(C)C(=O)C(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573793001 949278454 /nfs/dbraw/zinc/27/84/54/949278454.db2.gz HXNJBIJZGROQQY-LLVKDONJSA-N -1 3 389.416 -0.233 20 0 GBADHM CC(C)(C)C(=O)C(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573793002 949279871 /nfs/dbraw/zinc/27/98/71/949279871.db2.gz HXNJBIJZGROQQY-NSHDSACASA-N -1 3 389.416 -0.233 20 0 GBADHM CC(C)(C)C(=O)C(=O)NC[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573793002 949279847 /nfs/dbraw/zinc/27/98/47/949279847.db2.gz HXNJBIJZGROQQY-NSHDSACASA-N -1 3 389.416 -0.233 20 0 GBADHM CC(C)(C)C(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573793047 949281579 /nfs/dbraw/zinc/28/15/79/949281579.db2.gz JAINXWQAPFMEHX-GHMZBOCLSA-N -1 3 375.389 -0.889 20 0 GBADHM CC(C)(C)C(=O)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573793047 949281570 /nfs/dbraw/zinc/28/15/70/949281570.db2.gz JAINXWQAPFMEHX-GHMZBOCLSA-N -1 3 375.389 -0.889 20 0 GBADHM CC(C)(C)C(=O)C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573793142 949286186 /nfs/dbraw/zinc/28/61/86/949286186.db2.gz MLZJJSALMPOAPN-LLVKDONJSA-N -1 3 389.416 -0.233 20 0 GBADHM CC(C)(C)C(=O)C(=O)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573793142 949286169 /nfs/dbraw/zinc/28/61/69/949286169.db2.gz MLZJJSALMPOAPN-LLVKDONJSA-N -1 3 389.416 -0.233 20 0 GBADHM CC(C)(C)C(=O)C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573793143 949287352 /nfs/dbraw/zinc/28/73/52/949287352.db2.gz MLZJJSALMPOAPN-NSHDSACASA-N -1 3 389.416 -0.233 20 0 GBADHM CC(C)(C)C(=O)C(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573793143 949287330 /nfs/dbraw/zinc/28/73/30/949287330.db2.gz MLZJJSALMPOAPN-NSHDSACASA-N -1 3 389.416 -0.233 20 0 GBADHM CC(C)(C)C(=O)C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001573793556 949301989 /nfs/dbraw/zinc/30/19/89/949301989.db2.gz UWBDJNJZHMLUNZ-CMPLNLGQSA-N -1 3 389.416 -0.498 20 0 GBADHM CC(C)(C)C(=O)C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001573793556 949301964 /nfs/dbraw/zinc/30/19/64/949301964.db2.gz UWBDJNJZHMLUNZ-CMPLNLGQSA-N -1 3 389.416 -0.498 20 0 GBADHM CC(C)(C)C(=O)C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001573793557 949303533 /nfs/dbraw/zinc/30/35/33/949303533.db2.gz UWBDJNJZHMLUNZ-JQWIXIFHSA-N -1 3 389.416 -0.498 20 0 GBADHM CC(C)(C)C(=O)C(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001573793557 949303511 /nfs/dbraw/zinc/30/35/11/949303511.db2.gz UWBDJNJZHMLUNZ-JQWIXIFHSA-N -1 3 389.416 -0.498 20 0 GBADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001573793558 949301363 /nfs/dbraw/zinc/30/13/63/949301363.db2.gz UWBDJNJZHMLUNZ-PWSUYJOCSA-N -1 3 389.416 -0.498 20 0 GBADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001573793558 949301345 /nfs/dbraw/zinc/30/13/45/949301345.db2.gz UWBDJNJZHMLUNZ-PWSUYJOCSA-N -1 3 389.416 -0.498 20 0 GBADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001573793559 949302197 /nfs/dbraw/zinc/30/21/97/949302197.db2.gz UWBDJNJZHMLUNZ-ZYHUDNBSSA-N -1 3 389.416 -0.498 20 0 GBADHM CC(C)(C)C(=O)C(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001573793559 949302163 /nfs/dbraw/zinc/30/21/63/949302163.db2.gz UWBDJNJZHMLUNZ-ZYHUDNBSSA-N -1 3 389.416 -0.498 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573798333 949346846 /nfs/dbraw/zinc/34/68/46/949346846.db2.gz ADMACBBWUXKDTQ-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573798333 949346828 /nfs/dbraw/zinc/34/68/28/949346828.db2.gz ADMACBBWUXKDTQ-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573798335 949346445 /nfs/dbraw/zinc/34/64/45/949346445.db2.gz ADMACBBWUXKDTQ-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573798335 949346421 /nfs/dbraw/zinc/34/64/21/949346421.db2.gz ADMACBBWUXKDTQ-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573798370 949346577 /nfs/dbraw/zinc/34/65/77/949346577.db2.gz ANQNCDHGQWLXJM-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573798370 949346556 /nfs/dbraw/zinc/34/65/56/949346556.db2.gz ANQNCDHGQWLXJM-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573798747 949353132 /nfs/dbraw/zinc/35/31/32/949353132.db2.gz DQKWTRDJFHHLOZ-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573798747 949353111 /nfs/dbraw/zinc/35/31/11/949353111.db2.gz DQKWTRDJFHHLOZ-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573798748 949354077 /nfs/dbraw/zinc/35/40/77/949354077.db2.gz DRUDMEIJKORXIU-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573798748 949354053 /nfs/dbraw/zinc/35/40/53/949354053.db2.gz DRUDMEIJKORXIU-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573798803 949360226 /nfs/dbraw/zinc/36/02/26/949360226.db2.gz HBCYMUHKRVVZCW-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573798803 949360204 /nfs/dbraw/zinc/36/02/04/949360204.db2.gz HBCYMUHKRVVZCW-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573798811 949361341 /nfs/dbraw/zinc/36/13/41/949361341.db2.gz HJKHYXKBAWPIDZ-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573798811 949361319 /nfs/dbraw/zinc/36/13/19/949361319.db2.gz HJKHYXKBAWPIDZ-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573798813 949359910 /nfs/dbraw/zinc/35/99/10/949359910.db2.gz HJKHYXKBAWPIDZ-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573798813 949359890 /nfs/dbraw/zinc/35/98/90/949359890.db2.gz HJKHYXKBAWPIDZ-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573799051 949361974 /nfs/dbraw/zinc/36/19/74/949361974.db2.gz JFSFJSKVDDKUBN-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573799051 949361957 /nfs/dbraw/zinc/36/19/57/949361957.db2.gz JFSFJSKVDDKUBN-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573799052 949364413 /nfs/dbraw/zinc/36/44/13/949364413.db2.gz JFSFJSKVDDKUBN-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573799052 949364386 /nfs/dbraw/zinc/36/43/86/949364386.db2.gz JFSFJSKVDDKUBN-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573799114 949364972 /nfs/dbraw/zinc/36/49/72/949364972.db2.gz KIALDFGMUOMRLG-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573799114 949364954 /nfs/dbraw/zinc/36/49/54/949364954.db2.gz KIALDFGMUOMRLG-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001573799149 949371872 /nfs/dbraw/zinc/37/18/72/949371872.db2.gz KRHRVEDTBMXOAJ-UHFFFAOYSA-N -1 3 390.448 -0.343 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001573799149 949371863 /nfs/dbraw/zinc/37/18/63/949371863.db2.gz KRHRVEDTBMXOAJ-UHFFFAOYSA-N -1 3 390.448 -0.343 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573799322 949371350 /nfs/dbraw/zinc/37/13/50/949371350.db2.gz LDAXWPOFNQBNBO-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573799322 949371331 /nfs/dbraw/zinc/37/13/31/949371331.db2.gz LDAXWPOFNQBNBO-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573799323 949368748 /nfs/dbraw/zinc/36/87/48/949368748.db2.gz LDAXWPOFNQBNBO-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573799323 949368727 /nfs/dbraw/zinc/36/87/27/949368727.db2.gz LDAXWPOFNQBNBO-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)cn1 ZINC001573799380 949371286 /nfs/dbraw/zinc/37/12/86/949371286.db2.gz LWKAYKSQTVWTMG-UHFFFAOYSA-N -1 3 390.448 -0.343 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)cn1 ZINC001573799380 949371263 /nfs/dbraw/zinc/37/12/63/949371263.db2.gz LWKAYKSQTVWTMG-UHFFFAOYSA-N -1 3 390.448 -0.343 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573799463 949372951 /nfs/dbraw/zinc/37/29/51/949372951.db2.gz MXCUPSJQAYOMAV-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573799463 949372934 /nfs/dbraw/zinc/37/29/34/949372934.db2.gz MXCUPSJQAYOMAV-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573799676 949377240 /nfs/dbraw/zinc/37/72/40/949377240.db2.gz PHTVIOFDLCZPPQ-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573799676 949377217 /nfs/dbraw/zinc/37/72/17/949377217.db2.gz PHTVIOFDLCZPPQ-UHFFFAOYSA-N -1 3 388.432 -0.359 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573799677 949377042 /nfs/dbraw/zinc/37/70/42/949377042.db2.gz PHWKLTWWZJAVAK-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573799677 949377014 /nfs/dbraw/zinc/37/70/14/949377014.db2.gz PHWKLTWWZJAVAK-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573799678 949378578 /nfs/dbraw/zinc/37/85/78/949378578.db2.gz PHWKLTWWZJAVAK-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573799678 949378559 /nfs/dbraw/zinc/37/85/59/949378559.db2.gz PHWKLTWWZJAVAK-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573799726 949378706 /nfs/dbraw/zinc/37/87/06/949378706.db2.gz QNUYEOCVFHTGTO-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573799726 949378685 /nfs/dbraw/zinc/37/86/85/949378685.db2.gz QNUYEOCVFHTGTO-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573799727 949380465 /nfs/dbraw/zinc/38/04/65/949380465.db2.gz QNUYEOCVFHTGTO-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573799727 949380443 /nfs/dbraw/zinc/38/04/43/949380443.db2.gz QNUYEOCVFHTGTO-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573799925 949377686 /nfs/dbraw/zinc/37/76/86/949377686.db2.gz QZUNUPBEJSHDIG-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573799925 949377666 /nfs/dbraw/zinc/37/76/66/949377666.db2.gz QZUNUPBEJSHDIG-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573799926 949380936 /nfs/dbraw/zinc/38/09/36/949380936.db2.gz QZUNUPBEJSHDIG-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573799926 949380915 /nfs/dbraw/zinc/38/09/15/949380915.db2.gz QZUNUPBEJSHDIG-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573799987 949384405 /nfs/dbraw/zinc/38/44/05/949384405.db2.gz SRQLVTMHKUGJRS-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573799987 949384375 /nfs/dbraw/zinc/38/43/75/949384375.db2.gz SRQLVTMHKUGJRS-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1ncccc1-c1nn[n-]n1 ZINC001573800297 949390245 /nfs/dbraw/zinc/39/02/45/949390245.db2.gz XBSIKFUGJXKWPE-UHFFFAOYSA-N -1 3 390.448 -0.343 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N(CCO)CCNc1ncccc1-c1nnn[n-]1 ZINC001573800297 949390232 /nfs/dbraw/zinc/39/02/32/949390232.db2.gz XBSIKFUGJXKWPE-UHFFFAOYSA-N -1 3 390.448 -0.343 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573800298 949388319 /nfs/dbraw/zinc/38/83/19/949388319.db2.gz XCVGUTNINILLSD-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573800298 949388298 /nfs/dbraw/zinc/38/82/98/949388298.db2.gz XCVGUTNINILLSD-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573800299 949387751 /nfs/dbraw/zinc/38/77/51/949387751.db2.gz XCVGUTNINILLSD-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573800299 949387723 /nfs/dbraw/zinc/38/77/23/949387723.db2.gz XCVGUTNINILLSD-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573800514 949395116 /nfs/dbraw/zinc/39/51/16/949395116.db2.gz XWAZYQQWWPEJTH-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573800514 949395097 /nfs/dbraw/zinc/39/50/97/949395097.db2.gz XWAZYQQWWPEJTH-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573800515 949396757 /nfs/dbraw/zinc/39/67/57/949396757.db2.gz XWAZYQQWWPEJTH-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573800515 949396738 /nfs/dbraw/zinc/39/67/38/949396738.db2.gz XWAZYQQWWPEJTH-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573800579 949396819 /nfs/dbraw/zinc/39/68/19/949396819.db2.gz YZLOOECFYGNUTJ-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573800579 949396800 /nfs/dbraw/zinc/39/68/00/949396800.db2.gz YZLOOECFYGNUTJ-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573801491 949398273 /nfs/dbraw/zinc/39/82/73/949398273.db2.gz AQZDDXLIJTXHBK-AOOOYVTPSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573801491 949398250 /nfs/dbraw/zinc/39/82/50/949398250.db2.gz AQZDDXLIJTXHBK-AOOOYVTPSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573801496 949397769 /nfs/dbraw/zinc/39/77/69/949397769.db2.gz AQZDDXLIJTXHBK-MGCOHNPYSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573801496 949397751 /nfs/dbraw/zinc/39/77/51/949397751.db2.gz AQZDDXLIJTXHBK-MGCOHNPYSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001573801640 949403328 /nfs/dbraw/zinc/40/33/28/949403328.db2.gz BHCHRYRPIAJKBF-IMRBUKKESA-N -1 3 384.444 -0.025 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001573801640 949403321 /nfs/dbraw/zinc/40/33/21/949403321.db2.gz BHCHRYRPIAJKBF-IMRBUKKESA-N -1 3 384.444 -0.025 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573802011 949409098 /nfs/dbraw/zinc/40/90/98/949409098.db2.gz BSCYMMHYAAVODS-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573802011 949409088 /nfs/dbraw/zinc/40/90/88/949409088.db2.gz BSCYMMHYAAVODS-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573802013 949407494 /nfs/dbraw/zinc/40/74/94/949407494.db2.gz BTGFYPBDPVNIPM-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573802013 949407479 /nfs/dbraw/zinc/40/74/79/949407479.db2.gz BTGFYPBDPVNIPM-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001573802135 949411932 /nfs/dbraw/zinc/41/19/32/949411932.db2.gz DIJZXZNMUXFRAN-JYAVWHMHSA-N -1 3 384.444 -0.025 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001573802135 949411921 /nfs/dbraw/zinc/41/19/21/949411921.db2.gz DIJZXZNMUXFRAN-JYAVWHMHSA-N -1 3 384.444 -0.025 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NCC1(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573802138 949412129 /nfs/dbraw/zinc/41/21/29/949412129.db2.gz DQNZRUFNQWJINY-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NCC1(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573802138 949412109 /nfs/dbraw/zinc/41/21/09/949412109.db2.gz DQNZRUFNQWJINY-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573802159 949413363 /nfs/dbraw/zinc/41/33/63/949413363.db2.gz FHJQMXJNCSHKAW-PHIMTYICSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573802159 949413353 /nfs/dbraw/zinc/41/33/53/949413353.db2.gz FHJQMXJNCSHKAW-PHIMTYICSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573802169 949413577 /nfs/dbraw/zinc/41/35/77/949413577.db2.gz FOLQWEDMKJLUBP-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573802169 949413568 /nfs/dbraw/zinc/41/35/68/949413568.db2.gz FOLQWEDMKJLUBP-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573802170 949413441 /nfs/dbraw/zinc/41/34/41/949413441.db2.gz FOLQWEDMKJLUBP-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573802170 949413429 /nfs/dbraw/zinc/41/34/29/949413429.db2.gz FOLQWEDMKJLUBP-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1O ZINC001573802176 949411641 /nfs/dbraw/zinc/41/16/41/949411641.db2.gz FWOZTIVWEZURSC-CHWSQXEVSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1O ZINC001573802176 949411633 /nfs/dbraw/zinc/41/16/33/949411633.db2.gz FWOZTIVWEZURSC-CHWSQXEVSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O ZINC001573802177 949411888 /nfs/dbraw/zinc/41/18/88/949411888.db2.gz FWOZTIVWEZURSC-OLZOCXBDSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O ZINC001573802177 949411873 /nfs/dbraw/zinc/41/18/73/949411873.db2.gz FWOZTIVWEZURSC-OLZOCXBDSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573802190 949413640 /nfs/dbraw/zinc/41/36/40/949413640.db2.gz GOXYWUOCKMZVJT-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573802190 949413632 /nfs/dbraw/zinc/41/36/32/949413632.db2.gz GOXYWUOCKMZVJT-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573802191 949411527 /nfs/dbraw/zinc/41/15/27/949411527.db2.gz GOXYWUOCKMZVJT-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573802191 949411512 /nfs/dbraw/zinc/41/15/12/949411512.db2.gz GOXYWUOCKMZVJT-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573802314 949416582 /nfs/dbraw/zinc/41/65/82/949416582.db2.gz FAHJOAVKSXLZSA-GFCCVEGCSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573802314 949416570 /nfs/dbraw/zinc/41/65/70/949416570.db2.gz FAHJOAVKSXLZSA-GFCCVEGCSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573802315 949416224 /nfs/dbraw/zinc/41/62/24/949416224.db2.gz FAHJOAVKSXLZSA-LBPRGKRZSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573802315 949416209 /nfs/dbraw/zinc/41/62/09/949416209.db2.gz FAHJOAVKSXLZSA-LBPRGKRZSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O ZINC001573802542 949421088 /nfs/dbraw/zinc/42/10/88/949421088.db2.gz HPFLMPBNDJFGEI-NEPJUHHUSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O ZINC001573802542 949421077 /nfs/dbraw/zinc/42/10/77/949421077.db2.gz HPFLMPBNDJFGEI-NEPJUHHUSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573802561 949421411 /nfs/dbraw/zinc/42/14/11/949421411.db2.gz IKSKOULPAPVGJY-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573802561 949421394 /nfs/dbraw/zinc/42/13/94/949421394.db2.gz IKSKOULPAPVGJY-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573802571 949419402 /nfs/dbraw/zinc/41/94/02/949419402.db2.gz JALCKQOKOUXXLL-JTQLQIEISA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573802571 949419384 /nfs/dbraw/zinc/41/93/84/949419384.db2.gz JALCKQOKOUXXLL-JTQLQIEISA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573802572 949419610 /nfs/dbraw/zinc/41/96/10/949419610.db2.gz JALCKQOKOUXXLL-SNVBAGLBSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573802572 949419597 /nfs/dbraw/zinc/41/95/97/949419597.db2.gz JALCKQOKOUXXLL-SNVBAGLBSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573802844 949425989 /nfs/dbraw/zinc/42/59/89/949425989.db2.gz LCPRSKURXGBONO-PHIMTYICSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573802844 949425971 /nfs/dbraw/zinc/42/59/71/949425971.db2.gz LCPRSKURXGBONO-PHIMTYICSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573802849 949424323 /nfs/dbraw/zinc/42/43/23/949424323.db2.gz LCPRSKURXGBONO-XYPYZODXSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573802849 949424311 /nfs/dbraw/zinc/42/43/11/949424311.db2.gz LCPRSKURXGBONO-XYPYZODXSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573802851 949426169 /nfs/dbraw/zinc/42/61/69/949426169.db2.gz JYPNXUZAMNNFTO-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573802851 949426156 /nfs/dbraw/zinc/42/61/56/949426156.db2.gz JYPNXUZAMNNFTO-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O ZINC001573803206 949436625 /nfs/dbraw/zinc/43/66/25/949436625.db2.gz MELBMUUCBGADPJ-NEPJUHHUSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O ZINC001573803206 949436614 /nfs/dbraw/zinc/43/66/14/949436614.db2.gz MELBMUUCBGADPJ-NEPJUHHUSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001573803211 949435579 /nfs/dbraw/zinc/43/55/79/949435579.db2.gz MELBMUUCBGADPJ-VXGBXAGGSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001573803211 949435567 /nfs/dbraw/zinc/43/55/67/949435567.db2.gz MELBMUUCBGADPJ-VXGBXAGGSA-N -1 3 388.432 -0.910 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC001573803242 949435903 /nfs/dbraw/zinc/43/59/03/949435903.db2.gz MHNWJLBZYBJMIS-UHFFFAOYSA-N -1 3 375.389 -0.282 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC001573803242 949435889 /nfs/dbraw/zinc/43/58/89/949435889.db2.gz MHNWJLBZYBJMIS-UHFFFAOYSA-N -1 3 375.389 -0.282 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573803266 949440448 /nfs/dbraw/zinc/44/04/48/949440448.db2.gz MQUWCQIXJUPRMI-LLVKDONJSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573803266 949440435 /nfs/dbraw/zinc/44/04/35/949440435.db2.gz MQUWCQIXJUPRMI-LLVKDONJSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573803270 949439748 /nfs/dbraw/zinc/43/97/48/949439748.db2.gz MQUWCQIXJUPRMI-NSHDSACASA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573803270 949439731 /nfs/dbraw/zinc/43/97/31/949439731.db2.gz MQUWCQIXJUPRMI-NSHDSACASA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573803418 949442060 /nfs/dbraw/zinc/44/20/60/949442060.db2.gz OONXELKEAPZRSY-LLVKDONJSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573803418 949442042 /nfs/dbraw/zinc/44/20/42/949442042.db2.gz OONXELKEAPZRSY-LLVKDONJSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573803422 949443060 /nfs/dbraw/zinc/44/30/60/949443060.db2.gz OONXELKEAPZRSY-NSHDSACASA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573803422 949443047 /nfs/dbraw/zinc/44/30/47/949443047.db2.gz OONXELKEAPZRSY-NSHDSACASA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573803673 949447460 /nfs/dbraw/zinc/44/74/60/949447460.db2.gz PPLAQSXZUXLPIJ-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NCC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573803673 949447451 /nfs/dbraw/zinc/44/74/51/949447451.db2.gz PPLAQSXZUXLPIJ-UHFFFAOYSA-N -1 3 388.432 -0.455 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573803693 949449411 /nfs/dbraw/zinc/44/94/11/949449411.db2.gz QOJGEWXSUJIUSC-LLVKDONJSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573803693 949449395 /nfs/dbraw/zinc/44/93/95/949449395.db2.gz QOJGEWXSUJIUSC-LLVKDONJSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573803694 949448685 /nfs/dbraw/zinc/44/86/85/949448685.db2.gz QOJGEWXSUJIUSC-NSHDSACASA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573803694 949448666 /nfs/dbraw/zinc/44/86/66/949448666.db2.gz QOJGEWXSUJIUSC-NSHDSACASA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573803839 949451690 /nfs/dbraw/zinc/45/16/90/949451690.db2.gz UJFZQQIVLHOYQT-GFCCVEGCSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573803839 949451673 /nfs/dbraw/zinc/45/16/73/949451673.db2.gz UJFZQQIVLHOYQT-GFCCVEGCSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573803840 949451251 /nfs/dbraw/zinc/45/12/51/949451251.db2.gz UJFZQQIVLHOYQT-LBPRGKRZSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573803840 949451233 /nfs/dbraw/zinc/45/12/33/949451233.db2.gz UJFZQQIVLHOYQT-LBPRGKRZSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573803905 949457963 /nfs/dbraw/zinc/45/79/63/949457963.db2.gz WVCRYNFGCZFHIQ-GFCCVEGCSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573803905 949457951 /nfs/dbraw/zinc/45/79/51/949457951.db2.gz WVCRYNFGCZFHIQ-GFCCVEGCSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573803906 949457412 /nfs/dbraw/zinc/45/74/12/949457412.db2.gz WVCRYNFGCZFHIQ-LBPRGKRZSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573803906 949457403 /nfs/dbraw/zinc/45/74/03/949457403.db2.gz WVCRYNFGCZFHIQ-LBPRGKRZSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573803911 949457480 /nfs/dbraw/zinc/45/74/80/949457480.db2.gz XFXPUGPCZVTFMA-LLVKDONJSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573803911 949457472 /nfs/dbraw/zinc/45/74/72/949457472.db2.gz XFXPUGPCZVTFMA-LLVKDONJSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573803912 949459661 /nfs/dbraw/zinc/45/96/61/949459661.db2.gz XFXPUGPCZVTFMA-NSHDSACASA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573803912 949459652 /nfs/dbraw/zinc/45/96/52/949459652.db2.gz XFXPUGPCZVTFMA-NSHDSACASA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573803923 949457930 /nfs/dbraw/zinc/45/79/30/949457930.db2.gz XQRFIVIULZYIKM-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573803923 949457924 /nfs/dbraw/zinc/45/79/24/949457924.db2.gz XQRFIVIULZYIKM-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573803960 949458705 /nfs/dbraw/zinc/45/87/05/949458705.db2.gz YJXXPVGMYDNSPB-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573803960 949458690 /nfs/dbraw/zinc/45/86/90/949458690.db2.gz YJXXPVGMYDNSPB-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573803992 949463703 /nfs/dbraw/zinc/46/37/03/949463703.db2.gz ZIHXIJSFZAXONM-LLVKDONJSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573803992 949463686 /nfs/dbraw/zinc/46/36/86/949463686.db2.gz ZIHXIJSFZAXONM-LLVKDONJSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001573803993 949461915 /nfs/dbraw/zinc/46/19/15/949461915.db2.gz ZIHXIJSFZAXONM-NSHDSACASA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCCC(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001573803993 949461907 /nfs/dbraw/zinc/46/19/07/949461907.db2.gz ZIHXIJSFZAXONM-NSHDSACASA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573804355 949466870 /nfs/dbraw/zinc/46/68/70/949466870.db2.gz VDWBXIGWJVAUTH-LLVKDONJSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573804355 949466860 /nfs/dbraw/zinc/46/68/60/949466860.db2.gz VDWBXIGWJVAUTH-LLVKDONJSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573804356 949467400 /nfs/dbraw/zinc/46/74/00/949467400.db2.gz VDWBXIGWJVAUTH-NSHDSACASA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573804356 949467385 /nfs/dbraw/zinc/46/73/85/949467385.db2.gz VDWBXIGWJVAUTH-NSHDSACASA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573804497 949472714 /nfs/dbraw/zinc/47/27/14/949472714.db2.gz WMLKRADELGXARI-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573804497 949472699 /nfs/dbraw/zinc/47/26/99/949472699.db2.gz WMLKRADELGXARI-LLVKDONJSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573804498 949473261 /nfs/dbraw/zinc/47/32/61/949473261.db2.gz WMLKRADELGXARI-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573804498 949473243 /nfs/dbraw/zinc/47/32/43/949473243.db2.gz WMLKRADELGXARI-NSHDSACASA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573804607 949472953 /nfs/dbraw/zinc/47/29/53/949472953.db2.gz XVAPNOXFQOPCFS-JTQLQIEISA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573804607 949472941 /nfs/dbraw/zinc/47/29/41/949472941.db2.gz XVAPNOXFQOPCFS-JTQLQIEISA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573804608 949473144 /nfs/dbraw/zinc/47/31/44/949473144.db2.gz XVAPNOXFQOPCFS-SNVBAGLBSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573804608 949473131 /nfs/dbraw/zinc/47/31/31/949473131.db2.gz XVAPNOXFQOPCFS-SNVBAGLBSA-N -1 3 376.421 -0.687 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC001573804617 949472363 /nfs/dbraw/zinc/47/23/63/949472363.db2.gz YDZJFYCJBSAROW-JYAVWHMHSA-N -1 3 384.444 -0.025 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC001573804617 949472351 /nfs/dbraw/zinc/47/23/51/949472351.db2.gz YDZJFYCJBSAROW-JYAVWHMHSA-N -1 3 384.444 -0.025 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573804641 949475112 /nfs/dbraw/zinc/47/51/12/949475112.db2.gz YUUFUPMZSSZUEB-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(C)(C)C(=O)NCC(=O)NCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573804641 949475094 /nfs/dbraw/zinc/47/50/94/949475094.db2.gz YUUFUPMZSSZUEB-UHFFFAOYSA-N -1 3 388.432 -0.264 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573807929 949498579 /nfs/dbraw/zinc/49/85/79/949498579.db2.gz AEVBNCNIDRKHBE-CMPLNLGQSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573807929 949498564 /nfs/dbraw/zinc/49/85/64/949498564.db2.gz AEVBNCNIDRKHBE-CMPLNLGQSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573807930 949499621 /nfs/dbraw/zinc/49/96/21/949499621.db2.gz AEVBNCNIDRKHBE-JQWIXIFHSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573807930 949499602 /nfs/dbraw/zinc/49/96/02/949499602.db2.gz AEVBNCNIDRKHBE-JQWIXIFHSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573807931 949498129 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CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573810002 949561124 /nfs/dbraw/zinc/56/11/24/949561124.db2.gz XLKRNGOZSXWHFK-QWRGUYRKSA-N -1 3 390.404 -0.436 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573810003 949562255 /nfs/dbraw/zinc/56/22/55/949562255.db2.gz XLKRNGOZSXWHFK-WDEREUQCSA-N -1 3 390.404 -0.436 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001573810003 949562237 /nfs/dbraw/zinc/56/22/37/949562237.db2.gz XLKRNGOZSXWHFK-WDEREUQCSA-N -1 3 390.404 -0.436 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1COCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810020 949564158 /nfs/dbraw/zinc/56/41/58/949564158.db2.gz XWXZZZAUHQXHIB-CHWSQXEVSA-N -1 3 391.432 -0.129 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1COCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810020 949564142 /nfs/dbraw/zinc/56/41/42/949564142.db2.gz XWXZZZAUHQXHIB-CHWSQXEVSA-N -1 3 391.432 -0.129 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)[C@H]1COCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810021 949562322 /nfs/dbraw/zinc/56/23/22/949562322.db2.gz XWXZZZAUHQXHIB-OLZOCXBDSA-N -1 3 391.432 -0.129 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)[C@H]1COCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810021 949562300 /nfs/dbraw/zinc/56/23/00/949562300.db2.gz XWXZZZAUHQXHIB-OLZOCXBDSA-N -1 3 391.432 -0.129 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1COCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810022 949561579 /nfs/dbraw/zinc/56/15/79/949561579.db2.gz XWXZZZAUHQXHIB-QWHCGFSZSA-N -1 3 391.432 -0.129 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1COCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810022 949561561 /nfs/dbraw/zinc/56/15/61/949561561.db2.gz XWXZZZAUHQXHIB-QWHCGFSZSA-N -1 3 391.432 -0.129 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1COCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810023 949561201 /nfs/dbraw/zinc/56/12/01/949561201.db2.gz XWXZZZAUHQXHIB-STQMWFEESA-N -1 3 391.432 -0.129 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1COCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810023 949561179 /nfs/dbraw/zinc/56/11/79/949561179.db2.gz XWXZZZAUHQXHIB-STQMWFEESA-N -1 3 391.432 -0.129 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810036 949563879 /nfs/dbraw/zinc/56/38/79/949563879.db2.gz YBICODZLWLRCQE-CMPLNLGQSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810036 949563866 /nfs/dbraw/zinc/56/38/66/949563866.db2.gz YBICODZLWLRCQE-CMPLNLGQSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810037 949560214 /nfs/dbraw/zinc/56/02/14/949560214.db2.gz YBICODZLWLRCQE-JQWIXIFHSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CCC(=O)N1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810037 949560197 /nfs/dbraw/zinc/56/01/97/949560197.db2.gz YBICODZLWLRCQE-JQWIXIFHSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810038 949562560 /nfs/dbraw/zinc/56/25/60/949562560.db2.gz YBICODZLWLRCQE-PWSUYJOCSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810038 949562543 /nfs/dbraw/zinc/56/25/43/949562543.db2.gz YBICODZLWLRCQE-PWSUYJOCSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810039 949563175 /nfs/dbraw/zinc/56/31/75/949563175.db2.gz YBICODZLWLRCQE-ZYHUDNBSSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CCC(=O)N1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810039 949563154 /nfs/dbraw/zinc/56/31/54/949563154.db2.gz YBICODZLWLRCQE-ZYHUDNBSSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810082 949567083 /nfs/dbraw/zinc/56/70/83/949567083.db2.gz YRQOZMTUTYXUCB-GHMZBOCLSA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810082 949567066 /nfs/dbraw/zinc/56/70/66/949567066.db2.gz YRQOZMTUTYXUCB-GHMZBOCLSA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810083 949568867 /nfs/dbraw/zinc/56/88/67/949568867.db2.gz YRQOZMTUTYXUCB-MNOVXSKESA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)[C@H]1CNC(=O)N1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810083 949568850 /nfs/dbraw/zinc/56/88/50/949568850.db2.gz YRQOZMTUTYXUCB-MNOVXSKESA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810084 949566724 /nfs/dbraw/zinc/56/67/24/949566724.db2.gz YRQOZMTUTYXUCB-QWRGUYRKSA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810084 949566707 /nfs/dbraw/zinc/56/67/07/949566707.db2.gz YRQOZMTUTYXUCB-QWRGUYRKSA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573810085 949568388 /nfs/dbraw/zinc/56/83/88/949568388.db2.gz YRQOZMTUTYXUCB-WDEREUQCSA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)[C@@H]1CNC(=O)N1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573810085 949568380 /nfs/dbraw/zinc/56/83/80/949568380.db2.gz YRQOZMTUTYXUCB-WDEREUQCSA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1cncn1 ZINC001573810106 949567594 /nfs/dbraw/zinc/56/75/94/949567594.db2.gz ZFKRFCWJJQSKAB-GFCCVEGCSA-N -1 3 386.420 -0.253 20 0 GBADHM CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1cncn1 ZINC001573810106 949567573 /nfs/dbraw/zinc/56/75/73/949567573.db2.gz ZFKRFCWJJQSKAB-GFCCVEGCSA-N -1 3 386.420 -0.253 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1cncn1 ZINC001573810107 949567739 /nfs/dbraw/zinc/56/77/39/949567739.db2.gz ZFKRFCWJJQSKAB-LBPRGKRZSA-N -1 3 386.420 -0.253 20 0 GBADHM CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1cncn1 ZINC001573810107 949567723 /nfs/dbraw/zinc/56/77/23/949567723.db2.gz ZFKRFCWJJQSKAB-LBPRGKRZSA-N -1 3 386.420 -0.253 20 0 GBADHM CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1nnc[nH]1 ZINC001573815612 949658665 /nfs/dbraw/zinc/65/86/65/949658665.db2.gz JIWPXGLEYFXCEY-JTQLQIEISA-N -1 3 385.436 -0.228 20 0 GBADHM CC(C)(C)[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)CCc1nnc[nH]1 ZINC001573815612 949658652 /nfs/dbraw/zinc/65/86/52/949658652.db2.gz JIWPXGLEYFXCEY-JTQLQIEISA-N -1 3 385.436 -0.228 20 0 GBADHM CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CCc1nnc[nH]1 ZINC001573815613 949655670 /nfs/dbraw/zinc/65/56/70/949655670.db2.gz JIWPXGLEYFXCEY-SNVBAGLBSA-N -1 3 385.436 -0.228 20 0 GBADHM CC(C)(C)[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)CCc1nnc[nH]1 ZINC001573815613 949655655 /nfs/dbraw/zinc/65/56/55/949655655.db2.gz JIWPXGLEYFXCEY-SNVBAGLBSA-N -1 3 385.436 -0.228 20 0 GBADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573824972 949859315 /nfs/dbraw/zinc/85/93/15/949859315.db2.gz JOFNKSDDTVHEIQ-CYBMUJFWSA-N -1 3 387.448 -0.007 20 0 GBADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573824972 949859301 /nfs/dbraw/zinc/85/93/01/949859301.db2.gz JOFNKSDDTVHEIQ-CYBMUJFWSA-N -1 3 387.448 -0.007 20 0 GBADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573824973 949859035 /nfs/dbraw/zinc/85/90/35/949859035.db2.gz JOFNKSDDTVHEIQ-ZDUSSCGKSA-N -1 3 387.448 -0.007 20 0 GBADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573824973 949859012 /nfs/dbraw/zinc/85/90/12/949859012.db2.gz JOFNKSDDTVHEIQ-ZDUSSCGKSA-N -1 3 387.448 -0.007 20 0 GBADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573825166 949863362 /nfs/dbraw/zinc/86/33/62/949863362.db2.gz LIWWRPRHVCWHMR-GFCCVEGCSA-N -1 3 387.448 -0.007 20 0 GBADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573825166 949863343 /nfs/dbraw/zinc/86/33/43/949863343.db2.gz LIWWRPRHVCWHMR-GFCCVEGCSA-N -1 3 387.448 -0.007 20 0 GBADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573825167 949863997 /nfs/dbraw/zinc/86/39/97/949863997.db2.gz LIWWRPRHVCWHMR-LBPRGKRZSA-N -1 3 387.448 -0.007 20 0 GBADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573825167 949863979 /nfs/dbraw/zinc/86/39/79/949863979.db2.gz LIWWRPRHVCWHMR-LBPRGKRZSA-N -1 3 387.448 -0.007 20 0 GBADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573825512 949886977 /nfs/dbraw/zinc/88/69/77/949886977.db2.gz YNJWHAFUONYKKO-CYBMUJFWSA-N -1 3 387.448 -0.007 20 0 GBADHM CC(C)(C)[C@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573825512 949886966 /nfs/dbraw/zinc/88/69/66/949886966.db2.gz YNJWHAFUONYKKO-CYBMUJFWSA-N -1 3 387.448 -0.007 20 0 GBADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573825513 949885206 /nfs/dbraw/zinc/88/52/06/949885206.db2.gz YNJWHAFUONYKKO-ZDUSSCGKSA-N -1 3 387.448 -0.007 20 0 GBADHM CC(C)(C)[C@@H](NC(N)=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573825513 949885188 /nfs/dbraw/zinc/88/51/88/949885188.db2.gz YNJWHAFUONYKKO-ZDUSSCGKSA-N -1 3 387.448 -0.007 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573835060 950033162 /nfs/dbraw/zinc/03/31/62/950033162.db2.gz NKCSZZAVCUZHCB-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573835060 950033141 /nfs/dbraw/zinc/03/31/41/950033141.db2.gz NKCSZZAVCUZHCB-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573835429 950054166 /nfs/dbraw/zinc/05/41/66/950054166.db2.gz XJFQCRRILJYGGI-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573835429 950054141 /nfs/dbraw/zinc/05/41/41/950054141.db2.gz XJFQCRRILJYGGI-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573835443 950052605 /nfs/dbraw/zinc/05/26/05/950052605.db2.gz XJLQZHKGWKEYQF-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573835443 950052580 /nfs/dbraw/zinc/05/25/80/950052580.db2.gz XJLQZHKGWKEYQF-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573835730 950062106 /nfs/dbraw/zinc/06/21/06/950062106.db2.gz AXYSREMAOSRLDO-GFCCVEGCSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573835730 950062087 /nfs/dbraw/zinc/06/20/87/950062087.db2.gz AXYSREMAOSRLDO-GFCCVEGCSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573835731 950060999 /nfs/dbraw/zinc/06/09/99/950060999.db2.gz AXYSREMAOSRLDO-LBPRGKRZSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573835731 950060973 /nfs/dbraw/zinc/06/09/73/950060973.db2.gz AXYSREMAOSRLDO-LBPRGKRZSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573836232 950077070 /nfs/dbraw/zinc/07/70/70/950077070.db2.gz HISWSNRDHUVBGM-LLVKDONJSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573836232 950077047 /nfs/dbraw/zinc/07/70/47/950077047.db2.gz HISWSNRDHUVBGM-LLVKDONJSA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001573836233 950080372 /nfs/dbraw/zinc/08/03/72/950080372.db2.gz HISWSNRDHUVBGM-NSHDSACASA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001573836233 950080350 /nfs/dbraw/zinc/08/03/50/950080350.db2.gz HISWSNRDHUVBGM-NSHDSACASA-N -1 3 390.448 -0.297 20 0 GBADHM CC(C)(C)CC(=O)NCC(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573836243 950077380 /nfs/dbraw/zinc/07/73/80/950077380.db2.gz 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/nfs/dbraw/zinc/52/78/27/950527827.db2.gz VPMBXGOEYRNXFQ-DGCLKSJQSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001573867319 950527530 /nfs/dbraw/zinc/52/75/30/950527530.db2.gz VPMBXGOEYRNXFQ-WCQYABFASA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001573867319 950527510 /nfs/dbraw/zinc/52/75/10/950527510.db2.gz VPMBXGOEYRNXFQ-WCQYABFASA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001573867320 950527473 /nfs/dbraw/zinc/52/74/73/950527473.db2.gz VPMBXGOEYRNXFQ-YPMHNXCESA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001573867320 950527451 /nfs/dbraw/zinc/52/74/51/950527451.db2.gz VPMBXGOEYRNXFQ-YPMHNXCESA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573867388 950533264 /nfs/dbraw/zinc/53/32/64/950533264.db2.gz YGDWEARTFOEPFU-UHFFFAOYSA-N -1 3 377.405 -0.687 20 0 GBADHM CC(C)(C)OCC(=O)N1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573867388 950533244 /nfs/dbraw/zinc/53/32/44/950533244.db2.gz YGDWEARTFOEPFU-UHFFFAOYSA-N -1 3 377.405 -0.687 20 0 GBADHM CC(C)(C)OCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573868562 950541491 /nfs/dbraw/zinc/54/14/91/950541491.db2.gz DKOMGVPXKGPTLO-UHFFFAOYSA-N -1 3 391.432 -0.297 20 0 GBADHM CC(C)(C)OCC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573868562 950541468 /nfs/dbraw/zinc/54/14/68/950541468.db2.gz DKOMGVPXKGPTLO-UHFFFAOYSA-N -1 3 391.432 -0.297 20 0 GBADHM CC(C)(C)OCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001573868870 950547943 /nfs/dbraw/zinc/54/79/43/950547943.db2.gz GVAGOLXTPUMLRK-AAEUAGOBSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001573868870 950547927 /nfs/dbraw/zinc/54/79/27/950547927.db2.gz GVAGOLXTPUMLRK-AAEUAGOBSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001573868871 950545886 /nfs/dbraw/zinc/54/58/86/950545886.db2.gz GVAGOLXTPUMLRK-DGCLKSJQSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001573868871 950545873 /nfs/dbraw/zinc/54/58/73/950545873.db2.gz GVAGOLXTPUMLRK-DGCLKSJQSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001573868872 950546057 /nfs/dbraw/zinc/54/60/57/950546057.db2.gz GVAGOLXTPUMLRK-WCQYABFASA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001573868872 950546044 /nfs/dbraw/zinc/54/60/44/950546044.db2.gz GVAGOLXTPUMLRK-WCQYABFASA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001573868873 950547990 /nfs/dbraw/zinc/54/79/90/950547990.db2.gz GVAGOLXTPUMLRK-YPMHNXCESA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1O ZINC001573868873 950547975 /nfs/dbraw/zinc/54/79/75/950547975.db2.gz GVAGOLXTPUMLRK-YPMHNXCESA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001573868962 950550317 /nfs/dbraw/zinc/55/03/17/950550317.db2.gz IOLKVWIDHMVGFO-NEPJUHHUSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)OCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001573868962 950550309 /nfs/dbraw/zinc/55/03/09/950550309.db2.gz IOLKVWIDHMVGFO-NEPJUHHUSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)OCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573868963 950551816 /nfs/dbraw/zinc/55/18/16/950551816.db2.gz IOLKVWIDHMVGFO-VXGBXAGGSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)OCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573868963 950551802 /nfs/dbraw/zinc/55/18/02/950551802.db2.gz IOLKVWIDHMVGFO-VXGBXAGGSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)OCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001573869154 950556757 /nfs/dbraw/zinc/55/67/57/950556757.db2.gz LOSPSWWHRIZQED-GWCFXTLKSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001573869154 950556745 /nfs/dbraw/zinc/55/67/45/950556745.db2.gz LOSPSWWHRIZQED-GWCFXTLKSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573869155 950558060 /nfs/dbraw/zinc/55/80/60/950558060.db2.gz LOSPSWWHRIZQED-GXFFZTMASA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573869155 950558044 /nfs/dbraw/zinc/55/80/44/950558044.db2.gz LOSPSWWHRIZQED-GXFFZTMASA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001573869156 950557415 /nfs/dbraw/zinc/55/74/15/950557415.db2.gz LOSPSWWHRIZQED-MFKMUULPSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001573869156 950557396 /nfs/dbraw/zinc/55/73/96/950557396.db2.gz LOSPSWWHRIZQED-MFKMUULPSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573869157 950555052 /nfs/dbraw/zinc/55/50/52/950555052.db2.gz LOSPSWWHRIZQED-ZWNOBZJWSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573869157 950555035 /nfs/dbraw/zinc/55/50/35/950555035.db2.gz LOSPSWWHRIZQED-ZWNOBZJWSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573869165 950555747 /nfs/dbraw/zinc/55/57/47/950555747.db2.gz LSVXMFIOTSJTNX-AAEUAGOBSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001573869165 950555732 /nfs/dbraw/zinc/55/57/32/950555732.db2.gz LSVXMFIOTSJTNX-AAEUAGOBSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573869166 950555001 /nfs/dbraw/zinc/55/50/01/950555001.db2.gz LSVXMFIOTSJTNX-DGCLKSJQSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001573869166 950554978 /nfs/dbraw/zinc/55/49/78/950554978.db2.gz LSVXMFIOTSJTNX-DGCLKSJQSA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573869167 950556527 /nfs/dbraw/zinc/55/65/27/950556527.db2.gz LSVXMFIOTSJTNX-WCQYABFASA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001573869167 950556513 /nfs/dbraw/zinc/55/65/13/950556513.db2.gz LSVXMFIOTSJTNX-WCQYABFASA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573869168 950554701 /nfs/dbraw/zinc/55/47/01/950554701.db2.gz LSVXMFIOTSJTNX-YPMHNXCESA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001573869168 950554689 /nfs/dbraw/zinc/55/46/89/950554689.db2.gz LSVXMFIOTSJTNX-YPMHNXCESA-N -1 3 391.432 -0.299 20 0 GBADHM CC(C)(C)OCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573869601 950571696 /nfs/dbraw/zinc/57/16/96/950571696.db2.gz ADIJKXFCOZSZEA-UHFFFAOYSA-N -1 3 377.405 -0.687 20 0 GBADHM CC(C)(C)OCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573869601 950571682 /nfs/dbraw/zinc/57/16/82/950571682.db2.gz ADIJKXFCOZSZEA-UHFFFAOYSA-N -1 3 377.405 -0.687 20 0 GBADHM CC(C)(C)OCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001573869935 950579766 /nfs/dbraw/zinc/57/97/66/950579766.db2.gz RWQSJBXBGNFPII-NEPJUHHUSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)OCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001573869935 950579749 /nfs/dbraw/zinc/57/97/49/950579749.db2.gz RWQSJBXBGNFPII-NEPJUHHUSA-N -1 3 377.405 -0.689 20 0 GBADHM 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ZINC001573870533 950596890 /nfs/dbraw/zinc/59/68/90/950596890.db2.gz HPBKHPNENFVUEL-UHFFFAOYSA-N -1 3 379.421 -0.439 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573870605 950602033 /nfs/dbraw/zinc/60/20/33/950602033.db2.gz KCUPRUMMJVDBPN-GFCCVEGCSA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573870605 950602022 /nfs/dbraw/zinc/60/20/22/950602022.db2.gz KCUPRUMMJVDBPN-GFCCVEGCSA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573870606 950601491 /nfs/dbraw/zinc/60/14/91/950601491.db2.gz KCUPRUMMJVDBPN-LBPRGKRZSA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@H]1COCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573870606 950601481 /nfs/dbraw/zinc/60/14/81/950601481.db2.gz KCUPRUMMJVDBPN-LBPRGKRZSA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573870611 950599996 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ZINC001573871528 950619678 /nfs/dbraw/zinc/61/96/78/950619678.db2.gz RAQCSKVNQLQYCD-GFCCVEGCSA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCO1 ZINC001573871529 950618462 /nfs/dbraw/zinc/61/84/62/950618462.db2.gz RAQCSKVNQLQYCD-LBPRGKRZSA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCO1 ZINC001573871529 950618443 /nfs/dbraw/zinc/61/84/43/950618443.db2.gz RAQCSKVNQLQYCD-LBPRGKRZSA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)NCCN(CCO)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573871555 950617923 /nfs/dbraw/zinc/61/79/23/950617923.db2.gz RWLHPAHCQWWLPO-UHFFFAOYSA-N -1 3 379.421 -0.439 20 0 GBADHM CC(C)(C)OCC(=O)NCCN(CCO)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573871555 950617889 /nfs/dbraw/zinc/61/78/89/950617889.db2.gz RWLHPAHCQWWLPO-UHFFFAOYSA-N -1 3 379.421 -0.439 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573871600 950622219 /nfs/dbraw/zinc/62/22/19/950622219.db2.gz 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GBADHM CC(C)(C)OCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCO1 ZINC001573871927 950629216 /nfs/dbraw/zinc/62/92/16/950629216.db2.gz XTANMDIOKIRXMP-LBPRGKRZSA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCO1 ZINC001573871927 950629203 /nfs/dbraw/zinc/62/92/03/950629203.db2.gz XTANMDIOKIRXMP-LBPRGKRZSA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573871935 950632606 /nfs/dbraw/zinc/63/26/06/950632606.db2.gz XVMQPRKUTYQUOH-LLVKDONJSA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573871935 950632594 /nfs/dbraw/zinc/63/25/94/950632594.db2.gz XVMQPRKUTYQUOH-LLVKDONJSA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001573871938 950631874 /nfs/dbraw/zinc/63/18/74/950631874.db2.gz XVMQPRKUTYQUOH-NSHDSACASA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)NC[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001573871938 950631862 /nfs/dbraw/zinc/63/18/62/950631862.db2.gz XVMQPRKUTYQUOH-NSHDSACASA-N -1 3 391.432 -0.033 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1O ZINC001573873308 950641232 /nfs/dbraw/zinc/64/12/32/950641232.db2.gz HYOUUDGJGXRVGR-VXGBXAGGSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1O ZINC001573873308 950641214 /nfs/dbraw/zinc/64/12/14/950641214.db2.gz HYOUUDGJGXRVGR-VXGBXAGGSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001573873500 950644534 /nfs/dbraw/zinc/64/45/34/950644534.db2.gz MSIZMYVRCYSVQD-VXGBXAGGSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001573873500 950644525 /nfs/dbraw/zinc/64/45/25/950644525.db2.gz MSIZMYVRCYSVQD-VXGBXAGGSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@@H]1O ZINC001573873542 950649349 /nfs/dbraw/zinc/64/93/49/950649349.db2.gz PUBQYDRQNOTPBD-NEPJUHHUSA-N -1 3 379.396 -0.118 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@@H]1O ZINC001573873542 950649337 /nfs/dbraw/zinc/64/93/37/950649337.db2.gz PUBQYDRQNOTPBD-NEPJUHHUSA-N -1 3 379.396 -0.118 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1O ZINC001573873543 950650942 /nfs/dbraw/zinc/65/09/42/950650942.db2.gz PUBQYDRQNOTPBD-VXGBXAGGSA-N -1 3 379.396 -0.118 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1O ZINC001573873543 950650936 /nfs/dbraw/zinc/65/09/36/950650936.db2.gz PUBQYDRQNOTPBD-VXGBXAGGSA-N -1 3 379.396 -0.118 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001573873581 950650883 /nfs/dbraw/zinc/65/08/83/950650883.db2.gz RUWUMHGVSDZXQS-NEPJUHHUSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001573873581 950650872 /nfs/dbraw/zinc/65/08/72/950650872.db2.gz RUWUMHGVSDZXQS-NEPJUHHUSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001573873582 950650312 /nfs/dbraw/zinc/65/03/12/950650312.db2.gz RUWUMHGVSDZXQS-VXGBXAGGSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)OCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001573873582 950650303 /nfs/dbraw/zinc/65/03/03/950650303.db2.gz RUWUMHGVSDZXQS-VXGBXAGGSA-N -1 3 377.405 -0.689 20 0 GBADHM CC(C)(C)c1noc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001573884157 950788416 /nfs/dbraw/zinc/78/84/16/950788416.db2.gz AHPNMZRGONQVMO-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001573884157 950788400 /nfs/dbraw/zinc/78/84/00/950788400.db2.gz AHPNMZRGONQVMO-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001573884162 950785708 /nfs/dbraw/zinc/78/57/08/950785708.db2.gz AHPNMZRGONQVMO-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001573884162 950785690 /nfs/dbraw/zinc/78/56/90/950785690.db2.gz AHPNMZRGONQVMO-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001573884234 950791610 /nfs/dbraw/zinc/79/16/10/950791610.db2.gz BLXLGTLQLWKGMD-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001573884234 950791599 /nfs/dbraw/zinc/79/15/99/950791599.db2.gz BLXLGTLQLWKGMD-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001573884235 950791193 /nfs/dbraw/zinc/79/11/93/950791193.db2.gz BLXLGTLQLWKGMD-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001573884235 950791185 /nfs/dbraw/zinc/79/11/85/950791185.db2.gz BLXLGTLQLWKGMD-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CN[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001573884314 950789957 /nfs/dbraw/zinc/78/99/57/950789957.db2.gz CSLSISKEYVDHCY-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CN[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001573884314 950789940 /nfs/dbraw/zinc/78/99/40/950789940.db2.gz CSLSISKEYVDHCY-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CN[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001573884316 950790974 /nfs/dbraw/zinc/79/09/74/950790974.db2.gz CSLSISKEYVDHCY-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CN[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001573884316 950790967 /nfs/dbraw/zinc/79/09/67/950790967.db2.gz CSLSISKEYVDHCY-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CNC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001573884578 950800675 /nfs/dbraw/zinc/80/06/75/950800675.db2.gz FTGMQECIROTQOQ-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CNC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001573884578 950800650 /nfs/dbraw/zinc/80/06/50/950800650.db2.gz FTGMQECIROTQOQ-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CNC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001573884581 950802944 /nfs/dbraw/zinc/80/29/44/950802944.db2.gz FTGMQECIROTQOQ-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CNC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001573884581 950802933 /nfs/dbraw/zinc/80/29/33/950802933.db2.gz FTGMQECIROTQOQ-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC001573884624 950798778 /nfs/dbraw/zinc/79/87/78/950798778.db2.gz GRZJAUBBWHYPCR-SECBINFHSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC001573884624 950798769 /nfs/dbraw/zinc/79/87/69/950798769.db2.gz GRZJAUBBWHYPCR-SECBINFHSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CN[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC001573884626 950801999 /nfs/dbraw/zinc/80/19/99/950801999.db2.gz GRZJAUBBWHYPCR-VIFPVBQESA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CN[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC001573884626 950801970 /nfs/dbraw/zinc/80/19/70/950801970.db2.gz GRZJAUBBWHYPCR-VIFPVBQESA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001573884640 950802759 /nfs/dbraw/zinc/80/27/59/950802759.db2.gz HEQDBDWYSYPJAZ-SECBINFHSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001573884640 950802741 /nfs/dbraw/zinc/80/27/41/950802741.db2.gz HEQDBDWYSYPJAZ-SECBINFHSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CN[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001573884642 950801156 /nfs/dbraw/zinc/80/11/56/950801156.db2.gz HEQDBDWYSYPJAZ-VIFPVBQESA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CN[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001573884642 950801134 /nfs/dbraw/zinc/80/11/34/950801134.db2.gz HEQDBDWYSYPJAZ-VIFPVBQESA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001573884683 950800152 /nfs/dbraw/zinc/80/01/52/950800152.db2.gz IQDDNYYOFHOJBJ-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001573884683 950800133 /nfs/dbraw/zinc/80/01/33/950800133.db2.gz IQDDNYYOFHOJBJ-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001573884684 950800909 /nfs/dbraw/zinc/80/09/09/950800909.db2.gz IQDDNYYOFHOJBJ-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001573884684 950800888 /nfs/dbraw/zinc/80/08/88/950800888.db2.gz IQDDNYYOFHOJBJ-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001573884697 950799717 /nfs/dbraw/zinc/79/97/17/950799717.db2.gz JCLKSPIJQLLKAX-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001573884697 950799705 /nfs/dbraw/zinc/79/97/05/950799705.db2.gz JCLKSPIJQLLKAX-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001573884699 950801245 /nfs/dbraw/zinc/80/12/45/950801245.db2.gz JCLKSPIJQLLKAX-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nnc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001573884699 950801224 /nfs/dbraw/zinc/80/12/24/950801224.db2.gz JCLKSPIJQLLKAX-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CN[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573884953 950805202 /nfs/dbraw/zinc/80/52/02/950805202.db2.gz KODQSTZNRZQBRQ-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CN[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573884953 950805174 /nfs/dbraw/zinc/80/51/74/950805174.db2.gz KODQSTZNRZQBRQ-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CN[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573884954 950803962 /nfs/dbraw/zinc/80/39/62/950803962.db2.gz KODQSTZNRZQBRQ-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CN[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573884954 950803941 /nfs/dbraw/zinc/80/39/41/950803941.db2.gz KODQSTZNRZQBRQ-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CN[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)no1 ZINC001573884995 950805942 /nfs/dbraw/zinc/80/59/42/950805942.db2.gz KXHKSSNOVOKDIY-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CN[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)no1 ZINC001573884995 950805926 /nfs/dbraw/zinc/80/59/26/950805926.db2.gz KXHKSSNOVOKDIY-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CN[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)no1 ZINC001573884998 950806364 /nfs/dbraw/zinc/80/63/64/950806364.db2.gz KXHKSSNOVOKDIY-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CN[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)no1 ZINC001573884998 950806342 /nfs/dbraw/zinc/80/63/42/950806342.db2.gz KXHKSSNOVOKDIY-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CNC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001573885093 950817290 /nfs/dbraw/zinc/81/72/90/950817290.db2.gz OEDNFIYKIDZWCO-SECBINFHSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CNC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001573885093 950817266 /nfs/dbraw/zinc/81/72/66/950817266.db2.gz OEDNFIYKIDZWCO-SECBINFHSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CNC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001573885094 950814832 /nfs/dbraw/zinc/81/48/32/950814832.db2.gz OEDNFIYKIDZWCO-VIFPVBQESA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CNC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001573885094 950814815 /nfs/dbraw/zinc/81/48/15/950814815.db2.gz OEDNFIYKIDZWCO-VIFPVBQESA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CNC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573885111 950816902 /nfs/dbraw/zinc/81/69/02/950816902.db2.gz PIFJSNCJPMHEFL-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CNC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573885111 950816885 /nfs/dbraw/zinc/81/68/85/950816885.db2.gz PIFJSNCJPMHEFL-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CNC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573885112 950815369 /nfs/dbraw/zinc/81/53/69/950815369.db2.gz PIFJSNCJPMHEFL-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CNC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573885112 950815343 /nfs/dbraw/zinc/81/53/43/950815343.db2.gz PIFJSNCJPMHEFL-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001573885124 950817220 /nfs/dbraw/zinc/81/72/20/950817220.db2.gz PPDMGGZHDJSGIM-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001573885124 950817199 /nfs/dbraw/zinc/81/71/99/950817199.db2.gz PPDMGGZHDJSGIM-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001573885125 950817669 /nfs/dbraw/zinc/81/76/69/950817669.db2.gz PPDMGGZHDJSGIM-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1noc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001573885125 950817647 /nfs/dbraw/zinc/81/76/47/950817647.db2.gz PPDMGGZHDJSGIM-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CNC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)no1 ZINC001573885857 950839083 /nfs/dbraw/zinc/83/90/83/950839083.db2.gz VTPGSDUATAXRGG-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CNC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)no1 ZINC001573885857 950839058 /nfs/dbraw/zinc/83/90/58/950839058.db2.gz VTPGSDUATAXRGG-JTQLQIEISA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CNC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)no1 ZINC001573885859 950836409 /nfs/dbraw/zinc/83/64/09/950836409.db2.gz VTPGSDUATAXRGG-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)c1nc(CNC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)no1 ZINC001573885859 950836381 /nfs/dbraw/zinc/83/63/81/950836381.db2.gz VTPGSDUATAXRGG-SNVBAGLBSA-N -1 3 389.420 -0.244 20 0 GBADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001573887835 950856522 /nfs/dbraw/zinc/85/65/22/950856522.db2.gz KIVYSTXUWHTAMY-VIFPVBQESA-N -1 3 381.418 -0.725 20 0 GBADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001573887835 950856504 /nfs/dbraw/zinc/85/65/04/950856504.db2.gz KIVYSTXUWHTAMY-VIFPVBQESA-N -1 3 381.418 -0.725 20 0 GBADHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001573888599 950869664 /nfs/dbraw/zinc/86/96/64/950869664.db2.gz WYZONYTXOACCBN-NXEZZACHSA-N -1 3 383.434 -0.297 20 0 GBADHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O ZINC001573888599 950869649 /nfs/dbraw/zinc/86/96/49/950869649.db2.gz WYZONYTXOACCBN-NXEZZACHSA-N -1 3 383.434 -0.297 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573893367 950878484 /nfs/dbraw/zinc/87/84/84/950878484.db2.gz BTPDCGJURXYREE-JTQLQIEISA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573893367 950878475 /nfs/dbraw/zinc/87/84/75/950878475.db2.gz BTPDCGJURXYREE-JTQLQIEISA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573893368 950880412 /nfs/dbraw/zinc/88/04/12/950880412.db2.gz BTPDCGJURXYREE-SNVBAGLBSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573893368 950880394 /nfs/dbraw/zinc/88/03/94/950880394.db2.gz BTPDCGJURXYREE-SNVBAGLBSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001573893373 950881084 /nfs/dbraw/zinc/88/10/84/950881084.db2.gz BWOKQGAPNMXJHC-UHFFFAOYSA-N -1 3 385.436 -0.106 20 0 GBADHM CC(C)(C)n1nnc(CN2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001573893373 950881067 /nfs/dbraw/zinc/88/10/67/950881067.db2.gz BWOKQGAPNMXJHC-UHFFFAOYSA-N -1 3 385.436 -0.106 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573893375 950880970 /nfs/dbraw/zinc/88/09/70/950880970.db2.gz CHKQCRSRXXWZJL-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573893375 950880950 /nfs/dbraw/zinc/88/09/50/950880950.db2.gz CHKQCRSRXXWZJL-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573893376 950878066 /nfs/dbraw/zinc/87/80/66/950878066.db2.gz CHKQCRSRXXWZJL-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573893376 950878044 /nfs/dbraw/zinc/87/80/44/950878044.db2.gz CHKQCRSRXXWZJL-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573893377 950881488 /nfs/dbraw/zinc/88/14/88/950881488.db2.gz CIBSLOOUQNAOCJ-JTQLQIEISA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573893377 950881475 /nfs/dbraw/zinc/88/14/75/950881475.db2.gz CIBSLOOUQNAOCJ-JTQLQIEISA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573893381 950878724 /nfs/dbraw/zinc/87/87/24/950878724.db2.gz CQAPYFDWQDXBFY-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573893381 950878709 /nfs/dbraw/zinc/87/87/09/950878709.db2.gz CQAPYFDWQDXBFY-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001573893400 950880575 /nfs/dbraw/zinc/88/05/75/950880575.db2.gz DKUSDWORSDCZDL-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001573893400 950880560 /nfs/dbraw/zinc/88/05/60/950880560.db2.gz DKUSDWORSDCZDL-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001573893401 950880813 /nfs/dbraw/zinc/88/08/13/950880813.db2.gz DKUSDWORSDCZDL-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001573893401 950880787 /nfs/dbraw/zinc/88/07/87/950880787.db2.gz DKUSDWORSDCZDL-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1nnnc1CNC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573893402 950881172 /nfs/dbraw/zinc/88/11/72/950881172.db2.gz DLICFIGCIIZQQB-UHFFFAOYSA-N -1 3 385.436 -0.012 20 0 GBADHM CC(C)(C)n1nnnc1CNC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573893402 950881158 /nfs/dbraw/zinc/88/11/58/950881158.db2.gz DLICFIGCIIZQQB-UHFFFAOYSA-N -1 3 385.436 -0.012 20 0 GBADHM CC(C)(C)n1ncnc1CNC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573893417 950886505 /nfs/dbraw/zinc/88/65/05/950886505.db2.gz FDDKBWAHGWWFIM-LLVKDONJSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1ncnc1CNC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573893418 950883261 /nfs/dbraw/zinc/88/32/61/950883261.db2.gz FDDKBWAHGWWFIM-NSHDSACASA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1nnc(CNC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)n1 ZINC001573893427 950885719 /nfs/dbraw/zinc/88/57/19/950885719.db2.gz FQGVOBWJZWVFDF-UHFFFAOYSA-N -1 3 385.436 -0.012 20 0 GBADHM CC(C)(C)n1nnc(CNC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)n1 ZINC001573893427 950885706 /nfs/dbraw/zinc/88/57/06/950885706.db2.gz FQGVOBWJZWVFDF-UHFFFAOYSA-N -1 3 385.436 -0.012 20 0 GBADHM CC(C)(C)n1ncnc1CNC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573893428 950883125 /nfs/dbraw/zinc/88/31/25/950883125.db2.gz FQWALFYBBQHHQX-JTQLQIEISA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1ncnc1CNC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573893429 950882764 /nfs/dbraw/zinc/88/27/64/950882764.db2.gz FQWALFYBBQHHQX-SNVBAGLBSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nn[n-]n2)n1 ZINC001573893430 950884012 /nfs/dbraw/zinc/88/40/12/950884012.db2.gz FUDNWCQPOUPNPD-JTQLQIEISA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nnn[n-]2)n1 ZINC001573893430 950883995 /nfs/dbraw/zinc/88/39/95/950883995.db2.gz FUDNWCQPOUPNPD-JTQLQIEISA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@H](O)CNc2ncccc2-c2nn[n-]n2)n1 ZINC001573893431 950885627 /nfs/dbraw/zinc/88/56/27/950885627.db2.gz FUDNWCQPOUPNPD-SNVBAGLBSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@H](O)CNc2ncccc2-c2nnn[n-]2)n1 ZINC001573893431 950885613 /nfs/dbraw/zinc/88/56/13/950885613.db2.gz FUDNWCQPOUPNPD-SNVBAGLBSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1nnnc1CN[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573893455 950885531 /nfs/dbraw/zinc/88/55/31/950885531.db2.gz GSWFLCVJGMESQF-JTQLQIEISA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573893455 950885518 /nfs/dbraw/zinc/88/55/18/950885518.db2.gz GSWFLCVJGMESQF-JTQLQIEISA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573893456 950885964 /nfs/dbraw/zinc/88/59/64/950885964.db2.gz GSWFLCVJGMESQF-SNVBAGLBSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573893456 950885949 /nfs/dbraw/zinc/88/59/49/950885949.db2.gz GSWFLCVJGMESQF-SNVBAGLBSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573893460 950883965 /nfs/dbraw/zinc/88/39/65/950883965.db2.gz GXMONAKPPYJQBU-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573893460 950883953 /nfs/dbraw/zinc/88/39/53/950883953.db2.gz GXMONAKPPYJQBU-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573893461 950883378 /nfs/dbraw/zinc/88/33/78/950883378.db2.gz GXMONAKPPYJQBU-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573893461 950883359 /nfs/dbraw/zinc/88/33/59/950883359.db2.gz GXMONAKPPYJQBU-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573893465 950884475 /nfs/dbraw/zinc/88/44/75/950884475.db2.gz HCRUHTJPDJOXDK-UHFFFAOYSA-N -1 3 385.392 -0.809 20 0 GBADHM CC(C)(C)n1nnc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573893465 950884460 /nfs/dbraw/zinc/88/44/60/950884460.db2.gz HCRUHTJPDJOXDK-UHFFFAOYSA-N -1 3 385.392 -0.809 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573893471 950886666 /nfs/dbraw/zinc/88/66/66/950886666.db2.gz HPLFTVBAJNXELC-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573893471 950886648 /nfs/dbraw/zinc/88/66/48/950886648.db2.gz HPLFTVBAJNXELC-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573893472 950884781 /nfs/dbraw/zinc/88/47/81/950884781.db2.gz HPLFTVBAJNXELC-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573893472 950884764 /nfs/dbraw/zinc/88/47/64/950884764.db2.gz HPLFTVBAJNXELC-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CNC1(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573893475 950884371 /nfs/dbraw/zinc/88/43/71/950884371.db2.gz HQXSBYWIKIRLKD-UHFFFAOYSA-N -1 3 385.436 -0.012 20 0 GBADHM CC(C)(C)n1nnnc1CNC1(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573893475 950884352 /nfs/dbraw/zinc/88/43/52/950884352.db2.gz HQXSBYWIKIRLKD-UHFFFAOYSA-N -1 3 385.436 -0.012 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573893477 950885424 /nfs/dbraw/zinc/88/54/24/950885424.db2.gz HTHWHLXJJOSVOE-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573893477 950885404 /nfs/dbraw/zinc/88/54/04/950885404.db2.gz HTHWHLXJJOSVOE-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573893478 950884056 /nfs/dbraw/zinc/88/40/56/950884056.db2.gz HTHWHLXJJOSVOE-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573893478 950884043 /nfs/dbraw/zinc/88/40/43/950884043.db2.gz HTHWHLXJJOSVOE-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573893479 950883625 /nfs/dbraw/zinc/88/36/25/950883625.db2.gz HUKHVZVDVSTXGD-UHFFFAOYSA-N -1 3 385.436 -0.106 20 0 GBADHM CC(C)(C)n1nnnc1CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573893479 950883612 /nfs/dbraw/zinc/88/36/12/950883612.db2.gz HUKHVZVDVSTXGD-UHFFFAOYSA-N -1 3 385.436 -0.106 20 0 GBADHM CC(C)(C)n1nnc(C(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573893493 950885309 /nfs/dbraw/zinc/88/53/09/950885309.db2.gz IEPRWUKPEYFXHA-UHFFFAOYSA-N -1 3 385.392 -0.809 20 0 GBADHM CC(C)(C)n1nnc(C(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573893493 950885289 /nfs/dbraw/zinc/88/52/89/950885289.db2.gz IEPRWUKPEYFXHA-UHFFFAOYSA-N -1 3 385.392 -0.809 20 0 GBADHM CC(C)(C)n1nnc(CCN2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573893496 950890784 /nfs/dbraw/zinc/89/07/84/950890784.db2.gz IQPNNZNMRBHZFG-UHFFFAOYSA-N -1 3 385.436 -0.407 20 0 GBADHM CC(C)(C)n1nnc(CCN2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573893496 950890776 /nfs/dbraw/zinc/89/07/76/950890776.db2.gz IQPNNZNMRBHZFG-UHFFFAOYSA-N -1 3 385.436 -0.407 20 0 GBADHM CC(C)(C)n1nnc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573893511 950889828 /nfs/dbraw/zinc/88/98/28/950889828.db2.gz JKXMKFFCFHBBEV-UHFFFAOYSA-N -1 3 385.392 -0.809 20 0 GBADHM CC(C)(C)n1nnc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573893511 950889815 /nfs/dbraw/zinc/88/98/15/950889815.db2.gz JKXMKFFCFHBBEV-UHFFFAOYSA-N -1 3 385.392 -0.809 20 0 GBADHM CC(C)(C)n1nnc(CN2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573893515 950887920 /nfs/dbraw/zinc/88/79/20/950887920.db2.gz JWEQJGBEWUITBK-UHFFFAOYSA-N -1 3 385.436 -0.202 20 0 GBADHM CC(C)(C)n1nnc(CN2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573893515 950887904 /nfs/dbraw/zinc/88/79/04/950887904.db2.gz JWEQJGBEWUITBK-UHFFFAOYSA-N -1 3 385.436 -0.202 20 0 GBADHM CC(C)(C)n1nnc(CN[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573893537 950888813 /nfs/dbraw/zinc/88/88/13/950888813.db2.gz KAEKCGAPALDUNK-JTQLQIEISA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573893537 950888782 /nfs/dbraw/zinc/88/87/82/950888782.db2.gz KAEKCGAPALDUNK-JTQLQIEISA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573893538 950890161 /nfs/dbraw/zinc/89/01/61/950890161.db2.gz KAEKCGAPALDUNK-SNVBAGLBSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573893538 950890145 /nfs/dbraw/zinc/89/01/45/950890145.db2.gz KAEKCGAPALDUNK-SNVBAGLBSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573893555 950888425 /nfs/dbraw/zinc/88/84/25/950888425.db2.gz KYJVCWHFMCWZDX-UHFFFAOYSA-N -1 3 385.436 -0.202 20 0 GBADHM CC(C)(C)n1nnc(CN2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573893555 950888409 /nfs/dbraw/zinc/88/84/09/950888409.db2.gz KYJVCWHFMCWZDX-UHFFFAOYSA-N -1 3 385.436 -0.202 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573893559 950888871 /nfs/dbraw/zinc/88/88/71/950888871.db2.gz LBZUOTUWEOZCOY-JTQLQIEISA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573893559 950888853 /nfs/dbraw/zinc/88/88/53/950888853.db2.gz LBZUOTUWEOZCOY-JTQLQIEISA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573893560 950888477 /nfs/dbraw/zinc/88/84/77/950888477.db2.gz LBZUOTUWEOZCOY-SNVBAGLBSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573893560 950888458 /nfs/dbraw/zinc/88/84/58/950888458.db2.gz LBZUOTUWEOZCOY-SNVBAGLBSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001573893582 950888694 /nfs/dbraw/zinc/88/86/94/950888694.db2.gz LWZZMGBCKNJANE-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001573893582 950888677 /nfs/dbraw/zinc/88/86/77/950888677.db2.gz LWZZMGBCKNJANE-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)n1 ZINC001573893583 950889993 /nfs/dbraw/zinc/88/99/93/950889993.db2.gz LWZZMGBCKNJANE-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)n1 ZINC001573893583 950889979 /nfs/dbraw/zinc/88/99/79/950889979.db2.gz LWZZMGBCKNJANE-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1nnc(C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573893585 950890299 /nfs/dbraw/zinc/89/02/99/950890299.db2.gz MDGJDIUVSSVWJR-UHFFFAOYSA-N -1 3 385.392 -0.809 20 0 GBADHM CC(C)(C)n1nnc(C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573893585 950890286 /nfs/dbraw/zinc/89/02/86/950890286.db2.gz MDGJDIUVSSVWJR-UHFFFAOYSA-N -1 3 385.392 -0.809 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573893588 950891035 /nfs/dbraw/zinc/89/10/35/950891035.db2.gz MFTFDFYSDHXHNE-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573893588 950891016 /nfs/dbraw/zinc/89/10/16/950891016.db2.gz MFTFDFYSDHXHNE-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573893597 950893596 /nfs/dbraw/zinc/89/35/96/950893596.db2.gz MUDYZLFVAGNSSJ-UHFFFAOYSA-N -1 3 385.392 -0.809 20 0 GBADHM CC(C)(C)n1nnc(C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573893597 950893579 /nfs/dbraw/zinc/89/35/79/950893579.db2.gz MUDYZLFVAGNSSJ-UHFFFAOYSA-N -1 3 385.392 -0.809 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573893599 950893479 /nfs/dbraw/zinc/89/34/79/950893479.db2.gz MWWAUJMSAZUEBV-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573893599 950893466 /nfs/dbraw/zinc/89/34/66/950893466.db2.gz MWWAUJMSAZUEBV-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573893600 950895453 /nfs/dbraw/zinc/89/54/53/950895453.db2.gz MWWAUJMSAZUEBV-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573893600 950895440 /nfs/dbraw/zinc/89/54/40/950895440.db2.gz MWWAUJMSAZUEBV-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573893625 950893652 /nfs/dbraw/zinc/89/36/52/950893652.db2.gz NSAPINKEIXTVSY-UHFFFAOYSA-N -1 3 385.392 -0.809 20 0 GBADHM CC(C)(C)n1nnc(C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573893625 950893641 /nfs/dbraw/zinc/89/36/41/950893641.db2.gz NSAPINKEIXTVSY-UHFFFAOYSA-N -1 3 385.392 -0.809 20 0 GBADHM CC(C)(C)n1nnc(CN[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573893628 950894388 /nfs/dbraw/zinc/89/43/88/950894388.db2.gz NXTHSMFLSXHNPJ-PHIMTYICSA-N -1 3 385.436 -0.013 20 0 GBADHM CC(C)(C)n1nnc(CN[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573893628 950894371 /nfs/dbraw/zinc/89/43/71/950894371.db2.gz NXTHSMFLSXHNPJ-PHIMTYICSA-N -1 3 385.436 -0.013 20 0 GBADHM CC(C)(C)n1nnnc1CN[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573893638 950892649 /nfs/dbraw/zinc/89/26/49/950892649.db2.gz OOXCZWXXAVFNES-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573893638 950892634 /nfs/dbraw/zinc/89/26/34/950892634.db2.gz OOXCZWXXAVFNES-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573893639 950894602 /nfs/dbraw/zinc/89/46/02/950894602.db2.gz OOXCZWXXAVFNES-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573893639 950894587 /nfs/dbraw/zinc/89/45/87/950894587.db2.gz OOXCZWXXAVFNES-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CNC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573893659 950894313 /nfs/dbraw/zinc/89/43/13/950894313.db2.gz PVFWRSJLUPENTD-UHFFFAOYSA-N -1 3 385.436 -0.012 20 0 GBADHM CC(C)(C)n1nnnc1CNC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573893659 950894295 /nfs/dbraw/zinc/89/42/95/950894295.db2.gz PVFWRSJLUPENTD-UHFFFAOYSA-N -1 3 385.436 -0.012 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573893666 950892804 /nfs/dbraw/zinc/89/28/04/950892804.db2.gz QGASZFLFEUUKLT-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573893666 950892791 /nfs/dbraw/zinc/89/27/91/950892791.db2.gz QGASZFLFEUUKLT-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cnc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@@H]2O)n1 ZINC001573893671 950896102 /nfs/dbraw/zinc/89/61/02/950896102.db2.gz QTPOGEFCSKAEKA-OLZOCXBDSA-N -1 3 398.431 -0.412 20 0 GBADHM CC(C)(C)n1cnc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@@H]2O)n1 ZINC001573893671 950896093 /nfs/dbraw/zinc/89/60/93/950896093.db2.gz QTPOGEFCSKAEKA-OLZOCXBDSA-N -1 3 398.431 -0.412 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001573893679 950898530 /nfs/dbraw/zinc/89/85/30/950898530.db2.gz RBCSKIGXHBBOBJ-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001573893679 950898513 /nfs/dbraw/zinc/89/85/13/950898513.db2.gz RBCSKIGXHBBOBJ-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001573893680 950898293 /nfs/dbraw/zinc/89/82/93/950898293.db2.gz RBCSKIGXHBBOBJ-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001573893680 950898277 /nfs/dbraw/zinc/89/82/77/950898277.db2.gz RBCSKIGXHBBOBJ-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1nnc(CNC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)n1 ZINC001573893681 950897307 /nfs/dbraw/zinc/89/73/07/950897307.db2.gz RCQKNHSPADIMNY-UHFFFAOYSA-N -1 3 385.436 -0.012 20 0 GBADHM CC(C)(C)n1nnc(CNC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)n1 ZINC001573893681 950897293 /nfs/dbraw/zinc/89/72/93/950897293.db2.gz RCQKNHSPADIMNY-UHFFFAOYSA-N -1 3 385.436 -0.012 20 0 GBADHM CC(C)(C)n1nnc(CN[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573893705 950901103 /nfs/dbraw/zinc/90/11/03/950901103.db2.gz RWKUKJNQEYRFSH-PHIMTYICSA-N -1 3 385.436 -0.013 20 0 GBADHM CC(C)(C)n1nnc(CN[C@H]2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573893705 950901083 /nfs/dbraw/zinc/90/10/83/950901083.db2.gz RWKUKJNQEYRFSH-PHIMTYICSA-N -1 3 385.436 -0.013 20 0 GBADHM CC(C)(C)n1nnc(CN[C@H]2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573893706 950900458 /nfs/dbraw/zinc/90/04/58/950900458.db2.gz RWKUKJNQEYRFSH-XYPYZODXSA-N -1 3 385.436 -0.013 20 0 GBADHM CC(C)(C)n1nnc(CN[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573893706 950900446 /nfs/dbraw/zinc/90/04/46/950900446.db2.gz RWKUKJNQEYRFSH-XYPYZODXSA-N -1 3 385.436 -0.013 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573893714 950897068 /nfs/dbraw/zinc/89/70/68/950897068.db2.gz SPTJIRLWXLMMTC-UHFFFAOYSA-N -1 3 385.436 -0.202 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573893714 950897046 /nfs/dbraw/zinc/89/70/46/950897046.db2.gz SPTJIRLWXLMMTC-UHFFFAOYSA-N -1 3 385.436 -0.202 20 0 GBADHM CC(C)(C)n1nnc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573893748 950899276 /nfs/dbraw/zinc/89/92/76/950899276.db2.gz UMHHDNBNGTYQPF-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573893748 950899251 /nfs/dbraw/zinc/89/92/51/950899251.db2.gz UMHHDNBNGTYQPF-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573893749 950898727 /nfs/dbraw/zinc/89/87/27/950898727.db2.gz UMHHDNBNGTYQPF-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573893749 950898709 /nfs/dbraw/zinc/89/87/09/950898709.db2.gz UMHHDNBNGTYQPF-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CNC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)n1 ZINC001573893762 950906387 /nfs/dbraw/zinc/90/63/87/950906387.db2.gz VDGWMYRPBWOBQA-UHFFFAOYSA-N -1 3 385.436 -0.012 20 0 GBADHM CC(C)(C)n1nnc(CNC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)n1 ZINC001573893762 950906369 /nfs/dbraw/zinc/90/63/69/950906369.db2.gz VDGWMYRPBWOBQA-UHFFFAOYSA-N -1 3 385.436 -0.012 20 0 GBADHM CC(C)(C)n1ncnc1CNC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573893764 950902167 /nfs/dbraw/zinc/90/21/67/950902167.db2.gz VJUUPYUZKGOKNW-LLVKDONJSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1ncnc1CNC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573893764 950902159 /nfs/dbraw/zinc/90/21/59/950902159.db2.gz VJUUPYUZKGOKNW-LLVKDONJSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1ncnc1CNC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573893765 950904621 /nfs/dbraw/zinc/90/46/21/950904621.db2.gz VJUUPYUZKGOKNW-NSHDSACASA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1ncnc1CNC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573893765 950904605 /nfs/dbraw/zinc/90/46/05/950904605.db2.gz VJUUPYUZKGOKNW-NSHDSACASA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1ncnc1CN[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573893776 950904025 /nfs/dbraw/zinc/90/40/25/950904025.db2.gz VYMIBOZICBSOMN-LLVKDONJSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1ncnc1CN[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573893776 950904009 /nfs/dbraw/zinc/90/40/09/950904009.db2.gz VYMIBOZICBSOMN-LLVKDONJSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1ncnc1CN[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573893777 950905400 /nfs/dbraw/zinc/90/54/00/950905400.db2.gz VYMIBOZICBSOMN-NSHDSACASA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1ncnc1CN[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573893777 950905379 /nfs/dbraw/zinc/90/53/79/950905379.db2.gz VYMIBOZICBSOMN-NSHDSACASA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1nnc(CC(=O)NCCNc2ncc(-c3nn[n-]n3)cc2F)n1 ZINC001573893800 950902519 /nfs/dbraw/zinc/90/25/19/950902519.db2.gz WWSGYBDEOVSBCB-UHFFFAOYSA-N -1 3 389.399 -0.087 20 0 GBADHM CC(C)(C)n1nnc(CC(=O)NCCNc2ncc(-c3nnn[n-]3)cc2F)n1 ZINC001573893800 950902507 /nfs/dbraw/zinc/90/25/07/950902507.db2.gz WWSGYBDEOVSBCB-UHFFFAOYSA-N -1 3 389.399 -0.087 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573893811 950906264 /nfs/dbraw/zinc/90/62/64/950906264.db2.gz XRBGKKAVPBJMEP-UHFFFAOYSA-N -1 3 385.436 -0.202 20 0 GBADHM CC(C)(C)n1nnnc1CN1CC(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573893811 950906241 /nfs/dbraw/zinc/90/62/41/950906241.db2.gz XRBGKKAVPBJMEP-UHFFFAOYSA-N -1 3 385.436 -0.202 20 0 GBADHM CC(C)(C)n1nnnc1CN[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573893837 950910440 /nfs/dbraw/zinc/91/04/40/950910440.db2.gz YYPKOQZTEAIZQM-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnnc1CN[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573893838 950908220 /nfs/dbraw/zinc/90/82/20/950908220.db2.gz YYPKOQZTEAIZQM-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1ncnc1CN[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573893839 950908109 /nfs/dbraw/zinc/90/81/09/950908109.db2.gz YZOGFKQPLFRMTH-LLVKDONJSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1ncnc1CN[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573893839 950908095 /nfs/dbraw/zinc/90/80/95/950908095.db2.gz YZOGFKQPLFRMTH-LLVKDONJSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1ncnc1CN[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573893840 950909186 /nfs/dbraw/zinc/90/91/86/950909186.db2.gz YZOGFKQPLFRMTH-NSHDSACASA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1ncnc1CN[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573893840 950909163 /nfs/dbraw/zinc/90/91/63/950909163.db2.gz YZOGFKQPLFRMTH-NSHDSACASA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1nnc(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)n1 ZINC001573893853 950908320 /nfs/dbraw/zinc/90/83/20/950908320.db2.gz ZORWCMNVXICDDA-UHFFFAOYSA-N -1 3 383.420 -0.034 20 0 GBADHM CC(C)(C)n1nnc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)n1 ZINC001573893853 950908306 /nfs/dbraw/zinc/90/83/06/950908306.db2.gz ZORWCMNVXICDDA-UHFFFAOYSA-N -1 3 383.420 -0.034 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573893856 950907408 /nfs/dbraw/zinc/90/74/08/950907408.db2.gz ZQDAWOQCORTLHA-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573893856 950907394 /nfs/dbraw/zinc/90/73/94/950907394.db2.gz ZQDAWOQCORTLHA-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001573893857 950909244 /nfs/dbraw/zinc/90/92/44/950909244.db2.gz ZQDAWOQCORTLHA-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001573893857 950909225 /nfs/dbraw/zinc/90/92/25/950909225.db2.gz ZQDAWOQCORTLHA-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573893870 950907650 /nfs/dbraw/zinc/90/76/50/950907650.db2.gz ZYVNMUDQQVRQGQ-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573893870 950907635 /nfs/dbraw/zinc/90/76/35/950907635.db2.gz ZYVNMUDQQVRQGQ-LLVKDONJSA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN[C@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573893871 950910052 /nfs/dbraw/zinc/91/00/52/950910052.db2.gz ZYVNMUDQQVRQGQ-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1nnc(CN[C@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573893871 950910040 /nfs/dbraw/zinc/91/00/40/950910040.db2.gz ZYVNMUDQQVRQGQ-NSHDSACASA-N -1 3 385.436 -0.059 20 0 GBADHM CC(C)(C)n1cc(CN[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001573893879 950908693 /nfs/dbraw/zinc/90/86/93/950908693.db2.gz AGEWWJVZWJLMGI-GFCCVEGCSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(CN[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001573893879 950908679 /nfs/dbraw/zinc/90/86/79/950908679.db2.gz AGEWWJVZWJLMGI-GFCCVEGCSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(CN[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001573893880 950910012 /nfs/dbraw/zinc/91/00/12/950910012.db2.gz AGEWWJVZWJLMGI-LBPRGKRZSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(CN[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001573893880 950909995 /nfs/dbraw/zinc/90/99/95/950909995.db2.gz AGEWWJVZWJLMGI-LBPRGKRZSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001573893891 950909564 /nfs/dbraw/zinc/90/95/64/950909564.db2.gz AVEFYSNBKMTVAO-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001573893891 950909544 /nfs/dbraw/zinc/90/95/44/950909544.db2.gz AVEFYSNBKMTVAO-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001573893892 950907274 /nfs/dbraw/zinc/90/72/74/950907274.db2.gz AVEFYSNBKMTVAO-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001573893892 950907261 /nfs/dbraw/zinc/90/72/61/950907261.db2.gz AVEFYSNBKMTVAO-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001573893897 950908616 /nfs/dbraw/zinc/90/86/16/950908616.db2.gz BBZPXNNQAXABCF-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001573893897 950908597 /nfs/dbraw/zinc/90/85/97/950908597.db2.gz BBZPXNNQAXABCF-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cnc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573893917 950913618 /nfs/dbraw/zinc/91/36/18/950913618.db2.gz CBVNOJQALILJPB-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cnc(C(=O)N2CC(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573893917 950913596 /nfs/dbraw/zinc/91/35/96/950913596.db2.gz CBVNOJQALILJPB-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nn[n-]n3)cn2)nn1 ZINC001573893923 950915073 /nfs/dbraw/zinc/91/50/73/950915073.db2.gz CFQFKZRNNFJVSZ-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ccc(-c3nnn[n-]3)cn2)nn1 ZINC001573893923 950915056 /nfs/dbraw/zinc/91/50/56/950915056.db2.gz CFQFKZRNNFJVSZ-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nn[n-]n3)cn2)nn1 ZINC001573893924 950912896 /nfs/dbraw/zinc/91/28/96/950912896.db2.gz CFQFKZRNNFJVSZ-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ccc(-c3nnn[n-]3)cn2)nn1 ZINC001573893924 950912882 /nfs/dbraw/zinc/91/28/82/950912882.db2.gz CFQFKZRNNFJVSZ-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001573893985 950914684 /nfs/dbraw/zinc/91/46/84/950914684.db2.gz HPKOKWBKCWEPFL-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001573893985 950914672 /nfs/dbraw/zinc/91/46/72/950914672.db2.gz HPKOKWBKCWEPFL-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001573893988 950914955 /nfs/dbraw/zinc/91/49/55/950914955.db2.gz HUNNNMMQLROBDG-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001573893988 950914946 /nfs/dbraw/zinc/91/49/46/950914946.db2.gz HUNNNMMQLROBDG-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)nc2)nn1 ZINC001573893989 950915871 /nfs/dbraw/zinc/91/58/71/950915871.db2.gz HUNNNMMQLROBDG-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)nc2)nn1 ZINC001573893989 950915852 /nfs/dbraw/zinc/91/58/52/950915852.db2.gz HUNNNMMQLROBDG-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nn[n-]n2)nn1 ZINC001573894060 950916887 /nfs/dbraw/zinc/91/68/87/950916887.db2.gz LCAAQQADFSMIDL-JTQLQIEISA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@@H](O)CNc2ncccc2-c2nnn[n-]2)nn1 ZINC001573894060 950916874 /nfs/dbraw/zinc/91/68/74/950916874.db2.gz LCAAQQADFSMIDL-JTQLQIEISA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ncccc2-c2nn[n-]n2)nn1 ZINC001573894061 950919303 /nfs/dbraw/zinc/91/93/03/950919303.db2.gz LCAAQQADFSMIDL-SNVBAGLBSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@H](O)CNc2ncccc2-c2nnn[n-]2)nn1 ZINC001573894061 950919286 /nfs/dbraw/zinc/91/92/86/950919286.db2.gz LCAAQQADFSMIDL-SNVBAGLBSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)nn1 ZINC001573894133 950925017 /nfs/dbraw/zinc/92/50/17/950925017.db2.gz NFGWQZDJXXHIHK-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)nn1 ZINC001573894133 950925003 /nfs/dbraw/zinc/92/50/03/950925003.db2.gz NFGWQZDJXXHIHK-LLVKDONJSA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)nn1 ZINC001573894134 950923699 /nfs/dbraw/zinc/92/36/99/950923699.db2.gz NFGWQZDJXXHIHK-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)nn1 ZINC001573894134 950923693 /nfs/dbraw/zinc/92/36/93/950923693.db2.gz NFGWQZDJXXHIHK-NSHDSACASA-N -1 3 386.420 -0.189 20 0 GBADHM CC(C)(C)n1cc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001573894137 950921478 /nfs/dbraw/zinc/92/14/78/950921478.db2.gz NHSGXBXWBCRLQP-LLVKDONJSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001573894137 950921462 /nfs/dbraw/zinc/92/14/62/950921462.db2.gz NHSGXBXWBCRLQP-LLVKDONJSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(CN[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nn1 ZINC001573894138 950923580 /nfs/dbraw/zinc/92/35/80/950923580.db2.gz NHSGXBXWBCRLQP-NSHDSACASA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(CN[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nn1 ZINC001573894138 950923561 /nfs/dbraw/zinc/92/35/61/950923561.db2.gz NHSGXBXWBCRLQP-NSHDSACASA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001573894161 950923513 /nfs/dbraw/zinc/92/35/13/950923513.db2.gz OEBJCRHPKWBDJH-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cc(C(=O)NC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001573894161 950923502 /nfs/dbraw/zinc/92/35/02/950923502.db2.gz OEBJCRHPKWBDJH-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cc(C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001573894178 950921314 /nfs/dbraw/zinc/92/13/14/950921314.db2.gz PSMYJGCBCIIREZ-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cc(C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001573894178 950921308 /nfs/dbraw/zinc/92/13/08/950921308.db2.gz PSMYJGCBCIIREZ-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001573894186 950928677 /nfs/dbraw/zinc/92/86/77/950928677.db2.gz QJTGYAHZBKQBGQ-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cnc(C(=O)NC2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001573894186 950928658 /nfs/dbraw/zinc/92/86/58/950928658.db2.gz QJTGYAHZBKQBGQ-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cnc(C(=O)N2CC(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001573894192 950929504 /nfs/dbraw/zinc/92/95/04/950929504.db2.gz QRILFXNOCGOPRE-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cnc(C(=O)N2CC(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001573894192 950929491 /nfs/dbraw/zinc/92/94/91/950929491.db2.gz QRILFXNOCGOPRE-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cc(CNC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001573894384 950926760 /nfs/dbraw/zinc/92/67/60/950926760.db2.gz RIKCEIHDPPPUFR-GFCCVEGCSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(CNC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001573894384 950926744 /nfs/dbraw/zinc/92/67/44/950926744.db2.gz RIKCEIHDPPPUFR-GFCCVEGCSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(CNC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001573894387 950926462 /nfs/dbraw/zinc/92/64/62/950926462.db2.gz RIKCEIHDPPPUFR-LBPRGKRZSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(CNC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001573894387 950926449 /nfs/dbraw/zinc/92/64/49/950926449.db2.gz RIKCEIHDPPPUFR-LBPRGKRZSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cnc(C(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001573894455 950926700 /nfs/dbraw/zinc/92/67/00/950926700.db2.gz SCQFBEHAGCULBV-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cnc(C(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001573894455 950926683 /nfs/dbraw/zinc/92/66/83/950926683.db2.gz SCQFBEHAGCULBV-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001573894516 950931960 /nfs/dbraw/zinc/93/19/60/950931960.db2.gz UFGBVPDDHIVESB-GFCCVEGCSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001573894516 950931940 /nfs/dbraw/zinc/93/19/40/950931940.db2.gz UFGBVPDDHIVESB-GFCCVEGCSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nn1 ZINC001573894517 950933807 /nfs/dbraw/zinc/93/38/07/950933807.db2.gz UFGBVPDDHIVESB-LBPRGKRZSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nn1 ZINC001573894517 950933787 /nfs/dbraw/zinc/93/37/87/950933787.db2.gz UFGBVPDDHIVESB-LBPRGKRZSA-N -1 3 388.436 -0.578 20 0 GBADHM CC(C)(C)n1cc(C(=O)N2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001573894794 950936517 /nfs/dbraw/zinc/93/65/17/950936517.db2.gz ZXFSHSKSJJUIDI-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CC(C)(C)n1cc(C(=O)N2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001573894794 950936500 /nfs/dbraw/zinc/93/65/00/950936500.db2.gz ZXFSHSKSJJUIDI-UHFFFAOYSA-N -1 3 384.404 -0.204 20 0 GBADHM CN(C)CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC001573989603 961806733 /nfs/dbraw/zinc/80/67/33/961806733.db2.gz KEPUENLRYHOFFF-UHFFFAOYSA-N -1 3 387.458 -0.612 20 0 GBADHM CN(C)CCN(CC(=O)[O-])C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001573990136 961813605 /nfs/dbraw/zinc/81/36/05/961813605.db2.gz ZGANVHYSXZPVTB-UHFFFAOYSA-N -1 3 386.449 -0.460 20 0 GBADHM CN(C)CCN1C[C@@H](C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CC1=O ZINC001573990718 961822904 /nfs/dbraw/zinc/82/29/04/961822904.db2.gz PJXOFOLDXASEAI-KBPBESRZSA-N -1 3 394.472 -0.679 20 0 GBADHM CN(C)CCN1C[C@H](C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)CC1=O ZINC001573990720 961822507 /nfs/dbraw/zinc/82/25/07/961822507.db2.gz PJXOFOLDXASEAI-KGLIPLIRSA-N -1 3 394.472 -0.679 20 0 GBADHM CN(C)CCN1C[C@@H](C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CC1=O ZINC001573990721 961823867 /nfs/dbraw/zinc/82/38/67/961823867.db2.gz PJXOFOLDXASEAI-UONOGXRCSA-N -1 3 394.472 -0.679 20 0 GBADHM CN(C)CCN1C[C@H](C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)CC1=O ZINC001573990722 961822169 /nfs/dbraw/zinc/82/21/69/961822169.db2.gz PJXOFOLDXASEAI-ZIAGYGMSSA-N -1 3 394.472 -0.679 20 0 GBADHM CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1 ZINC001574029578 961994607 /nfs/dbraw/zinc/99/46/07/961994607.db2.gz AHDZJGBQNPGMNZ-NEPJUHHUSA-N -1 3 394.394 -0.398 20 0 GBADHM CN1CC[N@H+](C)CC(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1 ZINC001574029578 961994593 /nfs/dbraw/zinc/99/45/93/961994593.db2.gz AHDZJGBQNPGMNZ-NEPJUHHUSA-N -1 3 394.394 -0.398 20 0 GBADHM CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1 ZINC001574029579 961993142 /nfs/dbraw/zinc/99/31/42/961993142.db2.gz AHDZJGBQNPGMNZ-NWDGAFQWSA-N -1 3 394.394 -0.398 20 0 GBADHM CN1CC[N@H+](C)CC(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1 ZINC001574029579 961993114 /nfs/dbraw/zinc/99/31/14/961993114.db2.gz AHDZJGBQNPGMNZ-NWDGAFQWSA-N -1 3 394.394 -0.398 20 0 GBADHM CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1 ZINC001574029580 961993009 /nfs/dbraw/zinc/99/30/09/961993009.db2.gz AHDZJGBQNPGMNZ-RYUDHWBXSA-N -1 3 394.394 -0.398 20 0 GBADHM CN1CC[N@H+](C)CC(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]2C(=O)[O-])C1 ZINC001574029580 961992974 /nfs/dbraw/zinc/99/29/74/961992974.db2.gz AHDZJGBQNPGMNZ-RYUDHWBXSA-N -1 3 394.394 -0.398 20 0 GBADHM CN1CC[N@@H+](C)CC(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1 ZINC001574029581 961995178 /nfs/dbraw/zinc/99/51/78/961995178.db2.gz AHDZJGBQNPGMNZ-VXGBXAGGSA-N -1 3 394.394 -0.398 20 0 GBADHM CN1CC[N@H+](C)CC(C(=O)N2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])C1 ZINC001574029581 961995170 /nfs/dbraw/zinc/99/51/70/961995170.db2.gz AHDZJGBQNPGMNZ-VXGBXAGGSA-N -1 3 394.394 -0.398 20 0 GBADHM CC(C)[C@H](O)CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001574081149 948817143 /nfs/dbraw/zinc/81/71/43/948817143.db2.gz XHMYSYMYTLVBNO-CYBMUJFWSA-N -1 3 382.446 -0.332 20 0 GBADHM CC(C)[C@H](O)CCNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001574081149 948817127 /nfs/dbraw/zinc/81/71/27/948817127.db2.gz XHMYSYMYTLVBNO-CYBMUJFWSA-N -1 3 382.446 -0.332 20 0 GBADHM CC(C)[C@@H](O)CCNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001574081150 948817741 /nfs/dbraw/zinc/81/77/41/948817741.db2.gz XHMYSYMYTLVBNO-ZDUSSCGKSA-N -1 3 382.446 -0.332 20 0 GBADHM CC(C)[C@@H](O)CCNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001574081150 948817714 /nfs/dbraw/zinc/81/77/14/948817714.db2.gz XHMYSYMYTLVBNO-ZDUSSCGKSA-N -1 3 382.446 -0.332 20 0 GBADHM CC(C)[C@H](O)CCNC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001574081257 948824068 /nfs/dbraw/zinc/82/40/68/948824068.db2.gz ZJJBHHPDCGRTRC-CYBMUJFWSA-N -1 3 382.446 -0.332 20 0 GBADHM CC(C)[C@H](O)CCNC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001574081257 948824053 /nfs/dbraw/zinc/82/40/53/948824053.db2.gz ZJJBHHPDCGRTRC-CYBMUJFWSA-N -1 3 382.446 -0.332 20 0 GBADHM CC(C)[C@@H](O)CCNC(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001574081365 948826708 /nfs/dbraw/zinc/82/67/08/948826708.db2.gz ZJJBHHPDCGRTRC-ZDUSSCGKSA-N -1 3 382.446 -0.332 20 0 GBADHM CC(C)[C@@H](O)CCNC(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001574081365 948826690 /nfs/dbraw/zinc/82/66/90/948826690.db2.gz ZJJBHHPDCGRTRC-ZDUSSCGKSA-N -1 3 382.446 -0.332 20 0 GBADHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC(S(N)(=O)=O)C1 ZINC001574083656 948892156 /nfs/dbraw/zinc/89/21/56/948892156.db2.gz WRMUUYGSNWDTDU-CYBMUJFWSA-N -1 3 380.430 -0.231 20 0 GBADHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC(S(N)(=O)=O)C1 ZINC001574083656 948892142 /nfs/dbraw/zinc/89/21/42/948892142.db2.gz WRMUUYGSNWDTDU-CYBMUJFWSA-N -1 3 380.430 -0.231 20 0 GBADHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N1CC(S(N)(=O)=O)C1 ZINC001574083657 948890763 /nfs/dbraw/zinc/89/07/63/948890763.db2.gz WRMUUYGSNWDTDU-ZDUSSCGKSA-N -1 3 380.430 -0.231 20 0 GBADHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N1CC(S(N)(=O)=O)C1 ZINC001574083657 948890747 /nfs/dbraw/zinc/89/07/47/948890747.db2.gz WRMUUYGSNWDTDU-ZDUSSCGKSA-N -1 3 380.430 -0.231 20 0 GBADHM CC(C)CC(=O)NCCC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574117900 949485374 /nfs/dbraw/zinc/48/53/74/949485374.db2.gz ATWSOQQZGYKOBK-UHFFFAOYSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(C)CC(=O)NCCC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574117900 949485356 /nfs/dbraw/zinc/48/53/56/949485356.db2.gz ATWSOQQZGYKOBK-UHFFFAOYSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574117918 949483385 /nfs/dbraw/zinc/48/33/85/949483385.db2.gz BBKFBXAIODVMAB-LLVKDONJSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574117918 949483369 /nfs/dbraw/zinc/48/33/69/949483369.db2.gz BBKFBXAIODVMAB-LLVKDONJSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574117919 949483264 /nfs/dbraw/zinc/48/32/64/949483264.db2.gz BBKFBXAIODVMAB-NSHDSACASA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574117919 949483248 /nfs/dbraw/zinc/48/32/48/949483248.db2.gz BBKFBXAIODVMAB-NSHDSACASA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574118269 949489488 /nfs/dbraw/zinc/48/94/88/949489488.db2.gz CYDYIAOWMUKLAG-LLVKDONJSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)NC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574118269 949489473 /nfs/dbraw/zinc/48/94/73/949489473.db2.gz CYDYIAOWMUKLAG-LLVKDONJSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)NC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574118270 949487468 /nfs/dbraw/zinc/48/74/68/949487468.db2.gz CYDYIAOWMUKLAG-NSHDSACASA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)NC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574118270 949487456 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949516455 /nfs/dbraw/zinc/51/64/55/949516455.db2.gz RATGXOFLBAPQCV-UHFFFAOYSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574122447 949525864 /nfs/dbraw/zinc/52/58/64/949525864.db2.gz WQLSVBQLNKSQRN-LLVKDONJSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574122447 949525846 /nfs/dbraw/zinc/52/58/46/949525846.db2.gz WQLSVBQLNKSQRN-LLVKDONJSA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574122448 949527601 /nfs/dbraw/zinc/52/76/01/949527601.db2.gz WQLSVBQLNKSQRN-NSHDSACASA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)N[C@@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574122448 949527583 /nfs/dbraw/zinc/52/75/83/949527583.db2.gz WQLSVBQLNKSQRN-NSHDSACASA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574122452 949527876 /nfs/dbraw/zinc/52/78/76/949527876.db2.gz 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GBADHM CC(C)CC(=O)NCCC(=O)NC[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574122457 949525659 /nfs/dbraw/zinc/52/56/59/949525659.db2.gz WYDFZVWWLIIWLF-NSHDSACASA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)NC[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574122457 949525642 /nfs/dbraw/zinc/52/56/42/949525642.db2.gz WYDFZVWWLIIWLF-NSHDSACASA-N -1 3 390.448 -0.018 20 0 GBADHM CC(C)CC(=O)NCCC(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574122616 949530073 /nfs/dbraw/zinc/53/00/73/949530073.db2.gz YUUDPHLBRZIKFV-UHFFFAOYSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(C)CC(=O)NCCC(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574122616 949530055 /nfs/dbraw/zinc/53/00/55/949530055.db2.gz YUUDPHLBRZIKFV-UHFFFAOYSA-N -1 3 390.448 -0.065 20 0 GBADHM CC(C)CC(=O)NCCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574122642 949532411 /nfs/dbraw/zinc/53/24/11/949532411.db2.gz ZOAJCXNZFTWWBA-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)CC(=O)NCCC(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574122642 949532393 /nfs/dbraw/zinc/53/23/93/949532393.db2.gz ZOAJCXNZFTWWBA-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)CC(=O)NCCC(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574122665 949530702 /nfs/dbraw/zinc/53/07/02/949530702.db2.gz ZXPPBSQOPXAFTO-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)CC(=O)NCCC(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574122665 949530688 /nfs/dbraw/zinc/53/06/88/949530688.db2.gz ZXPPBSQOPXAFTO-UHFFFAOYSA-N -1 3 388.432 -0.312 20 0 GBADHM CC(C)C[C@H](C(N)=O)C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574124440 949571348 /nfs/dbraw/zinc/57/13/48/949571348.db2.gz HYUOEPAJJKIWCH-LLVKDONJSA-N -1 3 376.421 -0.469 20 0 GBADHM CC(C)C[C@H](C(N)=O)C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574124440 949571331 /nfs/dbraw/zinc/57/13/31/949571331.db2.gz HYUOEPAJJKIWCH-LLVKDONJSA-N -1 3 376.421 -0.469 20 0 GBADHM CC(C)C[C@@H](C(N)=O)C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574124441 949570106 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CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574150145 950015556 /nfs/dbraw/zinc/01/55/56/950015556.db2.gz YFQIJRIYETUWLS-JQWIXIFHSA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574150145 950015539 /nfs/dbraw/zinc/01/55/39/950015539.db2.gz YFQIJRIYETUWLS-JQWIXIFHSA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574150146 950015353 /nfs/dbraw/zinc/01/53/53/950015353.db2.gz YFQIJRIYETUWLS-PWSUYJOCSA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574150146 950015334 /nfs/dbraw/zinc/01/53/34/950015334.db2.gz YFQIJRIYETUWLS-PWSUYJOCSA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574150147 950017186 /nfs/dbraw/zinc/01/71/86/950017186.db2.gz YFQIJRIYETUWLS-ZYHUDNBSSA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574150147 950017160 /nfs/dbraw/zinc/01/71/60/950017160.db2.gz YFQIJRIYETUWLS-ZYHUDNBSSA-N -1 3 389.420 -0.863 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1COC(=O)N1 ZINC001574150164 950018162 /nfs/dbraw/zinc/01/81/62/950018162.db2.gz YMLQDYIPNMJNHZ-CMPLNLGQSA-N -1 3 390.404 -0.436 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1COC(=O)N1 ZINC001574150164 950018141 /nfs/dbraw/zinc/01/81/41/950018141.db2.gz YMLQDYIPNMJNHZ-CMPLNLGQSA-N -1 3 390.404 -0.436 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574150165 950020657 /nfs/dbraw/zinc/02/06/57/950020657.db2.gz YMLQDYIPNMJNHZ-JQWIXIFHSA-N -1 3 390.404 -0.436 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574150165 950020635 /nfs/dbraw/zinc/02/06/35/950020635.db2.gz YMLQDYIPNMJNHZ-JQWIXIFHSA-N -1 3 390.404 -0.436 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574150166 950022990 /nfs/dbraw/zinc/02/29/90/950022990.db2.gz YMLQDYIPNMJNHZ-PWSUYJOCSA-N -1 3 390.404 -0.436 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574150166 950022968 /nfs/dbraw/zinc/02/29/68/950022968.db2.gz YMLQDYIPNMJNHZ-PWSUYJOCSA-N -1 3 390.404 -0.436 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1COC(=O)N1 ZINC001574150167 950022059 /nfs/dbraw/zinc/02/20/59/950022059.db2.gz YMLQDYIPNMJNHZ-ZYHUDNBSSA-N -1 3 390.404 -0.436 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1COC(=O)N1 ZINC001574150167 950022036 /nfs/dbraw/zinc/02/20/36/950022036.db2.gz YMLQDYIPNMJNHZ-ZYHUDNBSSA-N -1 3 390.404 -0.436 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574150168 950019658 /nfs/dbraw/zinc/01/96/58/950019658.db2.gz YPGJNBRSYCLFER-NWDGAFQWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574150168 950019635 /nfs/dbraw/zinc/01/96/35/950019635.db2.gz YPGJNBRSYCLFER-NWDGAFQWSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574150169 950022859 /nfs/dbraw/zinc/02/28/59/950022859.db2.gz YPGJNBRSYCLFER-VXGBXAGGSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574150169 950022838 /nfs/dbraw/zinc/02/28/38/950022838.db2.gz YPGJNBRSYCLFER-VXGBXAGGSA-N -1 3 388.432 -0.266 20 0 GBADHM CC(C)C[C@H](CNC(=O)Cn1nccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574150206 950020593 /nfs/dbraw/zinc/02/05/93/950020593.db2.gz ZDFACUAVFBDXLW-LLVKDONJSA-N -1 3 386.420 -0.253 20 0 GBADHM CC(C)C[C@H](CNC(=O)Cn1nccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574150206 950020575 /nfs/dbraw/zinc/02/05/75/950020575.db2.gz ZDFACUAVFBDXLW-LLVKDONJSA-N -1 3 386.420 -0.253 20 0 GBADHM CC(C)C[C@@H](CNC(=O)Cn1nccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574150207 950022614 /nfs/dbraw/zinc/02/26/14/950022614.db2.gz ZDFACUAVFBDXLW-NSHDSACASA-N -1 3 386.420 -0.253 20 0 GBADHM CC(C)C[C@@H](CNC(=O)Cn1nccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574150207 950022591 /nfs/dbraw/zinc/02/25/91/950022591.db2.gz ZDFACUAVFBDXLW-NSHDSACASA-N -1 3 386.420 -0.253 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncn(C)n1 ZINC001574150432 950028518 /nfs/dbraw/zinc/02/85/18/950028518.db2.gz ZYOFSEJPPXRMEL-LLVKDONJSA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncn(C)n1 ZINC001574150432 950028500 /nfs/dbraw/zinc/02/85/00/950028500.db2.gz ZYOFSEJPPXRMEL-LLVKDONJSA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ncn(C)n1 ZINC001574150434 950029096 /nfs/dbraw/zinc/02/90/96/950029096.db2.gz ZYOFSEJPPXRMEL-NSHDSACASA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ncn(C)n1 ZINC001574150434 950029070 /nfs/dbraw/zinc/02/90/70/950029070.db2.gz ZYOFSEJPPXRMEL-NSHDSACASA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1ncn(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150583 950032265 /nfs/dbraw/zinc/03/22/65/950032265.db2.gz BSIGIDCBQZQTFZ-LLVKDONJSA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1ncn(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150583 950032243 /nfs/dbraw/zinc/03/22/43/950032243.db2.gz BSIGIDCBQZQTFZ-LLVKDONJSA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574150584 950031942 /nfs/dbraw/zinc/03/19/42/950031942.db2.gz BSIGIDCBQZQTFZ-NSHDSACASA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1ncn(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574150584 950031920 /nfs/dbraw/zinc/03/19/20/950031920.db2.gz BSIGIDCBQZQTFZ-NSHDSACASA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncn(C)n1 ZINC001574150587 950029301 /nfs/dbraw/zinc/02/93/01/950029301.db2.gz BTEDRMBRYRMZFL-JTQLQIEISA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncn(C)n1 ZINC001574150587 950029277 /nfs/dbraw/zinc/02/92/77/950029277.db2.gz BTEDRMBRYRMZFL-JTQLQIEISA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ncn(C)n1 ZINC001574150588 950030955 /nfs/dbraw/zinc/03/09/55/950030955.db2.gz BTEDRMBRYRMZFL-SNVBAGLBSA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncn(C)n1 ZINC001574150588 950030929 /nfs/dbraw/zinc/03/09/29/950030929.db2.gz BTEDRMBRYRMZFL-SNVBAGLBSA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1cnnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574150663 950035942 /nfs/dbraw/zinc/03/59/42/950035942.db2.gz DDRBVWNWYLFWJQ-JTQLQIEISA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1cnnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574150663 950035918 /nfs/dbraw/zinc/03/59/18/950035918.db2.gz DDRBVWNWYLFWJQ-JTQLQIEISA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1cnnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574150664 950037403 /nfs/dbraw/zinc/03/74/03/950037403.db2.gz DDRBVWNWYLFWJQ-SNVBAGLBSA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1cnnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574150664 950037382 /nfs/dbraw/zinc/03/73/82/950037382.db2.gz DDRBVWNWYLFWJQ-SNVBAGLBSA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1cnn(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574150896 950044267 /nfs/dbraw/zinc/04/42/67/950044267.db2.gz GNFNIBFQJCQROS-LLVKDONJSA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1cnn(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574150896 950044244 /nfs/dbraw/zinc/04/42/44/950044244.db2.gz GNFNIBFQJCQROS-LLVKDONJSA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574150897 950047426 /nfs/dbraw/zinc/04/74/26/950047426.db2.gz GNFNIBFQJCQROS-NSHDSACASA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1cnn(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574150897 950047409 /nfs/dbraw/zinc/04/74/09/950047409.db2.gz GNFNIBFQJCQROS-NSHDSACASA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(C)n1 ZINC001574151004 950048845 /nfs/dbraw/zinc/04/88/45/950048845.db2.gz JBCCRKPDNGZRQC-JTQLQIEISA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(C)n1 ZINC001574151004 950048824 /nfs/dbraw/zinc/04/88/24/950048824.db2.gz JBCCRKPDNGZRQC-JTQLQIEISA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(C)n1 ZINC001574151005 950048920 /nfs/dbraw/zinc/04/89/20/950048920.db2.gz JBCCRKPDNGZRQC-SNVBAGLBSA-N -1 3 386.420 -0.102 20 0 GBADHM CC(C)C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(C)n1 ZINC001574151005 950048897 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375.393 -0.418 20 0 GBADHM CC(C)c1nc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001574425530 948877526 /nfs/dbraw/zinc/87/75/26/948877526.db2.gz IBHAMNCMANPHIJ-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001574425531 948874427 /nfs/dbraw/zinc/87/44/27/948874427.db2.gz IBHAMNCMANPHIJ-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001574425531 948874411 /nfs/dbraw/zinc/87/44/11/948874411.db2.gz IBHAMNCMANPHIJ-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CNC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001574425651 948881775 /nfs/dbraw/zinc/88/17/75/948881775.db2.gz IYPGSQCHWXOKBD-SECBINFHSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CNC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001574425651 948881753 /nfs/dbraw/zinc/88/17/53/948881753.db2.gz IYPGSQCHWXOKBD-SECBINFHSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CNC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)no1 ZINC001574425652 948880766 /nfs/dbraw/zinc/88/07/66/948880766.db2.gz IYPGSQCHWXOKBD-VIFPVBQESA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CNC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)no1 ZINC001574425652 948880754 /nfs/dbraw/zinc/88/07/54/948880754.db2.gz IYPGSQCHWXOKBD-VIFPVBQESA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001574425680 948878608 /nfs/dbraw/zinc/87/86/08/948878608.db2.gz KIQNHETZZSZSOZ-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001574425680 948878594 /nfs/dbraw/zinc/87/85/94/948878594.db2.gz KIQNHETZZSZSOZ-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001574425681 948881220 /nfs/dbraw/zinc/88/12/20/948881220.db2.gz KIQNHETZZSZSOZ-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001574425681 948881198 /nfs/dbraw/zinc/88/11/98/948881198.db2.gz KIQNHETZZSZSOZ-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001574425696 948879220 /nfs/dbraw/zinc/87/92/20/948879220.db2.gz KRCXCWYSISELJQ-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001574425696 948879201 /nfs/dbraw/zinc/87/92/01/948879201.db2.gz KRCXCWYSISELJQ-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nc(CN2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)no1 ZINC001574426082 948888973 /nfs/dbraw/zinc/88/89/73/948888973.db2.gz QFDZZYRUWAEOFH-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1nc(CN2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)no1 ZINC001574426082 948888958 /nfs/dbraw/zinc/88/89/58/948888958.db2.gz QFDZZYRUWAEOFH-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1nc(CNC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)no1 ZINC001574426507 948887848 /nfs/dbraw/zinc/88/78/48/948887848.db2.gz RZCUSLMUTZVYQB-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CNC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)no1 ZINC001574426507 948887823 /nfs/dbraw/zinc/88/78/23/948887823.db2.gz RZCUSLMUTZVYQB-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CNC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)no1 ZINC001574426512 948888070 /nfs/dbraw/zinc/88/80/70/948888070.db2.gz RZCUSLMUTZVYQB-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CNC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)no1 ZINC001574426512 948888053 /nfs/dbraw/zinc/88/80/53/948888053.db2.gz RZCUSLMUTZVYQB-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)no1 ZINC001574426611 948892938 /nfs/dbraw/zinc/89/29/38/948892938.db2.gz STABWKMMKKEBMV-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1nc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)no1 ZINC001574426611 948892929 /nfs/dbraw/zinc/89/29/29/948892929.db2.gz STABWKMMKKEBMV-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1nc(CNC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001574426630 948893581 /nfs/dbraw/zinc/89/35/81/948893581.db2.gz UBHWBAHOUIFVRX-LLVKDONJSA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nc(CNC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001574426630 948893567 /nfs/dbraw/zinc/89/35/67/948893567.db2.gz UBHWBAHOUIFVRX-LLVKDONJSA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nc(CNC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)no1 ZINC001574426631 948891172 /nfs/dbraw/zinc/89/11/72/948891172.db2.gz UBHWBAHOUIFVRX-NSHDSACASA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nc(CNC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)no1 ZINC001574426631 948891155 /nfs/dbraw/zinc/89/11/55/948891155.db2.gz UBHWBAHOUIFVRX-NSHDSACASA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nc(CN2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)no1 ZINC001574426927 948896407 /nfs/dbraw/zinc/89/64/07/948896407.db2.gz WXKUGPWZMZYYFY-NEPJUHHUSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nc(CN2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)no1 ZINC001574426927 948896396 /nfs/dbraw/zinc/89/63/96/948896396.db2.gz WXKUGPWZMZYYFY-NEPJUHHUSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)no1 ZINC001574426928 948897173 /nfs/dbraw/zinc/89/71/73/948897173.db2.gz WXKUGPWZMZYYFY-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)no1 ZINC001574426928 948897163 /nfs/dbraw/zinc/89/71/63/948897163.db2.gz WXKUGPWZMZYYFY-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574431815 948925540 /nfs/dbraw/zinc/92/55/40/948925540.db2.gz CFEIWWSZYZLJLX-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574431815 948925531 /nfs/dbraw/zinc/92/55/31/948925531.db2.gz CFEIWWSZYZLJLX-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574431827 948923970 /nfs/dbraw/zinc/92/39/70/948923970.db2.gz CFEIWWSZYZLJLX-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574431827 948923960 /nfs/dbraw/zinc/92/39/60/948923960.db2.gz CFEIWWSZYZLJLX-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432215 948928120 /nfs/dbraw/zinc/92/81/20/948928120.db2.gz FOUKZNKJFBYKIJ-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432215 948928113 /nfs/dbraw/zinc/92/81/13/948928113.db2.gz FOUKZNKJFBYKIJ-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574432216 948927964 /nfs/dbraw/zinc/92/79/64/948927964.db2.gz FOUKZNKJFBYKIJ-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574432216 948927954 /nfs/dbraw/zinc/92/79/54/948927954.db2.gz FOUKZNKJFBYKIJ-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574432269 948932365 /nfs/dbraw/zinc/93/23/65/948932365.db2.gz HXSRMEDTPIHLKJ-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574432269 948932352 /nfs/dbraw/zinc/93/23/52/948932352.db2.gz HXSRMEDTPIHLKJ-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574432270 948931364 /nfs/dbraw/zinc/93/13/64/948931364.db2.gz HXSRMEDTPIHLKJ-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1 ZINC001574432270 948931355 /nfs/dbraw/zinc/93/13/55/948931355.db2.gz HXSRMEDTPIHLKJ-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574432276 948931157 /nfs/dbraw/zinc/93/11/57/948931157.db2.gz IJWJBXPXPRCUMX-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574432276 948931144 /nfs/dbraw/zinc/93/11/44/948931144.db2.gz IJWJBXPXPRCUMX-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](O)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574432277 948930896 /nfs/dbraw/zinc/93/08/96/948930896.db2.gz IJWJBXPXPRCUMX-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](O)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574432277 948930883 /nfs/dbraw/zinc/93/08/83/948930883.db2.gz IJWJBXPXPRCUMX-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574432459 948931264 /nfs/dbraw/zinc/93/12/64/948931264.db2.gz JYSPXZDCTOEWEL-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574432459 948931251 /nfs/dbraw/zinc/93/12/51/948931251.db2.gz JYSPXZDCTOEWEL-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nn[n-]n1 ZINC001574432461 948933110 /nfs/dbraw/zinc/93/31/10/948933110.db2.gz JYSPXZDCTOEWEL-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1nccnc1-c1nnn[n-]1 ZINC001574432461 948933098 /nfs/dbraw/zinc/93/30/98/948933098.db2.gz JYSPXZDCTOEWEL-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574432487 948934893 /nfs/dbraw/zinc/93/48/93/948934893.db2.gz KVJNFEJQPMSLQL-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574432487 948934883 /nfs/dbraw/zinc/93/48/83/948934883.db2.gz KVJNFEJQPMSLQL-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574432488 948936654 /nfs/dbraw/zinc/93/66/54/948936654.db2.gz KVJNFEJQPMSLQL-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574432488 948936640 /nfs/dbraw/zinc/93/66/40/948936640.db2.gz KVJNFEJQPMSLQL-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574432530 948934719 /nfs/dbraw/zinc/93/47/19/948934719.db2.gz MCDZYJKSLGMXAR-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574432530 948934711 /nfs/dbraw/zinc/93/47/11/948934711.db2.gz MCDZYJKSLGMXAR-LLVKDONJSA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574432531 948935806 /nfs/dbraw/zinc/93/58/06/948935806.db2.gz MCDZYJKSLGMXAR-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nccn1CC(=O)NC[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1 ZINC001574432531 948935793 /nfs/dbraw/zinc/93/57/93/948935793.db2.gz MCDZYJKSLGMXAR-NSHDSACASA-N -1 3 386.420 -0.434 20 0 GBADHM CC(C)c1nnc(CN2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)o1 ZINC001574432704 948940405 /nfs/dbraw/zinc/94/04/05/948940405.db2.gz BCCGTEPSNWNZDN-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1nnc(CN2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)o1 ZINC001574432704 948940399 /nfs/dbraw/zinc/94/03/99/948940399.db2.gz BCCGTEPSNWNZDN-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1nnc(CN2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001574432815 948941098 /nfs/dbraw/zinc/94/10/98/948941098.db2.gz DUADABOIBDDWKK-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1nnc(CN2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001574432815 948941088 /nfs/dbraw/zinc/94/10/88/948941088.db2.gz DUADABOIBDDWKK-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1nnc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001574433795 948964037 /nfs/dbraw/zinc/96/40/37/948964037.db2.gz QNSSHTHNHUKTBK-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1nnc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001574433795 948964026 /nfs/dbraw/zinc/96/40/26/948964026.db2.gz QNSSHTHNHUKTBK-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1nnc(CNC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001574433962 948969638 /nfs/dbraw/zinc/96/96/38/948969638.db2.gz AMBQWKLVSMLUQK-LLVKDONJSA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nnc(CNC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001574433962 948969626 /nfs/dbraw/zinc/96/96/26/948969626.db2.gz AMBQWKLVSMLUQK-LLVKDONJSA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nnc(CNC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001574433963 948970313 /nfs/dbraw/zinc/97/03/13/948970313.db2.gz AMBQWKLVSMLUQK-NSHDSACASA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nnc(CNC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001574433963 948970300 /nfs/dbraw/zinc/97/03/00/948970300.db2.gz AMBQWKLVSMLUQK-NSHDSACASA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nnnn1CC(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574434006 948975003 /nfs/dbraw/zinc/97/50/03/948975003.db2.gz CBCXSHUCOZFMKF-UHFFFAOYSA-N -1 3 387.408 -0.807 20 0 GBADHM CC(C)c1nnnn1CC(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574434006 948974996 /nfs/dbraw/zinc/97/49/96/948974996.db2.gz CBCXSHUCOZFMKF-UHFFFAOYSA-N -1 3 387.408 -0.807 20 0 GBADHM CC(C)c1nnnn1CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574434037 948972843 /nfs/dbraw/zinc/97/28/43/948972843.db2.gz DKDXIKZTVNTDOT-UHFFFAOYSA-N -1 3 387.408 -0.807 20 0 GBADHM CC(C)c1nnnn1CC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574434037 948972828 /nfs/dbraw/zinc/97/28/28/948972828.db2.gz DKDXIKZTVNTDOT-UHFFFAOYSA-N -1 3 387.408 -0.807 20 0 GBADHM CC(C)c1nnc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001574434264 948976444 /nfs/dbraw/zinc/97/64/44/948976444.db2.gz FVNBXCDMHOSMSW-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nnc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001574434264 948976434 /nfs/dbraw/zinc/97/64/34/948976434.db2.gz FVNBXCDMHOSMSW-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nnc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001574434265 948977032 /nfs/dbraw/zinc/97/70/32/948977032.db2.gz FVNBXCDMHOSMSW-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nnc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001574434265 948977022 /nfs/dbraw/zinc/97/70/22/948977022.db2.gz FVNBXCDMHOSMSW-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nnc(CN[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001574434408 948978849 /nfs/dbraw/zinc/97/88/49/948978849.db2.gz JHQIMXKEZFMZBN-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nnc(CN[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001574434408 948978835 /nfs/dbraw/zinc/97/88/35/948978835.db2.gz JHQIMXKEZFMZBN-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nnc(CN[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001574434410 948978708 /nfs/dbraw/zinc/97/87/08/948978708.db2.gz JHQIMXKEZFMZBN-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nnc(CN[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001574434410 948978702 /nfs/dbraw/zinc/97/87/02/948978702.db2.gz JHQIMXKEZFMZBN-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574434583 948982856 /nfs/dbraw/zinc/98/28/56/948982856.db2.gz KRCCTJDEDFTVGY-GFCCVEGCSA-N -1 3 383.420 -0.233 20 0 GBADHM CC(C)c1nnnn1CC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574434583 948982840 /nfs/dbraw/zinc/98/28/40/948982840.db2.gz KRCCTJDEDFTVGY-GFCCVEGCSA-N -1 3 383.420 -0.233 20 0 GBADHM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001574434585 948984746 /nfs/dbraw/zinc/98/47/46/948984746.db2.gz KRCCTJDEDFTVGY-LBPRGKRZSA-N -1 3 383.420 -0.233 20 0 GBADHM CC(C)c1nnnn1CC(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001574434585 948984734 /nfs/dbraw/zinc/98/47/34/948984734.db2.gz KRCCTJDEDFTVGY-LBPRGKRZSA-N -1 3 383.420 -0.233 20 0 GBADHM CC(C)c1nnc(CN2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)o1 ZINC001574434625 948985276 /nfs/dbraw/zinc/98/52/76/948985276.db2.gz LDKNGWMUAAKIBB-NEPJUHHUSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nnc(CN2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)o1 ZINC001574434625 948985258 /nfs/dbraw/zinc/98/52/58/948985258.db2.gz LDKNGWMUAAKIBB-NEPJUHHUSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)o1 ZINC001574434627 948982516 /nfs/dbraw/zinc/98/25/16/948982516.db2.gz LDKNGWMUAAKIBB-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)o1 ZINC001574434627 948982504 /nfs/dbraw/zinc/98/25/04/948982504.db2.gz LDKNGWMUAAKIBB-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nnc(CNC[C@H](O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC001574434647 948983940 /nfs/dbraw/zinc/98/39/40/948983940.db2.gz LRRKHROKKUGDAM-JTQLQIEISA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nnc(CNC[C@H](O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC001574434647 948983929 /nfs/dbraw/zinc/98/39/29/948983929.db2.gz LRRKHROKKUGDAM-JTQLQIEISA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nnc(CNC[C@@H](O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC001574434648 948984615 /nfs/dbraw/zinc/98/46/15/948984615.db2.gz LRRKHROKKUGDAM-SNVBAGLBSA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nnc(CNC[C@@H](O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC001574434648 948984599 /nfs/dbraw/zinc/98/45/99/948984599.db2.gz LRRKHROKKUGDAM-SNVBAGLBSA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nnnn1CC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574434675 948982584 /nfs/dbraw/zinc/98/25/84/948982584.db2.gz MICBDDJNPZXUIO-UHFFFAOYSA-N -1 3 387.408 -0.807 20 0 GBADHM CC(C)c1nnnn1CC(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574434675 948982572 /nfs/dbraw/zinc/98/25/72/948982572.db2.gz MICBDDJNPZXUIO-UHFFFAOYSA-N -1 3 387.408 -0.807 20 0 GBADHM CC(C)c1nnnn1CC(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574434976 948987710 /nfs/dbraw/zinc/98/77/10/948987710.db2.gz NXFBPTMEMWBKNW-UHFFFAOYSA-N -1 3 385.436 -0.034 20 0 GBADHM CC(C)c1nnnn1CC(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574434976 948987691 /nfs/dbraw/zinc/98/76/91/948987691.db2.gz NXFBPTMEMWBKNW-UHFFFAOYSA-N -1 3 385.436 -0.034 20 0 GBADHM CC(C)c1nnnn1CC(=O)N(C)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC001574434985 948988621 /nfs/dbraw/zinc/98/86/21/948988621.db2.gz OAEZRINFVPOJAQ-UHFFFAOYSA-N -1 3 385.436 -0.034 20 0 GBADHM CC(C)c1nnnn1CC(=O)N(C)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC001574434985 948988610 /nfs/dbraw/zinc/98/86/10/948988610.db2.gz OAEZRINFVPOJAQ-UHFFFAOYSA-N -1 3 385.436 -0.034 20 0 GBADHM CC(C)c1nnc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001574434988 948988447 /nfs/dbraw/zinc/98/84/47/948988447.db2.gz OEDXEAUMOQWWHD-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nnc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001574434988 948988433 /nfs/dbraw/zinc/98/84/33/948988433.db2.gz OEDXEAUMOQWWHD-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nnc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC001574434989 948989184 /nfs/dbraw/zinc/98/91/84/948989184.db2.gz OEDXEAUMOQWWHD-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nnc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC001574434989 948989176 /nfs/dbraw/zinc/98/91/76/948989176.db2.gz OEDXEAUMOQWWHD-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1nnnn1CC(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001574435291 948989601 /nfs/dbraw/zinc/98/96/01/948989601.db2.gz RRZWFFYAZXIVTR-UHFFFAOYSA-N -1 3 382.432 -0.023 20 0 GBADHM CC(C)c1nnnn1CC(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001574435291 948989589 /nfs/dbraw/zinc/98/95/89/948989589.db2.gz RRZWFFYAZXIVTR-UHFFFAOYSA-N -1 3 382.432 -0.023 20 0 GBADHM CC(C)c1nnc(CNC[C@@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001574435323 948990015 /nfs/dbraw/zinc/99/00/15/948990015.db2.gz SWLWVWFKPAXCSU-LLVKDONJSA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nnc(CNC[C@@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001574435323 948990005 /nfs/dbraw/zinc/99/00/05/948990005.db2.gz SWLWVWFKPAXCSU-LLVKDONJSA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nnc(CNC[C@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001574435325 948994074 /nfs/dbraw/zinc/99/40/74/948994074.db2.gz SWLWVWFKPAXCSU-NSHDSACASA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nnc(CNC[C@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001574435325 948994066 /nfs/dbraw/zinc/99/40/66/948994066.db2.gz SWLWVWFKPAXCSU-NSHDSACASA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1nnnn1CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574435357 948994030 /nfs/dbraw/zinc/99/40/30/948994030.db2.gz UGDFHYOCLQFSTO-UHFFFAOYSA-N -1 3 387.408 -0.807 20 0 GBADHM CC(C)c1nnnn1CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574435357 948994025 /nfs/dbraw/zinc/99/40/25/948994025.db2.gz UGDFHYOCLQFSTO-UHFFFAOYSA-N -1 3 387.408 -0.807 20 0 GBADHM CC(C)c1nnnn1CC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001574435574 948993835 /nfs/dbraw/zinc/99/38/35/948993835.db2.gz VUPULXPGXOBDGL-UHFFFAOYSA-N -1 3 383.420 -0.280 20 0 GBADHM CC(C)c1nnnn1CC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001574435574 948993823 /nfs/dbraw/zinc/99/38/23/948993823.db2.gz VUPULXPGXOBDGL-UHFFFAOYSA-N -1 3 383.420 -0.280 20 0 GBADHM CC(C)c1nnnn1CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574435581 948994919 /nfs/dbraw/zinc/99/49/19/948994919.db2.gz VYJGHAPQHKCGKI-UHFFFAOYSA-N -1 3 387.408 -0.807 20 0 GBADHM CC(C)c1nnnn1CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574435581 948994914 /nfs/dbraw/zinc/99/49/14/948994914.db2.gz VYJGHAPQHKCGKI-UHFFFAOYSA-N -1 3 387.408 -0.807 20 0 GBADHM CC(C)c1nnc(CNCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)o1 ZINC001574435596 948998488 /nfs/dbraw/zinc/99/84/88/948998488.db2.gz WGJHIEANPCGPNL-UHFFFAOYSA-N -1 3 389.420 -0.075 20 0 GBADHM CC(C)c1nnc(CNCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)o1 ZINC001574435596 948998480 /nfs/dbraw/zinc/99/84/80/948998480.db2.gz WGJHIEANPCGPNL-UHFFFAOYSA-N -1 3 389.420 -0.075 20 0 GBADHM CC(C)c1nnnn1CC(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574435635 948998051 /nfs/dbraw/zinc/99/80/51/948998051.db2.gz WWNJABJODCBPIS-UHFFFAOYSA-N -1 3 389.399 -0.237 20 0 GBADHM CC(C)c1nnnn1CC(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574435635 948998041 /nfs/dbraw/zinc/99/80/41/948998041.db2.gz WWNJABJODCBPIS-UHFFFAOYSA-N -1 3 389.399 -0.237 20 0 GBADHM CC(C)c1nnnn1CC(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001574435677 948999731 /nfs/dbraw/zinc/99/97/31/948999731.db2.gz YBGWZYPVXOGHTM-UHFFFAOYSA-N -1 3 382.432 -0.023 20 0 GBADHM CC(C)c1nnnn1CC(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001574435677 948999723 /nfs/dbraw/zinc/99/97/23/948999723.db2.gz YBGWZYPVXOGHTM-UHFFFAOYSA-N -1 3 382.432 -0.023 20 0 GBADHM CC(C)c1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)o1 ZINC001574435684 948996963 /nfs/dbraw/zinc/99/69/63/948996963.db2.gz YCTLHQFZQIYNON-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nnc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)o1 ZINC001574435684 948996950 /nfs/dbraw/zinc/99/69/50/948996950.db2.gz YCTLHQFZQIYNON-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1nnnn1CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001574435694 948996862 /nfs/dbraw/zinc/99/68/62/948996862.db2.gz YFXKTOAQEBYQPB-UHFFFAOYSA-N -1 3 382.432 -0.023 20 0 GBADHM CC(C)c1nnnn1CC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001574435694 948996842 /nfs/dbraw/zinc/99/68/42/948996842.db2.gz YFXKTOAQEBYQPB-UHFFFAOYSA-N -1 3 382.432 -0.023 20 0 GBADHM CC(C)c1noc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439127 949002112 /nfs/dbraw/zinc/00/21/12/949002112.db2.gz ADFQENHLFYONAF-SECBINFHSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439127 949002095 /nfs/dbraw/zinc/00/20/95/949002095.db2.gz ADFQENHLFYONAF-SECBINFHSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CN[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439128 949000674 /nfs/dbraw/zinc/00/06/74/949000674.db2.gz ADFQENHLFYONAF-VIFPVBQESA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CN[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439128 949000670 /nfs/dbraw/zinc/00/06/70/949000670.db2.gz ADFQENHLFYONAF-VIFPVBQESA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CN2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574439144 949003093 /nfs/dbraw/zinc/00/30/93/949003093.db2.gz AUJQITPVNCZBLC-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1noc(CN2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574439144 949003082 /nfs/dbraw/zinc/00/30/82/949003082.db2.gz AUJQITPVNCZBLC-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1noc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574439148 949001348 /nfs/dbraw/zinc/00/13/48/949001348.db2.gz AXPCETAQRNITEC-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574439148 949001332 /nfs/dbraw/zinc/00/13/32/949001332.db2.gz AXPCETAQRNITEC-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574439149 949001870 /nfs/dbraw/zinc/00/18/70/949001870.db2.gz AXPCETAQRNITEC-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574439149 949001855 /nfs/dbraw/zinc/00/18/55/949001855.db2.gz AXPCETAQRNITEC-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CNC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439489 949007716 /nfs/dbraw/zinc/00/77/16/949007716.db2.gz FRSZTSFETLDKFX-SECBINFHSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CNC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439489 949007700 /nfs/dbraw/zinc/00/77/00/949007700.db2.gz FRSZTSFETLDKFX-SECBINFHSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CNC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574439491 949007236 /nfs/dbraw/zinc/00/72/36/949007236.db2.gz FRSZTSFETLDKFX-VIFPVBQESA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CNC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574439491 949007230 /nfs/dbraw/zinc/00/72/30/949007230.db2.gz FRSZTSFETLDKFX-VIFPVBQESA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574439589 949013615 /nfs/dbraw/zinc/01/36/15/949013615.db2.gz HYXOHFFFMOHEIT-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CNC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574439589 949013598 /nfs/dbraw/zinc/01/35/98/949013598.db2.gz HYXOHFFFMOHEIT-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574439591 949010352 /nfs/dbraw/zinc/01/03/52/949010352.db2.gz HYXOHFFFMOHEIT-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CNC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574439591 949010339 /nfs/dbraw/zinc/01/03/39/949010339.db2.gz HYXOHFFFMOHEIT-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CN2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574439835 949015320 /nfs/dbraw/zinc/01/53/20/949015320.db2.gz JTEXPPSGHXQIKK-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1noc(CN2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574439835 949015302 /nfs/dbraw/zinc/01/53/02/949015302.db2.gz JTEXPPSGHXQIKK-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574440133 949021915 /nfs/dbraw/zinc/02/19/15/949021915.db2.gz OCEAJMAHUNVUSI-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574440133 949021897 /nfs/dbraw/zinc/02/18/97/949021897.db2.gz OCEAJMAHUNVUSI-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1noc(CN2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)n1 ZINC001574440471 949027488 /nfs/dbraw/zinc/02/74/88/949027488.db2.gz PMAMSSIPDPVBMU-NEPJUHHUSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1noc(CN2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)n1 ZINC001574440471 949027469 /nfs/dbraw/zinc/02/74/69/949027469.db2.gz PMAMSSIPDPVBMU-NEPJUHHUSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574440472 949026728 /nfs/dbraw/zinc/02/67/28/949026728.db2.gz PMAMSSIPDPVBMU-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574440472 949026712 /nfs/dbraw/zinc/02/67/12/949026712.db2.gz PMAMSSIPDPVBMU-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1noc(CN2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)n1 ZINC001574440530 949028115 /nfs/dbraw/zinc/02/81/15/949028115.db2.gz QZCPCYORYNMPGX-NEPJUHHUSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1noc(CN2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)n1 ZINC001574440530 949028098 /nfs/dbraw/zinc/02/80/98/949028098.db2.gz QZCPCYORYNMPGX-NEPJUHHUSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574440531 949029217 /nfs/dbraw/zinc/02/92/17/949029217.db2.gz QZCPCYORYNMPGX-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1noc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574440531 949029200 /nfs/dbraw/zinc/02/92/00/949029200.db2.gz QZCPCYORYNMPGX-VXGBXAGGSA-N -1 3 387.404 -0.324 20 0 GBADHM CC(C)c1noc(CNC[C@@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574440565 949034832 /nfs/dbraw/zinc/03/48/32/949034832.db2.gz SMJJBCQQBYZNCE-LLVKDONJSA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1noc(CNC[C@@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574440565 949034800 /nfs/dbraw/zinc/03/48/00/949034800.db2.gz SMJJBCQQBYZNCE-LLVKDONJSA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1noc(CNC[C@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574440567 949033561 /nfs/dbraw/zinc/03/35/61/949033561.db2.gz SMJJBCQQBYZNCE-NSHDSACASA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1noc(CNC[C@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574440567 949033542 /nfs/dbraw/zinc/03/35/42/949033542.db2.gz SMJJBCQQBYZNCE-NSHDSACASA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1noc(CN[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574440809 949037817 /nfs/dbraw/zinc/03/78/17/949037817.db2.gz VNPDXLICUGUHRC-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CN[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574440809 949037796 /nfs/dbraw/zinc/03/77/96/949037796.db2.gz VNPDXLICUGUHRC-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CN[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574440810 949038650 /nfs/dbraw/zinc/03/86/50/949038650.db2.gz VNPDXLICUGUHRC-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CN[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574440810 949038633 /nfs/dbraw/zinc/03/86/33/949038633.db2.gz VNPDXLICUGUHRC-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574440862 949041575 /nfs/dbraw/zinc/04/15/75/949041575.db2.gz WYMGPCOZFQWKQY-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1noc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574440862 949041553 /nfs/dbraw/zinc/04/15/53/949041553.db2.gz WYMGPCOZFQWKQY-UHFFFAOYSA-N -1 3 387.404 -0.322 20 0 GBADHM CC(C)c1noc(CNC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574440881 949041070 /nfs/dbraw/zinc/04/10/70/949041070.db2.gz XSDLAESCVBKQHW-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CNC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574440881 949041043 /nfs/dbraw/zinc/04/10/43/949041043.db2.gz XSDLAESCVBKQHW-JTQLQIEISA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CNC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574440882 949041461 /nfs/dbraw/zinc/04/14/61/949041461.db2.gz XSDLAESCVBKQHW-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CNC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574440882 949041442 /nfs/dbraw/zinc/04/14/42/949041442.db2.gz XSDLAESCVBKQHW-SNVBAGLBSA-N -1 3 375.393 -0.418 20 0 GBADHM CC(C)c1noc(CNC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440894 949041148 /nfs/dbraw/zinc/04/11/48/949041148.db2.gz YIENHMLZCKVHNQ-LLVKDONJSA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1noc(CNC[C@@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574440894 949041122 /nfs/dbraw/zinc/04/11/22/949041122.db2.gz YIENHMLZCKVHNQ-LLVKDONJSA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1noc(CNC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574440895 949043127 /nfs/dbraw/zinc/04/31/27/949043127.db2.gz YIENHMLZCKVHNQ-NSHDSACASA-N -1 3 389.420 -0.076 20 0 GBADHM CC(C)c1noc(CNC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574440895 949043113 /nfs/dbraw/zinc/04/31/13/949043113.db2.gz YIENHMLZCKVHNQ-NSHDSACASA-N -1 3 389.420 -0.076 20 0 GBADHM Cn1c2ccc(S(=O)(=O)NC3CCN(CC(=O)[O-])CC3)cc2n(C)c1=O ZINC001574448280 961457146 /nfs/dbraw/zinc/45/71/46/961457146.db2.gz BIPZMRJXLGTZJF-UHFFFAOYSA-N -1 3 382.442 -0.296 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574451976 949252081 /nfs/dbraw/zinc/25/20/81/949252081.db2.gz CQGPKLHPVFXCHD-GFCCVEGCSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574451976 949252062 /nfs/dbraw/zinc/25/20/62/949252062.db2.gz CQGPKLHPVFXCHD-GFCCVEGCSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cn1 ZINC001574451977 949252402 /nfs/dbraw/zinc/25/24/02/949252402.db2.gz CQGPKLHPVFXCHD-LBPRGKRZSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cn1 ZINC001574451977 949252382 /nfs/dbraw/zinc/25/23/82/949252382.db2.gz CQGPKLHPVFXCHD-LBPRGKRZSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)N2CC(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001574452192 949252454 /nfs/dbraw/zinc/25/24/54/949252454.db2.gz FNPZQHAUEDWIEN-UHFFFAOYSA-N -1 3 384.404 -0.131 20 0 GBADHM CC(C)n1cc(C(=O)N2CC(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001574452192 949252440 /nfs/dbraw/zinc/25/24/40/949252440.db2.gz FNPZQHAUEDWIEN-UHFFFAOYSA-N -1 3 384.404 -0.131 20 0 GBADHM CC(C)n1cc(C(=O)N2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)nn1 ZINC001574452282 949256948 /nfs/dbraw/zinc/25/69/48/949256948.db2.gz JDEANMKRYNYRJL-UHFFFAOYSA-N -1 3 384.404 -0.035 20 0 GBADHM CC(C)n1cc(C(=O)N2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)nn1 ZINC001574452282 949256926 /nfs/dbraw/zinc/25/69/26/949256926.db2.gz JDEANMKRYNYRJL-UHFFFAOYSA-N -1 3 384.404 -0.035 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001574452506 949263108 /nfs/dbraw/zinc/26/31/08/949263108.db2.gz LMPNQBGEZRAHEX-GFCCVEGCSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001574452506 949263088 /nfs/dbraw/zinc/26/30/88/949263088.db2.gz LMPNQBGEZRAHEX-GFCCVEGCSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001574452507 949262351 /nfs/dbraw/zinc/26/23/51/949262351.db2.gz LMPNQBGEZRAHEX-LBPRGKRZSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001574452507 949262330 /nfs/dbraw/zinc/26/23/30/949262330.db2.gz LMPNQBGEZRAHEX-LBPRGKRZSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574452535 949261653 /nfs/dbraw/zinc/26/16/53/949261653.db2.gz MPHIJINJBKZKOM-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574452535 949261629 /nfs/dbraw/zinc/26/16/29/949261629.db2.gz MPHIJINJBKZKOM-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574452536 949265500 /nfs/dbraw/zinc/26/55/00/949265500.db2.gz MPHIJINJBKZKOM-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574452536 949265484 /nfs/dbraw/zinc/26/54/84/949265484.db2.gz MPHIJINJBKZKOM-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001574452836 949271154 /nfs/dbraw/zinc/27/11/54/949271154.db2.gz NULJTNDPPDVPJK-GFCCVEGCSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001574452836 949271130 /nfs/dbraw/zinc/27/11/30/949271130.db2.gz NULJTNDPPDVPJK-GFCCVEGCSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001574452837 949270606 /nfs/dbraw/zinc/27/06/06/949270606.db2.gz NULJTNDPPDVPJK-LBPRGKRZSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001574452837 949270594 /nfs/dbraw/zinc/27/05/94/949270594.db2.gz NULJTNDPPDVPJK-LBPRGKRZSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)N2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)nn1 ZINC001574452888 949275513 /nfs/dbraw/zinc/27/55/13/949275513.db2.gz PYQLKQFZJSXGRV-UHFFFAOYSA-N -1 3 384.404 -0.035 20 0 GBADHM CC(C)n1cc(C(=O)N2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)nn1 ZINC001574452888 949275488 /nfs/dbraw/zinc/27/54/88/949275488.db2.gz PYQLKQFZJSXGRV-UHFFFAOYSA-N -1 3 384.404 -0.035 20 0 GBADHM CC(C)n1cc(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574453003 949279912 /nfs/dbraw/zinc/27/99/12/949279912.db2.gz VFVKEZVBWNQONJ-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574453003 949279888 /nfs/dbraw/zinc/27/98/88/949279888.db2.gz VFVKEZVBWNQONJ-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574453004 949280097 /nfs/dbraw/zinc/28/00/97/949280097.db2.gz VFVKEZVBWNQONJ-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574453004 949280080 /nfs/dbraw/zinc/28/00/80/949280080.db2.gz VFVKEZVBWNQONJ-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574453023 949279842 /nfs/dbraw/zinc/27/98/42/949279842.db2.gz WBXNCSUYHIWJLF-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574453023 949279820 /nfs/dbraw/zinc/27/98/20/949279820.db2.gz WBXNCSUYHIWJLF-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cn1 ZINC001574453024 949281038 /nfs/dbraw/zinc/28/10/38/949281038.db2.gz WBXNCSUYHIWJLF-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cn1 ZINC001574453024 949281025 /nfs/dbraw/zinc/28/10/25/949281025.db2.gz WBXNCSUYHIWJLF-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cc(C(=O)N2CC(N(C)C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001574453163 949280316 /nfs/dbraw/zinc/28/03/16/949280316.db2.gz XSTZSRDYNGJXBH-UHFFFAOYSA-N -1 3 384.404 -0.036 20 0 GBADHM CC(C)n1cc(C(=O)N2CC(N(C)C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001574453163 949280292 /nfs/dbraw/zinc/28/02/92/949280292.db2.gz XSTZSRDYNGJXBH-UHFFFAOYSA-N -1 3 384.404 -0.036 20 0 GBADHM CC(C)n1cc(C(=O)N2CC(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001574453176 949283486 /nfs/dbraw/zinc/28/34/86/949283486.db2.gz YLXSNKDFPKGGDY-UHFFFAOYSA-N -1 3 384.404 -0.131 20 0 GBADHM CC(C)n1cc(C(=O)N2CC(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001574453176 949283464 /nfs/dbraw/zinc/28/34/64/949283464.db2.gz YLXSNKDFPKGGDY-UHFFFAOYSA-N -1 3 384.404 -0.131 20 0 GBADHM CC(C)n1cc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)nn1 ZINC001574453203 949282412 /nfs/dbraw/zinc/28/24/12/949282412.db2.gz ZKQPTFXXJPOUKW-UHFFFAOYSA-N -1 3 384.404 -0.035 20 0 GBADHM CC(C)n1cc(C(=O)N2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)nn1 ZINC001574453203 949282386 /nfs/dbraw/zinc/28/23/86/949282386.db2.gz ZKQPTFXXJPOUKW-UHFFFAOYSA-N -1 3 384.404 -0.035 20 0 GBADHM CC(C)n1cc(C(=O)N2CC(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001574453207 949282909 /nfs/dbraw/zinc/28/29/09/949282909.db2.gz ZMXUDSFFHRKOJK-UHFFFAOYSA-N -1 3 384.404 -0.131 20 0 GBADHM CC(C)n1cc(C(=O)N2CC(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001574453207 949282888 /nfs/dbraw/zinc/28/28/88/949282888.db2.gz ZMXUDSFFHRKOJK-UHFFFAOYSA-N -1 3 384.404 -0.131 20 0 GBADHM CC(C)n1cc(CNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c(=O)[nH]c1=O ZINC001574454749 949289987 /nfs/dbraw/zinc/28/99/87/949289987.db2.gz BYJJTKFEFWJNKT-UHFFFAOYSA-N -1 3 385.388 -0.167 20 0 GBADHM CC(C)n1cc(CNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c(=O)[nH]c1=O ZINC001574454749 949289962 /nfs/dbraw/zinc/28/99/62/949289962.db2.gz BYJJTKFEFWJNKT-UHFFFAOYSA-N -1 3 385.388 -0.167 20 0 GBADHM CC(C)n1cc(CNC[C@@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001574454936 949294627 /nfs/dbraw/zinc/29/46/27/949294627.db2.gz IFUCHHFJPSGUPH-CYBMUJFWSA-N -1 3 388.436 -0.410 20 0 GBADHM CC(C)n1cc(CNC[C@@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001574454936 949294605 /nfs/dbraw/zinc/29/46/05/949294605.db2.gz IFUCHHFJPSGUPH-CYBMUJFWSA-N -1 3 388.436 -0.410 20 0 GBADHM CC(C)n1cc(CNC[C@H](O)CN(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001574454937 949297568 /nfs/dbraw/zinc/29/75/68/949297568.db2.gz IFUCHHFJPSGUPH-ZDUSSCGKSA-N -1 3 388.436 -0.410 20 0 GBADHM CC(C)n1cc(CNC[C@H](O)CN(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001574454937 949297541 /nfs/dbraw/zinc/29/75/41/949297541.db2.gz IFUCHHFJPSGUPH-ZDUSSCGKSA-N -1 3 388.436 -0.410 20 0 GBADHM CC(C)n1cc(CN2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)nn1 ZINC001574455192 949300548 /nfs/dbraw/zinc/30/05/48/949300548.db2.gz MJXFVDMZLASMDD-KGLIPLIRSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1cc(CN2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)nn1 ZINC001574455192 949300525 /nfs/dbraw/zinc/30/05/25/949300525.db2.gz MJXFVDMZLASMDD-KGLIPLIRSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1cc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001574455194 949298741 /nfs/dbraw/zinc/29/87/41/949298741.db2.gz MJXFVDMZLASMDD-ZIAGYGMSSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1cc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001574455194 949298721 /nfs/dbraw/zinc/29/87/21/949298721.db2.gz MJXFVDMZLASMDD-ZIAGYGMSSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1cc(CN2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)nn1 ZINC001574455352 949302597 /nfs/dbraw/zinc/30/25/97/949302597.db2.gz OJOSPFWYTDLVMM-KGLIPLIRSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1cc(CN2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)nn1 ZINC001574455352 949302576 /nfs/dbraw/zinc/30/25/76/949302576.db2.gz OJOSPFWYTDLVMM-KGLIPLIRSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1cc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)nn1 ZINC001574455378 949305027 /nfs/dbraw/zinc/30/50/27/949305027.db2.gz PWJMQNMWUWBYOS-UHFFFAOYSA-N -1 3 386.420 -0.656 20 0 GBADHM CC(C)n1cc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)nn1 ZINC001574455378 949305000 /nfs/dbraw/zinc/30/50/00/949305000.db2.gz PWJMQNMWUWBYOS-UHFFFAOYSA-N -1 3 386.420 -0.656 20 0 GBADHM CC(C)n1cc(CN2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)nn1 ZINC001574455594 949306694 /nfs/dbraw/zinc/30/66/94/949306694.db2.gz QMHFITKPVNDBBU-KGLIPLIRSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1cc(CN2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)nn1 ZINC001574455594 949306671 /nfs/dbraw/zinc/30/66/71/949306671.db2.gz QMHFITKPVNDBBU-KGLIPLIRSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1cc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)nn1 ZINC001574455595 949307713 /nfs/dbraw/zinc/30/77/13/949307713.db2.gz QMHFITKPVNDBBU-ZIAGYGMSSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1cc(CN2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)nn1 ZINC001574455595 949307691 /nfs/dbraw/zinc/30/76/91/949307691.db2.gz QMHFITKPVNDBBU-ZIAGYGMSSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574457333 949323466 /nfs/dbraw/zinc/32/34/66/949323466.db2.gz HECTXYSIAZMCOB-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574457333 949323438 /nfs/dbraw/zinc/32/34/38/949323438.db2.gz HECTXYSIAZMCOB-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574457334 949320133 /nfs/dbraw/zinc/32/01/33/949320133.db2.gz HECTXYSIAZMCOB-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574457334 949320117 /nfs/dbraw/zinc/32/01/17/949320117.db2.gz HECTXYSIAZMCOB-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574457701 949330863 /nfs/dbraw/zinc/33/08/63/949330863.db2.gz MZQCWVHXPNIQCX-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574457701 949330840 /nfs/dbraw/zinc/33/08/40/949330840.db2.gz MZQCWVHXPNIQCX-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574457704 949331746 /nfs/dbraw/zinc/33/17/46/949331746.db2.gz MZQCWVHXPNIQCX-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574457704 949331724 /nfs/dbraw/zinc/33/17/24/949331724.db2.gz MZQCWVHXPNIQCX-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574457713 949330218 /nfs/dbraw/zinc/33/02/18/949330218.db2.gz NFAVZMQQDSUXAP-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574457713 949330198 /nfs/dbraw/zinc/33/01/98/949330198.db2.gz NFAVZMQQDSUXAP-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574457716 949331378 /nfs/dbraw/zinc/33/13/78/949331378.db2.gz NFAVZMQQDSUXAP-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574457716 949331355 /nfs/dbraw/zinc/33/13/55/949331355.db2.gz NFAVZMQQDSUXAP-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H](O)C2)n1 ZINC001574458265 949338689 /nfs/dbraw/zinc/33/86/89/949338689.db2.gz RQCSGYUGZGRONC-KGLIPLIRSA-N -1 3 399.415 -0.413 20 0 GBADHM CC(C)n1ccc(C(=O)N2C[C@@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H](O)C2)n1 ZINC001574458265 949338674 /nfs/dbraw/zinc/33/86/74/949338674.db2.gz RQCSGYUGZGRONC-KGLIPLIRSA-N -1 3 399.415 -0.413 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574458589 949342731 /nfs/dbraw/zinc/34/27/31/949342731.db2.gz UBSWWAFRTSFYHP-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574458589 949342709 /nfs/dbraw/zinc/34/27/09/949342709.db2.gz UBSWWAFRTSFYHP-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)n1 ZINC001574458590 949344267 /nfs/dbraw/zinc/34/42/67/949344267.db2.gz UBSWWAFRTSFYHP-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)n1 ZINC001574458590 949344246 /nfs/dbraw/zinc/34/42/46/949344246.db2.gz UBSWWAFRTSFYHP-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574458635 949341365 /nfs/dbraw/zinc/34/13/65/949341365.db2.gz VDSASTKKEPNFNM-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574458635 949341344 /nfs/dbraw/zinc/34/13/44/949341344.db2.gz VDSASTKKEPNFNM-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574458636 949340487 /nfs/dbraw/zinc/34/04/87/949340487.db2.gz VDSASTKKEPNFNM-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574458636 949340465 /nfs/dbraw/zinc/34/04/65/949340465.db2.gz VDSASTKKEPNFNM-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574458664 949345558 /nfs/dbraw/zinc/34/55/58/949345558.db2.gz WNXMIMYZLJNXMQ-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574458664 949345537 /nfs/dbraw/zinc/34/55/37/949345537.db2.gz WNXMIMYZLJNXMQ-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574458665 949348490 /nfs/dbraw/zinc/34/84/90/949348490.db2.gz WNXMIMYZLJNXMQ-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574458665 949348472 /nfs/dbraw/zinc/34/84/72/949348472.db2.gz WNXMIMYZLJNXMQ-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574458683 949346226 /nfs/dbraw/zinc/34/62/26/949346226.db2.gz XXVSMJLGRDQYHV-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574458683 949346205 /nfs/dbraw/zinc/34/62/05/949346205.db2.gz XXVSMJLGRDQYHV-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC001574458684 949346893 /nfs/dbraw/zinc/34/68/93/949346893.db2.gz XXVSMJLGRDQYHV-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC001574458684 949346870 /nfs/dbraw/zinc/34/68/70/949346870.db2.gz XXVSMJLGRDQYHV-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574458685 949346162 /nfs/dbraw/zinc/34/61/62/949346162.db2.gz XYGNMTDMFGWMIS-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574458685 949346143 /nfs/dbraw/zinc/34/61/43/949346143.db2.gz XYGNMTDMFGWMIS-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC001574458686 949346356 /nfs/dbraw/zinc/34/63/56/949346356.db2.gz XYGNMTDMFGWMIS-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC001574458686 949346336 /nfs/dbraw/zinc/34/63/36/949346336.db2.gz XYGNMTDMFGWMIS-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ccc(CN2CC(O)(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)n1 ZINC001574459332 949353906 /nfs/dbraw/zinc/35/39/06/949353906.db2.gz AUIPFOSRGUAWRO-UHFFFAOYSA-N -1 3 385.432 -0.051 20 0 GBADHM CC(C)n1ccc(CN2CC(O)(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)n1 ZINC001574459332 949353884 /nfs/dbraw/zinc/35/38/84/949353884.db2.gz AUIPFOSRGUAWRO-UHFFFAOYSA-N -1 3 385.432 -0.051 20 0 GBADHM CC(C)n1ccc(CN2CC(O)(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)n1 ZINC001574459442 949357924 /nfs/dbraw/zinc/35/79/24/949357924.db2.gz GPJFNRXDRPNURB-UHFFFAOYSA-N -1 3 385.432 -0.051 20 0 GBADHM CC(C)n1ccc(CN2CC(O)(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)n1 ZINC001574459442 949357902 /nfs/dbraw/zinc/35/79/02/949357902.db2.gz GPJFNRXDRPNURB-UHFFFAOYSA-N -1 3 385.432 -0.051 20 0 GBADHM CC(C)n1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574459584 949360933 /nfs/dbraw/zinc/36/09/33/949360933.db2.gz JOLPWXNLHXKOAK-HUUCEWRRSA-N -1 3 385.432 -0.053 20 0 GBADHM CC(C)n1ccc(CN2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574459584 949360910 /nfs/dbraw/zinc/36/09/10/949360910.db2.gz JOLPWXNLHXKOAK-HUUCEWRRSA-N -1 3 385.432 -0.053 20 0 GBADHM CC(C)n1ccc(CN2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)n1 ZINC001574460133 949368182 /nfs/dbraw/zinc/36/81/82/949368182.db2.gz PODNJCSGOKSVHX-CABCVRRESA-N -1 3 385.432 -0.053 20 0 GBADHM CC(C)n1ccc(CN2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)n1 ZINC001574460133 949368158 /nfs/dbraw/zinc/36/81/58/949368158.db2.gz PODNJCSGOKSVHX-CABCVRRESA-N -1 3 385.432 -0.053 20 0 GBADHM CC(C)n1ccc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)n1 ZINC001574460135 949366643 /nfs/dbraw/zinc/36/66/43/949366643.db2.gz PWPYALZVYUFMKN-UHFFFAOYSA-N -1 3 385.432 -0.051 20 0 GBADHM CC(C)n1ccc(CN2CC(O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)n1 ZINC001574460135 949366623 /nfs/dbraw/zinc/36/66/23/949366623.db2.gz PWPYALZVYUFMKN-UHFFFAOYSA-N -1 3 385.432 -0.051 20 0 GBADHM CC(C)n1ccc(CN2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)n1 ZINC001574460638 949377432 /nfs/dbraw/zinc/37/74/32/949377432.db2.gz UZPJKAZTRMXOEF-CABCVRRESA-N -1 3 385.432 -0.053 20 0 GBADHM CC(C)n1ccc(CN2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)n1 ZINC001574460638 949377409 /nfs/dbraw/zinc/37/74/09/949377409.db2.gz UZPJKAZTRMXOEF-CABCVRRESA-N -1 3 385.432 -0.053 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574463916 949393589 /nfs/dbraw/zinc/39/35/89/949393589.db2.gz BCVKFINDURVQJV-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574463916 949393568 /nfs/dbraw/zinc/39/35/68/949393568.db2.gz BCVKFINDURVQJV-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574463917 949390612 /nfs/dbraw/zinc/39/06/12/949390612.db2.gz BCVKFINDURVQJV-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574463917 949390590 /nfs/dbraw/zinc/39/05/90/949390590.db2.gz BCVKFINDURVQJV-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574463972 949391448 /nfs/dbraw/zinc/39/14/48/949391448.db2.gz DDWKMBPIZSWDMF-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574463972 949391426 /nfs/dbraw/zinc/39/14/26/949391426.db2.gz DDWKMBPIZSWDMF-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574463973 949390742 /nfs/dbraw/zinc/39/07/42/949390742.db2.gz DDWKMBPIZSWDMF-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574463973 949390723 /nfs/dbraw/zinc/39/07/23/949390723.db2.gz DDWKMBPIZSWDMF-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574464110 949398151 /nfs/dbraw/zinc/39/81/51/949398151.db2.gz FMZURNFHMRZSAI-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574464110 949398127 /nfs/dbraw/zinc/39/81/27/949398127.db2.gz FMZURNFHMRZSAI-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574464111 949398076 /nfs/dbraw/zinc/39/80/76/949398076.db2.gz FMZURNFHMRZSAI-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574464111 949398050 /nfs/dbraw/zinc/39/80/50/949398050.db2.gz FMZURNFHMRZSAI-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574464156 949397823 /nfs/dbraw/zinc/39/78/23/949397823.db2.gz HMAFUFZUORICSD-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574464156 949397800 /nfs/dbraw/zinc/39/78/00/949397800.db2.gz HMAFUFZUORICSD-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574464157 949396136 /nfs/dbraw/zinc/39/61/36/949396136.db2.gz HMAFUFZUORICSD-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574464157 949396119 /nfs/dbraw/zinc/39/61/19/949396119.db2.gz HMAFUFZUORICSD-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574464161 949396270 /nfs/dbraw/zinc/39/62/70/949396270.db2.gz HRILDZGJMUUTEL-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574464161 949396248 /nfs/dbraw/zinc/39/62/48/949396248.db2.gz HRILDZGJMUUTEL-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574464162 949395651 /nfs/dbraw/zinc/39/56/51/949395651.db2.gz HRILDZGJMUUTEL-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574464162 949395633 /nfs/dbraw/zinc/39/56/33/949395633.db2.gz HRILDZGJMUUTEL-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574465014 949425765 /nfs/dbraw/zinc/42/57/65/949425765.db2.gz SSUGNTDRQMSOQV-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574465014 949425750 /nfs/dbraw/zinc/42/57/50/949425750.db2.gz SSUGNTDRQMSOQV-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC001574465015 949425724 /nfs/dbraw/zinc/42/57/24/949425724.db2.gz SSUGNTDRQMSOQV-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC001574465015 949425715 /nfs/dbraw/zinc/42/57/15/949425715.db2.gz SSUGNTDRQMSOQV-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574465497 949439060 /nfs/dbraw/zinc/43/90/60/949439060.db2.gz ZIESKBXOEUOWKQ-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574465497 949439051 /nfs/dbraw/zinc/43/90/51/949439051.db2.gz ZIESKBXOEUOWKQ-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC001574465499 949437546 /nfs/dbraw/zinc/43/75/46/949437546.db2.gz ZIESKBXOEUOWKQ-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC001574465499 949437529 /nfs/dbraw/zinc/43/75/29/949437529.db2.gz ZIESKBXOEUOWKQ-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574465537 949438643 /nfs/dbraw/zinc/43/86/43/949438643.db2.gz ZZECKAMSFGGZMF-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574465537 949438633 /nfs/dbraw/zinc/43/86/33/949438633.db2.gz ZZECKAMSFGGZMF-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC001574465538 949438668 /nfs/dbraw/zinc/43/86/68/949438668.db2.gz ZZECKAMSFGGZMF-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1cnc(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC001574465538 949438662 /nfs/dbraw/zinc/43/86/62/949438662.db2.gz ZZECKAMSFGGZMF-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574469821 949484964 /nfs/dbraw/zinc/48/49/64/949484964.db2.gz HQKLTUCQNVMXJB-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574469821 949484947 /nfs/dbraw/zinc/48/49/47/949484947.db2.gz HQKLTUCQNVMXJB-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574469822 949483949 /nfs/dbraw/zinc/48/39/49/949483949.db2.gz HQKLTUCQNVMXJB-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574469822 949483938 /nfs/dbraw/zinc/48/39/38/949483938.db2.gz HQKLTUCQNVMXJB-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574469836 949486762 /nfs/dbraw/zinc/48/67/62/949486762.db2.gz IBLUSVJNRXSGRJ-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574469836 949486753 /nfs/dbraw/zinc/48/67/53/949486753.db2.gz IBLUSVJNRXSGRJ-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574469837 949484118 /nfs/dbraw/zinc/48/41/18/949484118.db2.gz IBLUSVJNRXSGRJ-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574469837 949484104 /nfs/dbraw/zinc/48/41/04/949484104.db2.gz IBLUSVJNRXSGRJ-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ncnc1CN1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001574470001 949484179 /nfs/dbraw/zinc/48/41/79/949484179.db2.gz KBHAATQDLWNBPS-UHFFFAOYSA-N -1 3 386.420 -0.656 20 0 GBADHM CC(C)n1ncnc1CN1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001574470001 949484162 /nfs/dbraw/zinc/48/41/62/949484162.db2.gz KBHAATQDLWNBPS-UHFFFAOYSA-N -1 3 386.420 -0.656 20 0 GBADHM CC(C)n1ncnc1CNC[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574470368 949499592 /nfs/dbraw/zinc/49/95/92/949499592.db2.gz BRHJHQLKLRMCAJ-GFCCVEGCSA-N -1 3 388.436 -0.410 20 0 GBADHM CC(C)n1ncnc1CNC[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574470368 949499574 /nfs/dbraw/zinc/49/95/74/949499574.db2.gz BRHJHQLKLRMCAJ-GFCCVEGCSA-N -1 3 388.436 -0.410 20 0 GBADHM CC(C)n1ncnc1CNC[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574470369 949500305 /nfs/dbraw/zinc/50/03/05/949500305.db2.gz BRHJHQLKLRMCAJ-LBPRGKRZSA-N -1 3 388.436 -0.410 20 0 GBADHM CC(C)n1ncnc1CNC[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574470369 949500278 /nfs/dbraw/zinc/50/02/78/949500278.db2.gz BRHJHQLKLRMCAJ-LBPRGKRZSA-N -1 3 388.436 -0.410 20 0 GBADHM CC(C)n1ncnc1CN1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001574470448 949502863 /nfs/dbraw/zinc/50/28/63/949502863.db2.gz RDYROHGISGTABB-UHFFFAOYSA-N -1 3 386.420 -0.656 20 0 GBADHM CC(C)n1ncnc1CN1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001574470448 949502846 /nfs/dbraw/zinc/50/28/46/949502846.db2.gz RDYROHGISGTABB-UHFFFAOYSA-N -1 3 386.420 -0.656 20 0 GBADHM CC(C)n1ncnc1CN1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001574470572 949508585 /nfs/dbraw/zinc/50/85/85/949508585.db2.gz FSJIVAUUJBFZTJ-OLZOCXBDSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1ncnc1CN1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001574470572 949508572 /nfs/dbraw/zinc/50/85/72/949508572.db2.gz FSJIVAUUJBFZTJ-OLZOCXBDSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1ncnc1CN1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001574470574 949506314 /nfs/dbraw/zinc/50/63/14/949506314.db2.gz FUFAKIFFPLMIEL-OLZOCXBDSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1ncnc1CN1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001574470574 949506291 /nfs/dbraw/zinc/50/62/91/949506291.db2.gz FUFAKIFFPLMIEL-OLZOCXBDSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574470717 949510219 /nfs/dbraw/zinc/51/02/19/949510219.db2.gz SSDSQMAOHDMGCM-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574470717 949510201 /nfs/dbraw/zinc/51/02/01/949510201.db2.gz SSDSQMAOHDMGCM-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574470719 949508676 /nfs/dbraw/zinc/50/86/76/949508676.db2.gz SSDSQMAOHDMGCM-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574470719 949508661 /nfs/dbraw/zinc/50/86/61/949508661.db2.gz SSDSQMAOHDMGCM-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574470766 949514118 /nfs/dbraw/zinc/51/41/18/949514118.db2.gz UJKDPBKRPLMCSZ-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574470766 949514102 /nfs/dbraw/zinc/51/41/02/949514102.db2.gz UJKDPBKRPLMCSZ-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574470771 949512409 /nfs/dbraw/zinc/51/24/09/949512409.db2.gz UJKDPBKRPLMCSZ-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574470771 949512388 /nfs/dbraw/zinc/51/23/88/949512388.db2.gz UJKDPBKRPLMCSZ-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574470878 949516801 /nfs/dbraw/zinc/51/68/01/949516801.db2.gz WHIUHQCCMYFSEC-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574470878 949516790 /nfs/dbraw/zinc/51/67/90/949516790.db2.gz WHIUHQCCMYFSEC-JTQLQIEISA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574470879 949516861 /nfs/dbraw/zinc/51/68/61/949516861.db2.gz WHIUHQCCMYFSEC-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574470879 949516843 /nfs/dbraw/zinc/51/68/43/949516843.db2.gz WHIUHQCCMYFSEC-SNVBAGLBSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574470911 949523020 /nfs/dbraw/zinc/52/30/20/949523020.db2.gz YEKYMTGYKLEYCI-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574470911 949523007 /nfs/dbraw/zinc/52/30/07/949523007.db2.gz YEKYMTGYKLEYCI-LLVKDONJSA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574470912 949523832 /nfs/dbraw/zinc/52/38/32/949523832.db2.gz YEKYMTGYKLEYCI-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1nccc1C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574470912 949523820 /nfs/dbraw/zinc/52/38/20/949523820.db2.gz YEKYMTGYKLEYCI-NSHDSACASA-N -1 3 387.404 -0.507 20 0 GBADHM CC(C)n1ncnc1CN1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001574471114 949529613 /nfs/dbraw/zinc/52/96/13/949529613.db2.gz ZUYYAUWTCSVUQG-UHFFFAOYSA-N -1 3 386.420 -0.656 20 0 GBADHM CC(C)n1ncnc1CN1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001574471114 949529601 /nfs/dbraw/zinc/52/96/01/949529601.db2.gz ZUYYAUWTCSVUQG-UHFFFAOYSA-N -1 3 386.420 -0.656 20 0 GBADHM C[C@@H](CC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)NC(N)=O ZINC001574472165 949541103 /nfs/dbraw/zinc/54/11/03/949541103.db2.gz QYFCXQFXCWGNOR-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)NC(N)=O ZINC001574472165 949541084 /nfs/dbraw/zinc/54/10/84/949541084.db2.gz QYFCXQFXCWGNOR-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)NC(N)=O ZINC001574472166 949543852 /nfs/dbraw/zinc/54/38/52/949543852.db2.gz QYFCXQFXCWGNOR-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)NC(N)=O ZINC001574472166 949543825 /nfs/dbraw/zinc/54/38/25/949543825.db2.gz QYFCXQFXCWGNOR-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)NC(N)=O ZINC001574472167 949541286 /nfs/dbraw/zinc/54/12/86/949541286.db2.gz QYFCXQFXCWGNOR-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)NC(N)=O ZINC001574472167 949541258 /nfs/dbraw/zinc/54/12/58/949541258.db2.gz QYFCXQFXCWGNOR-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)NC(N)=O ZINC001574472168 949549167 /nfs/dbraw/zinc/54/91/67/949549167.db2.gz QYFCXQFXCWGNOR-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)NC(N)=O ZINC001574472168 949549153 /nfs/dbraw/zinc/54/91/53/949549153.db2.gz QYFCXQFXCWGNOR-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574472372 949553168 /nfs/dbraw/zinc/55/31/68/949553168.db2.gz TZODJQCYSQWASG-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574472372 949553144 /nfs/dbraw/zinc/55/31/44/949553144.db2.gz TZODJQCYSQWASG-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574472373 949550532 /nfs/dbraw/zinc/55/05/32/949550532.db2.gz TZODJQCYSQWASG-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574472373 949550516 /nfs/dbraw/zinc/55/05/16/949550516.db2.gz TZODJQCYSQWASG-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574472374 949551283 /nfs/dbraw/zinc/55/12/83/949551283.db2.gz TZODJQCYSQWASG-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574472374 949551263 /nfs/dbraw/zinc/55/12/63/949551263.db2.gz TZODJQCYSQWASG-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574472376 949551717 /nfs/dbraw/zinc/55/17/17/949551717.db2.gz TZODJQCYSQWASG-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574472376 949551697 /nfs/dbraw/zinc/55/16/97/949551697.db2.gz TZODJQCYSQWASG-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM CC(C)n1ncnc1CN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001574472831 949555961 /nfs/dbraw/zinc/55/59/61/949555961.db2.gz WJUKCIAWYNDHMS-OLZOCXBDSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1ncnc1CN1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001574472831 949555938 /nfs/dbraw/zinc/55/59/38/949555938.db2.gz WJUKCIAWYNDHMS-OLZOCXBDSA-N -1 3 386.420 -0.658 20 0 GBADHM CC(C)n1ncnc1CNC[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574473127 949560869 /nfs/dbraw/zinc/56/08/69/949560869.db2.gz YGMSCVMGMPEBNE-LLVKDONJSA-N -1 3 388.436 -0.410 20 0 GBADHM CC(C)n1ncnc1CNC[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574473130 949562659 /nfs/dbraw/zinc/56/26/59/949562659.db2.gz YGMSCVMGMPEBNE-NSHDSACASA-N -1 3 388.436 -0.410 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574475851 949575806 /nfs/dbraw/zinc/57/58/06/949575806.db2.gz COULXOLOAHFXJR-NEPJUHHUSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574475851 949575784 /nfs/dbraw/zinc/57/57/84/949575784.db2.gz COULXOLOAHFXJR-NEPJUHHUSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574475852 949577504 /nfs/dbraw/zinc/57/75/04/949577504.db2.gz COULXOLOAHFXJR-NWDGAFQWSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574475852 949577485 /nfs/dbraw/zinc/57/74/85/949577485.db2.gz COULXOLOAHFXJR-NWDGAFQWSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574475853 949578117 /nfs/dbraw/zinc/57/81/17/949578117.db2.gz COULXOLOAHFXJR-RYUDHWBXSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574475853 949578096 /nfs/dbraw/zinc/57/80/96/949578096.db2.gz COULXOLOAHFXJR-RYUDHWBXSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574475854 949576474 /nfs/dbraw/zinc/57/64/74/949576474.db2.gz COULXOLOAHFXJR-VXGBXAGGSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574475854 949576456 /nfs/dbraw/zinc/57/64/56/949576456.db2.gz COULXOLOAHFXJR-VXGBXAGGSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@H](CC(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574475930 949584983 /nfs/dbraw/zinc/58/49/83/949584983.db2.gz DMZNWBRSINHZQW-SECBINFHSA-N -1 3 379.400 -0.258 20 0 GBADHM C[C@H](CC(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574475930 949584972 /nfs/dbraw/zinc/58/49/72/949584972.db2.gz DMZNWBRSINHZQW-SECBINFHSA-N -1 3 379.400 -0.258 20 0 GBADHM C[C@@H](CC(=O)N(C)CCN(C)c1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574475932 949581561 /nfs/dbraw/zinc/58/15/61/949581561.db2.gz DMZNWBRSINHZQW-VIFPVBQESA-N -1 3 379.400 -0.258 20 0 GBADHM C[C@@H](CC(=O)N(C)CCN(C)c1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574475932 949581546 /nfs/dbraw/zinc/58/15/46/949581546.db2.gz DMZNWBRSINHZQW-VIFPVBQESA-N -1 3 379.400 -0.258 20 0 GBADHM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574476019 949582914 /nfs/dbraw/zinc/58/29/14/949582914.db2.gz FDDNJTPOKQHXNB-LLVKDONJSA-N -1 3 375.437 -0.007 20 0 GBADHM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574476019 949582901 /nfs/dbraw/zinc/58/29/01/949582901.db2.gz FDDNJTPOKQHXNB-LLVKDONJSA-N -1 3 375.437 -0.007 20 0 GBADHM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574476021 949581788 /nfs/dbraw/zinc/58/17/88/949581788.db2.gz FDDNJTPOKQHXNB-NSHDSACASA-N -1 3 375.437 -0.007 20 0 GBADHM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574476021 949581772 /nfs/dbraw/zinc/58/17/72/949581772.db2.gz FDDNJTPOKQHXNB-NSHDSACASA-N -1 3 375.437 -0.007 20 0 GBADHM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574476340 949599203 /nfs/dbraw/zinc/59/92/03/949599203.db2.gz GUGIHYPBXRRTDI-GXSJLCMTSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574476340 949599182 /nfs/dbraw/zinc/59/91/82/949599182.db2.gz GUGIHYPBXRRTDI-GXSJLCMTSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574476341 949596746 /nfs/dbraw/zinc/59/67/46/949596746.db2.gz GUGIHYPBXRRTDI-KOLCDFICSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@H](CC(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574476341 949596731 /nfs/dbraw/zinc/59/67/31/949596731.db2.gz GUGIHYPBXRRTDI-KOLCDFICSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574476342 949598022 /nfs/dbraw/zinc/59/80/22/949598022.db2.gz GUGIHYPBXRRTDI-MWLCHTKSSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574476342 949598007 /nfs/dbraw/zinc/59/80/07/949598007.db2.gz GUGIHYPBXRRTDI-MWLCHTKSSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574476343 949597668 /nfs/dbraw/zinc/59/76/68/949597668.db2.gz GUGIHYPBXRRTDI-ONGXEEELSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574476343 949597653 /nfs/dbraw/zinc/59/76/53/949597653.db2.gz GUGIHYPBXRRTDI-ONGXEEELSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@@H](CC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(N)=O ZINC001574476421 949598692 /nfs/dbraw/zinc/59/86/92/949598692.db2.gz HCBBPHHQWOJEQL-JTQLQIEISA-N -1 3 391.436 -0.438 20 0 GBADHM C[C@@H](CC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(N)=O ZINC001574476421 949598675 /nfs/dbraw/zinc/59/86/75/949598675.db2.gz HCBBPHHQWOJEQL-JTQLQIEISA-N -1 3 391.436 -0.438 20 0 GBADHM C[C@H](CC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(N)=O ZINC001574476423 949599309 /nfs/dbraw/zinc/59/93/09/949599309.db2.gz HCBBPHHQWOJEQL-SNVBAGLBSA-N -1 3 391.436 -0.438 20 0 GBADHM C[C@H](CC(=O)N(C)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(N)=O ZINC001574476423 949599296 /nfs/dbraw/zinc/59/92/96/949599296.db2.gz HCBBPHHQWOJEQL-SNVBAGLBSA-N -1 3 391.436 -0.438 20 0 GBADHM C[C@@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)N1CCCC1=O ZINC001574476427 949602259 /nfs/dbraw/zinc/60/22/59/949602259.db2.gz CFXACBXPDNFOTA-JTQLQIEISA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)N1CCCC1=O ZINC001574476427 949602248 /nfs/dbraw/zinc/60/22/48/949602248.db2.gz CFXACBXPDNFOTA-JTQLQIEISA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)N1CCCC1=O ZINC001574476428 949602780 /nfs/dbraw/zinc/60/27/80/949602780.db2.gz CFXACBXPDNFOTA-SNVBAGLBSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H](CC(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)N1CCCC1=O ZINC001574476428 949602773 /nfs/dbraw/zinc/60/27/73/949602773.db2.gz CFXACBXPDNFOTA-SNVBAGLBSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574476462 949602928 /nfs/dbraw/zinc/60/29/28/949602928.db2.gz CWMVRTMOLFUYJX-RTXFEEFZSA-N -1 3 385.432 -0.112 20 0 GBADHM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574476462 949602923 /nfs/dbraw/zinc/60/29/23/949602923.db2.gz CWMVRTMOLFUYJX-RTXFEEFZSA-N -1 3 385.432 -0.112 20 0 GBADHM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574476463 949603373 /nfs/dbraw/zinc/60/33/73/949603373.db2.gz CWMVRTMOLFUYJX-WCFLWFBJSA-N -1 3 385.432 -0.112 20 0 GBADHM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574476463 949603356 /nfs/dbraw/zinc/60/33/56/949603356.db2.gz CWMVRTMOLFUYJX-WCFLWFBJSA-N -1 3 385.432 -0.112 20 0 GBADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574476801 949618780 /nfs/dbraw/zinc/61/87/80/949618780.db2.gz KIMBTULNAYGYMG-SECBINFHSA-N -1 3 377.409 -0.828 20 0 GBADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574476801 949618761 /nfs/dbraw/zinc/61/87/61/949618761.db2.gz KIMBTULNAYGYMG-SECBINFHSA-N -1 3 377.409 -0.828 20 0 GBADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574476802 949621731 /nfs/dbraw/zinc/62/17/31/949621731.db2.gz KIMBTULNAYGYMG-VIFPVBQESA-N -1 3 377.409 -0.828 20 0 GBADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574476802 949621718 /nfs/dbraw/zinc/62/17/18/949621718.db2.gz KIMBTULNAYGYMG-VIFPVBQESA-N -1 3 377.409 -0.828 20 0 GBADHM C[C@@H](CC(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574477037 949633817 /nfs/dbraw/zinc/63/38/17/949633817.db2.gz NLFGIWHZIRQOPR-JTQLQIEISA-N -1 3 391.436 -0.438 20 0 GBADHM C[C@@H](CC(=O)N(C)CCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574477037 949633801 /nfs/dbraw/zinc/63/38/01/949633801.db2.gz NLFGIWHZIRQOPR-JTQLQIEISA-N -1 3 391.436 -0.438 20 0 GBADHM C[C@H](CC(=O)N(C)CCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574477038 949635669 /nfs/dbraw/zinc/63/56/69/949635669.db2.gz NLFGIWHZIRQOPR-SNVBAGLBSA-N -1 3 391.436 -0.438 20 0 GBADHM C[C@H](CC(=O)N(C)CCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574477038 949635646 /nfs/dbraw/zinc/63/56/46/949635646.db2.gz NLFGIWHZIRQOPR-SNVBAGLBSA-N -1 3 391.436 -0.438 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574477073 949639756 /nfs/dbraw/zinc/63/97/56/949639756.db2.gz OMPSDNRFVCZGQD-NEPJUHHUSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574477073 949639749 /nfs/dbraw/zinc/63/97/49/949639749.db2.gz OMPSDNRFVCZGQD-NEPJUHHUSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574477074 949639925 /nfs/dbraw/zinc/63/99/25/949639925.db2.gz OMPSDNRFVCZGQD-NWDGAFQWSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574477074 949639910 /nfs/dbraw/zinc/63/99/10/949639910.db2.gz OMPSDNRFVCZGQD-NWDGAFQWSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574477075 949640179 /nfs/dbraw/zinc/64/01/79/949640179.db2.gz OMPSDNRFVCZGQD-RYUDHWBXSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574477075 949640170 /nfs/dbraw/zinc/64/01/70/949640170.db2.gz OMPSDNRFVCZGQD-RYUDHWBXSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574477076 949640028 /nfs/dbraw/zinc/64/00/28/949640028.db2.gz OMPSDNRFVCZGQD-VXGBXAGGSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574477076 949640019 /nfs/dbraw/zinc/64/00/19/949640019.db2.gz OMPSDNRFVCZGQD-VXGBXAGGSA-N -1 3 386.420 -0.264 20 0 GBADHM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574477310 949651411 /nfs/dbraw/zinc/65/14/11/949651411.db2.gz PYOOAHLAYCGJBT-LLVKDONJSA-N -1 3 375.437 -0.007 20 0 GBADHM C[C@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574477310 949651398 /nfs/dbraw/zinc/65/13/98/949651398.db2.gz PYOOAHLAYCGJBT-LLVKDONJSA-N -1 3 375.437 -0.007 20 0 GBADHM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574477311 949650390 /nfs/dbraw/zinc/65/03/90/949650390.db2.gz PYOOAHLAYCGJBT-NSHDSACASA-N -1 3 375.437 -0.007 20 0 GBADHM C[C@@H](CC(=O)N(C)CCCN(C)c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574477311 949650380 /nfs/dbraw/zinc/65/03/80/949650380.db2.gz PYOOAHLAYCGJBT-NSHDSACASA-N -1 3 375.437 -0.007 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574477405 949655538 /nfs/dbraw/zinc/65/55/38/949655538.db2.gz QQUUPQCALDMFEX-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574477405 949655527 /nfs/dbraw/zinc/65/55/27/949655527.db2.gz QQUUPQCALDMFEX-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574477406 949657873 /nfs/dbraw/zinc/65/78/73/949657873.db2.gz QQUUPQCALDMFEX-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574477406 949657863 /nfs/dbraw/zinc/65/78/63/949657863.db2.gz QQUUPQCALDMFEX-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574477407 949655980 /nfs/dbraw/zinc/65/59/80/949655980.db2.gz QQUUPQCALDMFEX-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574477407 949655969 /nfs/dbraw/zinc/65/59/69/949655969.db2.gz QQUUPQCALDMFEX-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574477408 949657427 /nfs/dbraw/zinc/65/74/27/949657427.db2.gz QQUUPQCALDMFEX-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@@H]1CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574477408 949657407 /nfs/dbraw/zinc/65/74/07/949657407.db2.gz QQUUPQCALDMFEX-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCCC1=O ZINC001574477419 949656165 /nfs/dbraw/zinc/65/61/65/949656165.db2.gz NZSFTUMBTRXIRJ-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCCC1=O ZINC001574477419 949656153 /nfs/dbraw/zinc/65/61/53/949656153.db2.gz NZSFTUMBTRXIRJ-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCCC1=O ZINC001574477421 949656441 /nfs/dbraw/zinc/65/64/41/949656441.db2.gz NZSFTUMBTRXIRJ-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCCC1=O ZINC001574477421 949656423 /nfs/dbraw/zinc/65/64/23/949656423.db2.gz NZSFTUMBTRXIRJ-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N1CCCC1=O ZINC001574477485 949659823 /nfs/dbraw/zinc/65/98/23/949659823.db2.gz RRRBLDGEGNKBQT-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N1CCCC1=O ZINC001574477485 949659807 /nfs/dbraw/zinc/65/98/07/949659807.db2.gz RRRBLDGEGNKBQT-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N1CCCC1=O ZINC001574477487 949662718 /nfs/dbraw/zinc/66/27/18/949662718.db2.gz RRRBLDGEGNKBQT-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N1CCCC1=O ZINC001574477487 949662699 /nfs/dbraw/zinc/66/26/99/949662699.db2.gz RRRBLDGEGNKBQT-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574477494 949661484 /nfs/dbraw/zinc/66/14/84/949661484.db2.gz OIVMMHWVOMTGFN-SDDRHHMPSA-N -1 3 385.432 -0.112 20 0 GBADHM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574477494 949661467 /nfs/dbraw/zinc/66/14/67/949661467.db2.gz OIVMMHWVOMTGFN-SDDRHHMPSA-N -1 3 385.432 -0.112 20 0 GBADHM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574477495 949660103 /nfs/dbraw/zinc/66/01/03/949660103.db2.gz OIVMMHWVOMTGFN-UTUOFQBUSA-N -1 3 385.432 -0.112 20 0 GBADHM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574477495 949660088 /nfs/dbraw/zinc/66/00/88/949660088.db2.gz OIVMMHWVOMTGFN-UTUOFQBUSA-N -1 3 385.432 -0.112 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(N)=O ZINC001574477710 949675255 /nfs/dbraw/zinc/67/52/55/949675255.db2.gz UKDSNMQKQLBMHT-NXEZZACHSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(N)=O ZINC001574477710 949675243 /nfs/dbraw/zinc/67/52/43/949675243.db2.gz UKDSNMQKQLBMHT-NXEZZACHSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(N)=O ZINC001574477712 949676358 /nfs/dbraw/zinc/67/63/58/949676358.db2.gz UKDSNMQKQLBMHT-UWVGGRQHSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(N)=O ZINC001574477712 949676349 /nfs/dbraw/zinc/67/63/49/949676349.db2.gz UKDSNMQKQLBMHT-UWVGGRQHSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(N)=O ZINC001574477714 949674388 /nfs/dbraw/zinc/67/43/88/949674388.db2.gz UKDSNMQKQLBMHT-VHSXEESVSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(N)=O ZINC001574477714 949674378 /nfs/dbraw/zinc/67/43/78/949674378.db2.gz UKDSNMQKQLBMHT-VHSXEESVSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(N)=O ZINC001574477716 949674660 /nfs/dbraw/zinc/67/46/60/949674660.db2.gz UKDSNMQKQLBMHT-ZJUUUORDSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(N)=O ZINC001574477716 949674647 /nfs/dbraw/zinc/67/46/47/949674647.db2.gz UKDSNMQKQLBMHT-ZJUUUORDSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC1=O ZINC001574477852 949680685 /nfs/dbraw/zinc/68/06/85/949680685.db2.gz SHHPJISECYFZHT-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC1=O ZINC001574477852 949680671 /nfs/dbraw/zinc/68/06/71/949680671.db2.gz SHHPJISECYFZHT-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC1=O ZINC001574477853 949680262 /nfs/dbraw/zinc/68/02/62/949680262.db2.gz SHHPJISECYFZHT-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC1=O ZINC001574477853 949680245 /nfs/dbraw/zinc/68/02/45/949680245.db2.gz SHHPJISECYFZHT-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574477882 949684911 /nfs/dbraw/zinc/68/49/11/949684911.db2.gz SPNPXWUYJVVCET-GFCCVEGCSA-N -1 3 386.420 -0.263 20 0 GBADHM C[C@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574477882 949684894 /nfs/dbraw/zinc/68/48/94/949684894.db2.gz SPNPXWUYJVVCET-GFCCVEGCSA-N -1 3 386.420 -0.263 20 0 GBADHM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nn[n-]n2)cn1)n1ccnc1 ZINC001574477884 949684519 /nfs/dbraw/zinc/68/45/19/949684519.db2.gz SPNPXWUYJVVCET-LBPRGKRZSA-N -1 3 386.420 -0.263 20 0 GBADHM C[C@@H](CC(=O)N(CCO)CCNc1cnc(-c2nnn[n-]2)cn1)n1ccnc1 ZINC001574477884 949684499 /nfs/dbraw/zinc/68/44/99/949684499.db2.gz SPNPXWUYJVVCET-LBPRGKRZSA-N -1 3 386.420 -0.263 20 0 GBADHM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574477993 949690543 /nfs/dbraw/zinc/69/05/43/949690543.db2.gz UCGNDTIUEYYREO-RTXFEEFZSA-N -1 3 385.432 -0.112 20 0 GBADHM C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574477993 949690524 /nfs/dbraw/zinc/69/05/24/949690524.db2.gz UCGNDTIUEYYREO-RTXFEEFZSA-N -1 3 385.432 -0.112 20 0 GBADHM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574477994 949687052 /nfs/dbraw/zinc/68/70/52/949687052.db2.gz UCGNDTIUEYYREO-WCFLWFBJSA-N -1 3 385.432 -0.112 20 0 GBADHM C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574477994 949687038 /nfs/dbraw/zinc/68/70/38/949687038.db2.gz UCGNDTIUEYYREO-WCFLWFBJSA-N -1 3 385.432 -0.112 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574478031 949692611 /nfs/dbraw/zinc/69/26/11/949692611.db2.gz WXDCQACIEONEMZ-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574478031 949692594 /nfs/dbraw/zinc/69/25/94/949692594.db2.gz WXDCQACIEONEMZ-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574478033 949694647 /nfs/dbraw/zinc/69/46/47/949694647.db2.gz WXDCQACIEONEMZ-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574478033 949694625 /nfs/dbraw/zinc/69/46/25/949694625.db2.gz WXDCQACIEONEMZ-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574478035 949694457 /nfs/dbraw/zinc/69/44/57/949694457.db2.gz WXDCQACIEONEMZ-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N(C)C[C@H]1CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574478035 949694439 /nfs/dbraw/zinc/69/44/39/949694439.db2.gz WXDCQACIEONEMZ-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N(C)C[C@@H]1CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574478037 949693597 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WBGUWLCVSCAGIJ-SNVBAGLBSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574478330 949702308 /nfs/dbraw/zinc/70/23/08/949702308.db2.gz YOOWXALRBHZGBZ-SECBINFHSA-N -1 3 377.409 -0.828 20 0 GBADHM C[C@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574478330 949702291 /nfs/dbraw/zinc/70/22/91/949702291.db2.gz YOOWXALRBHZGBZ-SECBINFHSA-N -1 3 377.409 -0.828 20 0 GBADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574478333 949701855 /nfs/dbraw/zinc/70/18/55/949701855.db2.gz YOOWXALRBHZGBZ-VIFPVBQESA-N -1 3 377.409 -0.828 20 0 GBADHM C[C@@H](CC(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574478333 949701832 /nfs/dbraw/zinc/70/18/32/949701832.db2.gz YOOWXALRBHZGBZ-VIFPVBQESA-N -1 3 377.409 -0.828 20 0 GBADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574478617 949714656 /nfs/dbraw/zinc/71/46/56/949714656.db2.gz ZPADWWFIKUWEEB-GFCCVEGCSA-N -1 3 386.420 -0.263 20 0 GBADHM C[C@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574478617 949714640 /nfs/dbraw/zinc/71/46/40/949714640.db2.gz ZPADWWFIKUWEEB-GFCCVEGCSA-N -1 3 386.420 -0.263 20 0 GBADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nn1)n1ccnc1 ZINC001574478618 949712235 /nfs/dbraw/zinc/71/22/35/949712235.db2.gz ZPADWWFIKUWEEB-LBPRGKRZSA-N -1 3 386.420 -0.263 20 0 GBADHM C[C@@H](CC(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)nn1)n1ccnc1 ZINC001574478618 949712213 /nfs/dbraw/zinc/71/22/13/949712213.db2.gz ZPADWWFIKUWEEB-LBPRGKRZSA-N -1 3 386.420 -0.263 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574478767 949717353 /nfs/dbraw/zinc/71/73/53/949717353.db2.gz AIYVXNPHGXOXKZ-NEPJUHHUSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574478767 949717336 /nfs/dbraw/zinc/71/73/36/949717336.db2.gz AIYVXNPHGXOXKZ-NEPJUHHUSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](CN(C)c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574478768 949716806 /nfs/dbraw/zinc/71/68/06/949716806.db2.gz AIYVXNPHGXOXKZ-NWDGAFQWSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](CN(C)c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574478768 949716796 /nfs/dbraw/zinc/71/67/96/949716796.db2.gz AIYVXNPHGXOXKZ-NWDGAFQWSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574478769 949717868 /nfs/dbraw/zinc/71/78/68/949717868.db2.gz AIYVXNPHGXOXKZ-RYUDHWBXSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](CN(C)c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574478769 949717852 /nfs/dbraw/zinc/71/78/52/949717852.db2.gz AIYVXNPHGXOXKZ-RYUDHWBXSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](CN(C)c2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574478770 949719050 /nfs/dbraw/zinc/71/90/50/949719050.db2.gz AIYVXNPHGXOXKZ-VXGBXAGGSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](CN(C)c2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574478770 949719032 /nfs/dbraw/zinc/71/90/32/949719032.db2.gz AIYVXNPHGXOXKZ-VXGBXAGGSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574479031 949728832 /nfs/dbraw/zinc/72/88/32/949728832.db2.gz CDRLFIPNGGHSFR-NEPJUHHUSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574479031 949728816 /nfs/dbraw/zinc/72/88/16/949728816.db2.gz CDRLFIPNGGHSFR-NEPJUHHUSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574479032 949729264 /nfs/dbraw/zinc/72/92/64/949729264.db2.gz CDRLFIPNGGHSFR-NWDGAFQWSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574479032 949729250 /nfs/dbraw/zinc/72/92/50/949729250.db2.gz CDRLFIPNGGHSFR-NWDGAFQWSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574479033 949730813 /nfs/dbraw/zinc/73/08/13/949730813.db2.gz CDRLFIPNGGHSFR-RYUDHWBXSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574479033 949730799 /nfs/dbraw/zinc/73/07/99/949730799.db2.gz CDRLFIPNGGHSFR-RYUDHWBXSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574479035 949726695 /nfs/dbraw/zinc/72/66/95/949726695.db2.gz CDRLFIPNGGHSFR-VXGBXAGGSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574479035 949726689 /nfs/dbraw/zinc/72/66/89/949726689.db2.gz CDRLFIPNGGHSFR-VXGBXAGGSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574479321 949732220 /nfs/dbraw/zinc/73/22/20/949732220.db2.gz DQDZBKCIWMXANR-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574479321 949732202 /nfs/dbraw/zinc/73/22/02/949732202.db2.gz DQDZBKCIWMXANR-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574479322 949734337 /nfs/dbraw/zinc/73/43/37/949734337.db2.gz DQDZBKCIWMXANR-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574479322 949734326 /nfs/dbraw/zinc/73/43/26/949734326.db2.gz DQDZBKCIWMXANR-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574479324 949733770 /nfs/dbraw/zinc/73/37/70/949733770.db2.gz DQDZBKCIWMXANR-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574479324 949733761 /nfs/dbraw/zinc/73/37/61/949733761.db2.gz DQDZBKCIWMXANR-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(N)=O ZINC001574479325 949733260 /nfs/dbraw/zinc/73/32/60/949733260.db2.gz DQDZBKCIWMXANR-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H]1CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(N)=O ZINC001574479325 949733252 /nfs/dbraw/zinc/73/32/52/949733252.db2.gz DQDZBKCIWMXANR-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)NC(N)=O ZINC001574479374 949734075 /nfs/dbraw/zinc/73/40/75/949734075.db2.gz DXODYEWMEKITPB-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)NC(N)=O ZINC001574479374 949734066 /nfs/dbraw/zinc/73/40/66/949734066.db2.gz DXODYEWMEKITPB-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)NC(N)=O ZINC001574479377 949735637 /nfs/dbraw/zinc/73/56/37/949735637.db2.gz DXODYEWMEKITPB-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)NC(N)=O ZINC001574479377 949735621 /nfs/dbraw/zinc/73/56/21/949735621.db2.gz DXODYEWMEKITPB-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)NC(N)=O ZINC001574479378 949734846 /nfs/dbraw/zinc/73/48/46/949734846.db2.gz DXODYEWMEKITPB-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)NC(N)=O ZINC001574479378 949734830 /nfs/dbraw/zinc/73/48/30/949734830.db2.gz DXODYEWMEKITPB-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)NC(N)=O ZINC001574479379 949732435 /nfs/dbraw/zinc/73/24/35/949732435.db2.gz DXODYEWMEKITPB-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](N(C)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)NC(N)=O ZINC001574479379 949732410 /nfs/dbraw/zinc/73/24/10/949732410.db2.gz DXODYEWMEKITPB-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574480089 949743645 /nfs/dbraw/zinc/74/36/45/949743645.db2.gz GUPRDCXFSDLJNE-NEPJUHHUSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574480089 949743624 /nfs/dbraw/zinc/74/36/24/949743624.db2.gz GUPRDCXFSDLJNE-NEPJUHHUSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574480091 949742848 /nfs/dbraw/zinc/74/28/48/949742848.db2.gz GUPRDCXFSDLJNE-NWDGAFQWSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574480091 949742835 /nfs/dbraw/zinc/74/28/35/949742835.db2.gz GUPRDCXFSDLJNE-NWDGAFQWSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574480095 949745437 /nfs/dbraw/zinc/74/54/37/949745437.db2.gz GUPRDCXFSDLJNE-RYUDHWBXSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574480095 949745424 /nfs/dbraw/zinc/74/54/24/949745424.db2.gz GUPRDCXFSDLJNE-RYUDHWBXSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574480099 949744070 /nfs/dbraw/zinc/74/40/70/949744070.db2.gz GUPRDCXFSDLJNE-VXGBXAGGSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574480099 949744053 /nfs/dbraw/zinc/74/40/53/949744053.db2.gz GUPRDCXFSDLJNE-VXGBXAGGSA-N -1 3 387.448 -0.007 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574481444 949779053 /nfs/dbraw/zinc/77/90/53/949779053.db2.gz PXVWLZMQNPKFRU-GXSJLCMTSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574481444 949779036 /nfs/dbraw/zinc/77/90/36/949779036.db2.gz PXVWLZMQNPKFRU-GXSJLCMTSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574481445 949776702 /nfs/dbraw/zinc/77/67/02/949776702.db2.gz PXVWLZMQNPKFRU-KOLCDFICSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574481445 949776683 /nfs/dbraw/zinc/77/66/83/949776683.db2.gz PXVWLZMQNPKFRU-KOLCDFICSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574481446 949779505 /nfs/dbraw/zinc/77/95/05/949779505.db2.gz PXVWLZMQNPKFRU-MWLCHTKSSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574481446 949779488 /nfs/dbraw/zinc/77/94/88/949779488.db2.gz PXVWLZMQNPKFRU-MWLCHTKSSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](N(C)c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574481447 949778621 /nfs/dbraw/zinc/77/86/21/949778621.db2.gz PXVWLZMQNPKFRU-ONGXEEELSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](N(C)c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574481447 949778602 /nfs/dbraw/zinc/77/86/02/949778602.db2.gz PXVWLZMQNPKFRU-ONGXEEELSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(N)=O ZINC001574481494 949781782 /nfs/dbraw/zinc/78/17/82/949781782.db2.gz QNQODGATDFPBHR-NXEZZACHSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(N)=O ZINC001574481494 949781775 /nfs/dbraw/zinc/78/17/75/949781775.db2.gz QNQODGATDFPBHR-NXEZZACHSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(N)=O ZINC001574481495 949783281 /nfs/dbraw/zinc/78/32/81/949783281.db2.gz QNQODGATDFPBHR-UWVGGRQHSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(N)=O ZINC001574481495 949783257 /nfs/dbraw/zinc/78/32/57/949783257.db2.gz QNQODGATDFPBHR-UWVGGRQHSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(N)=O ZINC001574481496 949782763 /nfs/dbraw/zinc/78/27/63/949782763.db2.gz QNQODGATDFPBHR-VHSXEESVSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(N)=O ZINC001574481496 949782746 /nfs/dbraw/zinc/78/27/46/949782746.db2.gz QNQODGATDFPBHR-VHSXEESVSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(N)=O ZINC001574481497 949785185 /nfs/dbraw/zinc/78/51/85/949785185.db2.gz QNQODGATDFPBHR-ZJUUUORDSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(N)=O ZINC001574481497 949785174 /nfs/dbraw/zinc/78/51/74/949785174.db2.gz QNQODGATDFPBHR-ZJUUUORDSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574481604 949789674 /nfs/dbraw/zinc/78/96/74/949789674.db2.gz RYJQZHYVVWODPT-PSASIEDQSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574481604 949789659 /nfs/dbraw/zinc/78/96/59/949789659.db2.gz RYJQZHYVVWODPT-PSASIEDQSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574481605 949788977 /nfs/dbraw/zinc/78/89/77/949788977.db2.gz RYJQZHYVVWODPT-SCZZXKLOSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574481605 949788968 /nfs/dbraw/zinc/78/89/68/949788968.db2.gz RYJQZHYVVWODPT-SCZZXKLOSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574481606 949788670 /nfs/dbraw/zinc/78/86/70/949788670.db2.gz RYJQZHYVVWODPT-WCBMZHEXSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574481606 949788656 /nfs/dbraw/zinc/78/86/56/949788656.db2.gz RYJQZHYVVWODPT-WCBMZHEXSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574481607 949789513 /nfs/dbraw/zinc/78/95/13/949789513.db2.gz RYJQZHYVVWODPT-WPRPVWTQSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574481607 949789496 /nfs/dbraw/zinc/78/94/96/949789496.db2.gz RYJQZHYVVWODPT-WPRPVWTQSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574481698 949792850 /nfs/dbraw/zinc/79/28/50/949792850.db2.gz UEVISXMZISDUMU-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574481698 949792830 /nfs/dbraw/zinc/79/28/30/949792830.db2.gz UEVISXMZISDUMU-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574481699 949793843 /nfs/dbraw/zinc/79/38/43/949793843.db2.gz UEVISXMZISDUMU-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574481699 949793828 /nfs/dbraw/zinc/79/38/28/949793828.db2.gz UEVISXMZISDUMU-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574481700 949791541 /nfs/dbraw/zinc/79/15/41/949791541.db2.gz UEVISXMZISDUMU-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574481700 949791530 /nfs/dbraw/zinc/79/15/30/949791530.db2.gz UEVISXMZISDUMU-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574481701 949793213 /nfs/dbraw/zinc/79/32/13/949793213.db2.gz UEVISXMZISDUMU-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574481701 949793193 /nfs/dbraw/zinc/79/31/93/949793193.db2.gz UEVISXMZISDUMU-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)NC(N)=O ZINC001574482038 949818687 /nfs/dbraw/zinc/81/86/87/949818687.db2.gz ZKZKKRAIYOFJBL-NXEZZACHSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)NC(N)=O ZINC001574482038 949818666 /nfs/dbraw/zinc/81/86/66/949818666.db2.gz ZKZKKRAIYOFJBL-NXEZZACHSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)NC(N)=O ZINC001574482039 949819092 /nfs/dbraw/zinc/81/90/92/949819092.db2.gz ZKZKKRAIYOFJBL-UWVGGRQHSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)NC(N)=O ZINC001574482039 949819066 /nfs/dbraw/zinc/81/90/66/949819066.db2.gz ZKZKKRAIYOFJBL-UWVGGRQHSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)NC(N)=O ZINC001574482040 949821997 /nfs/dbraw/zinc/82/19/97/949821997.db2.gz ZKZKKRAIYOFJBL-VHSXEESVSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)NC(N)=O ZINC001574482040 949821973 /nfs/dbraw/zinc/82/19/73/949821973.db2.gz ZKZKKRAIYOFJBL-VHSXEESVSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1)NC(N)=O ZINC001574482041 949818005 /nfs/dbraw/zinc/81/80/05/949818005.db2.gz ZKZKKRAIYOFJBL-ZJUUUORDSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1)NC(N)=O ZINC001574482041 949817987 /nfs/dbraw/zinc/81/79/87/949817987.db2.gz ZKZKKRAIYOFJBL-ZJUUUORDSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574482042 949821465 /nfs/dbraw/zinc/82/14/65/949821465.db2.gz ZRFHEXDJPJTUIJ-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482042 949821437 /nfs/dbraw/zinc/82/14/37/949821437.db2.gz ZRFHEXDJPJTUIJ-GXSJLCMTSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574482043 949821711 /nfs/dbraw/zinc/82/17/11/949821711.db2.gz ZRFHEXDJPJTUIJ-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482043 949821685 /nfs/dbraw/zinc/82/16/85/949821685.db2.gz ZRFHEXDJPJTUIJ-KOLCDFICSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574482044 949820534 /nfs/dbraw/zinc/82/05/34/949820534.db2.gz ZRFHEXDJPJTUIJ-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CC[C@@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482044 949820515 /nfs/dbraw/zinc/82/05/15/949820515.db2.gz ZRFHEXDJPJTUIJ-MWLCHTKSSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)NC(N)=O ZINC001574482045 949822974 /nfs/dbraw/zinc/82/29/74/949822974.db2.gz ZRFHEXDJPJTUIJ-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H](N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)NC(N)=O ZINC001574482045 949822959 /nfs/dbraw/zinc/82/29/59/949822959.db2.gz ZRFHEXDJPJTUIJ-ONGXEEELSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CC(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)NC(N)=O ZINC001574483491 949821133 /nfs/dbraw/zinc/82/11/33/949821133.db2.gz AFARCZQDDZVORC-SECBINFHSA-N -1 3 377.384 -0.504 20 0 GBADHM C[C@H](CC(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)NC(N)=O ZINC001574483491 949821115 /nfs/dbraw/zinc/82/11/15/949821115.db2.gz AFARCZQDDZVORC-SECBINFHSA-N -1 3 377.384 -0.504 20 0 GBADHM C[C@@H](CC(=O)N1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)NC(N)=O ZINC001574483492 949820725 /nfs/dbraw/zinc/82/07/25/949820725.db2.gz AFARCZQDDZVORC-VIFPVBQESA-N -1 3 377.384 -0.504 20 0 GBADHM C[C@@H](CC(=O)N1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)NC(N)=O ZINC001574483492 949820707 /nfs/dbraw/zinc/82/07/07/949820707.db2.gz AFARCZQDDZVORC-VIFPVBQESA-N -1 3 377.384 -0.504 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)NC(N)=O ZINC001574483641 949833987 /nfs/dbraw/zinc/83/39/87/949833987.db2.gz GYGDKOPSCFDOFN-KGYLQXTDSA-N -1 3 385.432 -0.254 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)NC(N)=O ZINC001574483641 949833964 /nfs/dbraw/zinc/83/39/64/949833964.db2.gz GYGDKOPSCFDOFN-KGYLQXTDSA-N -1 3 385.432 -0.254 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21)NC(N)=O ZINC001574483642 949834135 /nfs/dbraw/zinc/83/41/35/949834135.db2.gz GYGDKOPSCFDOFN-WCFLWFBJSA-N -1 3 385.432 -0.254 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21)NC(N)=O ZINC001574483642 949834110 /nfs/dbraw/zinc/83/41/10/949834110.db2.gz GYGDKOPSCFDOFN-WCFLWFBJSA-N -1 3 385.432 -0.254 20 0 GBADHM C[C@@H](CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574483675 949839961 /nfs/dbraw/zinc/83/99/61/949839961.db2.gz IEWUIPVCFBJYJY-CMPLNLGQSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574483675 949839939 /nfs/dbraw/zinc/83/99/39/949839939.db2.gz IEWUIPVCFBJYJY-CMPLNLGQSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574483676 949839886 /nfs/dbraw/zinc/83/98/86/949839886.db2.gz IEWUIPVCFBJYJY-JQWIXIFHSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574483676 949839869 /nfs/dbraw/zinc/83/98/69/949839869.db2.gz IEWUIPVCFBJYJY-JQWIXIFHSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@H](CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574483677 949835025 /nfs/dbraw/zinc/83/50/25/949835025.db2.gz IEWUIPVCFBJYJY-PWSUYJOCSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@H](CC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574483677 949835008 /nfs/dbraw/zinc/83/50/08/949835008.db2.gz IEWUIPVCFBJYJY-PWSUYJOCSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@H](CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)nc2)C1)NC(N)=O ZINC001574483678 949835905 /nfs/dbraw/zinc/83/59/05/949835905.db2.gz IEWUIPVCFBJYJY-ZYHUDNBSSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@H](CC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)nc2)C1)NC(N)=O ZINC001574483678 949835892 /nfs/dbraw/zinc/83/58/92/949835892.db2.gz IEWUIPVCFBJYJY-ZYHUDNBSSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)NC(N)=O ZINC001574483861 949844208 /nfs/dbraw/zinc/84/42/08/949844208.db2.gz NUYONRWVHVWFCM-COPLHBTASA-N -1 3 385.432 -0.254 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)NC(N)=O ZINC001574483861 949844186 /nfs/dbraw/zinc/84/41/86/949844186.db2.gz NUYONRWVHVWFCM-COPLHBTASA-N -1 3 385.432 -0.254 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)NC(N)=O ZINC001574483862 949841579 /nfs/dbraw/zinc/84/15/79/949841579.db2.gz NUYONRWVHVWFCM-UHIISALHSA-N -1 3 385.432 -0.254 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)NC(N)=O ZINC001574483862 949841563 /nfs/dbraw/zinc/84/15/63/949841563.db2.gz NUYONRWVHVWFCM-UHIISALHSA-N -1 3 385.432 -0.254 20 0 GBADHM C[C@H](CC(=O)N1CCO[C@H](CNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484065 949858206 /nfs/dbraw/zinc/85/82/06/949858206.db2.gz SOQKICAYSKAEGM-GHMZBOCLSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@H](CC(=O)N1CCO[C@H](CNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484065 949858187 /nfs/dbraw/zinc/85/81/87/949858187.db2.gz SOQKICAYSKAEGM-GHMZBOCLSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@H](CC(=O)N1CCO[C@@H](CNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484066 949859603 /nfs/dbraw/zinc/85/96/03/949859603.db2.gz SOQKICAYSKAEGM-MNOVXSKESA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@H](CC(=O)N1CCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484066 949859588 /nfs/dbraw/zinc/85/95/88/949859588.db2.gz SOQKICAYSKAEGM-MNOVXSKESA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CCO[C@@H](CNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484067 949858140 /nfs/dbraw/zinc/85/81/40/949858140.db2.gz SOQKICAYSKAEGM-QWRGUYRKSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CCO[C@@H](CNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484067 949858121 /nfs/dbraw/zinc/85/81/21/949858121.db2.gz SOQKICAYSKAEGM-QWRGUYRKSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CCO[C@H](CNc2ncccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574484068 949858796 /nfs/dbraw/zinc/85/87/96/949858796.db2.gz SOQKICAYSKAEGM-WDEREUQCSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CCO[C@H](CNc2ncccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574484068 949858773 /nfs/dbraw/zinc/85/87/73/949858773.db2.gz SOQKICAYSKAEGM-WDEREUQCSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574484107 949860287 /nfs/dbraw/zinc/86/02/87/949860287.db2.gz VKXYUXSITJWTQM-CMPLNLGQSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574484107 949860260 /nfs/dbraw/zinc/86/02/60/949860260.db2.gz VKXYUXSITJWTQM-CMPLNLGQSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574484108 949862008 /nfs/dbraw/zinc/86/20/08/949862008.db2.gz VKXYUXSITJWTQM-JQWIXIFHSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574484108 949861987 /nfs/dbraw/zinc/86/19/87/949861987.db2.gz VKXYUXSITJWTQM-JQWIXIFHSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@H](CC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574484109 949861137 /nfs/dbraw/zinc/86/11/37/949861137.db2.gz VKXYUXSITJWTQM-PWSUYJOCSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@H](CC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574484109 949861118 /nfs/dbraw/zinc/86/11/18/949861118.db2.gz VKXYUXSITJWTQM-PWSUYJOCSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@H](CC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)cn2)C1)NC(N)=O ZINC001574484110 949860843 /nfs/dbraw/zinc/86/08/43/949860843.db2.gz VKXYUXSITJWTQM-ZYHUDNBSSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@H](CC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)cn2)C1)NC(N)=O ZINC001574484110 949860827 /nfs/dbraw/zinc/86/08/27/949860827.db2.gz VKXYUXSITJWTQM-ZYHUDNBSSA-N -1 3 389.420 -0.652 20 0 GBADHM C[C@@H](CC(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)NC(N)=O ZINC001574484811 949906884 /nfs/dbraw/zinc/90/68/84/949906884.db2.gz OYQRGVVVKKCIDY-JTQLQIEISA-N -1 3 389.420 -0.684 20 0 GBADHM C[C@@H](CC(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)NC(N)=O ZINC001574484811 949906867 /nfs/dbraw/zinc/90/68/67/949906867.db2.gz OYQRGVVVKKCIDY-JTQLQIEISA-N -1 3 389.420 -0.684 20 0 GBADHM C[C@H](CC(=O)N1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1)NC(N)=O ZINC001574484812 949905967 /nfs/dbraw/zinc/90/59/67/949905967.db2.gz OYQRGVVVKKCIDY-SNVBAGLBSA-N -1 3 389.420 -0.684 20 0 GBADHM C[C@H](CC(=O)N1CCCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1)NC(N)=O ZINC001574484812 949905932 /nfs/dbraw/zinc/90/59/32/949905932.db2.gz OYQRGVVVKKCIDY-SNVBAGLBSA-N -1 3 389.420 -0.684 20 0 GBADHM C[C@@H](CC(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)NC(N)=O ZINC001574484939 949916159 /nfs/dbraw/zinc/91/61/59/949916159.db2.gz SCJCVFNIUVYACU-JTQLQIEISA-N -1 3 389.420 -0.684 20 0 GBADHM C[C@@H](CC(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)NC(N)=O ZINC001574484939 949916141 /nfs/dbraw/zinc/91/61/41/949916141.db2.gz SCJCVFNIUVYACU-JTQLQIEISA-N -1 3 389.420 -0.684 20 0 GBADHM C[C@H](CC(=O)N1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1)NC(N)=O ZINC001574484940 949913783 /nfs/dbraw/zinc/91/37/83/949913783.db2.gz SCJCVFNIUVYACU-SNVBAGLBSA-N -1 3 389.420 -0.684 20 0 GBADHM C[C@H](CC(=O)N1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1)NC(N)=O ZINC001574484940 949913773 /nfs/dbraw/zinc/91/37/73/949913773.db2.gz SCJCVFNIUVYACU-SNVBAGLBSA-N -1 3 389.420 -0.684 20 0 GBADHM C[C@@H](CC(=O)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)NC(N)=O ZINC001574485207 949920897 /nfs/dbraw/zinc/92/08/97/949920897.db2.gz VCOHSACLYHJKLK-JTQLQIEISA-N -1 3 389.420 -0.684 20 0 GBADHM C[C@@H](CC(=O)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)NC(N)=O ZINC001574485207 949920876 /nfs/dbraw/zinc/92/08/76/949920876.db2.gz VCOHSACLYHJKLK-JTQLQIEISA-N -1 3 389.420 -0.684 20 0 GBADHM C[C@H](CC(=O)N1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1)NC(N)=O ZINC001574485209 949921627 /nfs/dbraw/zinc/92/16/27/949921627.db2.gz VCOHSACLYHJKLK-SNVBAGLBSA-N -1 3 389.420 -0.684 20 0 GBADHM C[C@H](CC(=O)N1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1)NC(N)=O ZINC001574485209 949921610 /nfs/dbraw/zinc/92/16/10/949921610.db2.gz VCOHSACLYHJKLK-SNVBAGLBSA-N -1 3 389.420 -0.684 20 0 GBADHM C[C@@H](CC(=O)N1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)NC(N)=O ZINC001574485308 949926511 /nfs/dbraw/zinc/92/65/11/949926511.db2.gz WYDTXRBRFZDUMO-JTQLQIEISA-N -1 3 391.411 -0.114 20 0 GBADHM C[C@@H](CC(=O)N1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)NC(N)=O ZINC001574485308 949926490 /nfs/dbraw/zinc/92/64/90/949926490.db2.gz WYDTXRBRFZDUMO-JTQLQIEISA-N -1 3 391.411 -0.114 20 0 GBADHM C[C@H](CC(=O)N1CCCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)NC(N)=O ZINC001574485309 949927844 /nfs/dbraw/zinc/92/78/44/949927844.db2.gz WYDTXRBRFZDUMO-SNVBAGLBSA-N -1 3 391.411 -0.114 20 0 GBADHM C[C@H](CC(=O)N1CCCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)NC(N)=O ZINC001574485309 949927831 /nfs/dbraw/zinc/92/78/31/949927831.db2.gz WYDTXRBRFZDUMO-SNVBAGLBSA-N -1 3 391.411 -0.114 20 0 GBADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574487631 949930503 /nfs/dbraw/zinc/93/05/03/949930503.db2.gz AOSNJGULBPMUNF-GHMZBOCLSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574487631 949930481 /nfs/dbraw/zinc/93/04/81/949930481.db2.gz AOSNJGULBPMUNF-GHMZBOCLSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574487632 949929534 /nfs/dbraw/zinc/92/95/34/949929534.db2.gz AOSNJGULBPMUNF-MNOVXSKESA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574487632 949929519 /nfs/dbraw/zinc/92/95/19/949929519.db2.gz AOSNJGULBPMUNF-MNOVXSKESA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574487634 949931485 /nfs/dbraw/zinc/93/14/85/949931485.db2.gz AOSNJGULBPMUNF-QWRGUYRKSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574487634 949931472 /nfs/dbraw/zinc/93/14/72/949931472.db2.gz AOSNJGULBPMUNF-QWRGUYRKSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574487636 949931086 /nfs/dbraw/zinc/93/10/86/949931086.db2.gz AOSNJGULBPMUNF-WDEREUQCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574487636 949931077 /nfs/dbraw/zinc/93/10/77/949931077.db2.gz AOSNJGULBPMUNF-WDEREUQCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)NC(N)=O ZINC001574487684 949938104 /nfs/dbraw/zinc/93/81/04/949938104.db2.gz BCIHTACGSWRQOY-GMXVVIOVSA-N -1 3 385.432 -0.254 20 0 GBADHM C[C@@H](CC(=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)NC(N)=O ZINC001574487684 949938084 /nfs/dbraw/zinc/93/80/84/949938084.db2.gz BCIHTACGSWRQOY-GMXVVIOVSA-N -1 3 385.432 -0.254 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)NC(N)=O ZINC001574487687 949938533 /nfs/dbraw/zinc/93/85/33/949938533.db2.gz BCIHTACGSWRQOY-NTZNESFSSA-N -1 3 385.432 -0.254 20 0 GBADHM C[C@H](CC(=O)N1CC[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)NC(N)=O ZINC001574487687 949938513 /nfs/dbraw/zinc/93/85/13/949938513.db2.gz BCIHTACGSWRQOY-NTZNESFSSA-N -1 3 385.432 -0.254 20 0 GBADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001574488009 949936561 /nfs/dbraw/zinc/93/65/61/949936561.db2.gz BWRBZSQZIBVCMG-APPZFPTMSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001574488009 949936547 /nfs/dbraw/zinc/93/65/47/949936547.db2.gz BWRBZSQZIBVCMG-APPZFPTMSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001574488010 949937457 /nfs/dbraw/zinc/93/74/57/949937457.db2.gz BWRBZSQZIBVCMG-CBAPKCEASA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001574488010 949937432 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DILZHWBXUCCIFS-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574488092 949942365 /nfs/dbraw/zinc/94/23/65/949942365.db2.gz DILZHWBXUCCIFS-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574488092 949942350 /nfs/dbraw/zinc/94/23/50/949942350.db2.gz DILZHWBXUCCIFS-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574488417 949947897 /nfs/dbraw/zinc/94/78/97/949947897.db2.gz FPFXNQFJVWJUQT-AAEUAGOBSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574488417 949947871 /nfs/dbraw/zinc/94/78/71/949947871.db2.gz FPFXNQFJVWJUQT-AAEUAGOBSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574488418 949946965 /nfs/dbraw/zinc/94/69/65/949946965.db2.gz FPFXNQFJVWJUQT-DGCLKSJQSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574488418 949946950 /nfs/dbraw/zinc/94/69/50/949946950.db2.gz FPFXNQFJVWJUQT-DGCLKSJQSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574488419 949949370 /nfs/dbraw/zinc/94/93/70/949949370.db2.gz FPFXNQFJVWJUQT-WCQYABFASA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574488419 949949356 /nfs/dbraw/zinc/94/93/56/949949356.db2.gz FPFXNQFJVWJUQT-WCQYABFASA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccc1 ZINC001574488420 949949852 /nfs/dbraw/zinc/94/98/52/949949852.db2.gz FPFXNQFJVWJUQT-YPMHNXCESA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccc1 ZINC001574488420 949949828 /nfs/dbraw/zinc/94/98/28/949949828.db2.gz FPFXNQFJVWJUQT-YPMHNXCESA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1)NC(N)=O ZINC001574488451 949954112 /nfs/dbraw/zinc/95/41/12/949954112.db2.gz GLEFPKAGWMNDGF-RTXFEEFZSA-N -1 3 385.432 -0.397 20 0 GBADHM C[C@H](CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1)NC(N)=O ZINC001574488451 949954093 /nfs/dbraw/zinc/95/40/93/949954093.db2.gz GLEFPKAGWMNDGF-RTXFEEFZSA-N -1 3 385.432 -0.397 20 0 GBADHM C[C@@H](CC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1)NC(N)=O ZINC001574488452 949955178 /nfs/dbraw/zinc/95/51/78/949955178.db2.gz GLEFPKAGWMNDGF-WCFLWFBJSA-N -1 3 385.432 -0.397 20 0 GBADHM C[C@@H](CC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1)NC(N)=O ZINC001574488452 949955162 /nfs/dbraw/zinc/95/51/62/949955162.db2.gz GLEFPKAGWMNDGF-WCFLWFBJSA-N -1 3 385.432 -0.397 20 0 GBADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574488927 949952804 /nfs/dbraw/zinc/95/28/04/949952804.db2.gz HGIPQIMHVZPCLW-NEPJUHHUSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574488927 949952782 /nfs/dbraw/zinc/95/27/82/949952782.db2.gz HGIPQIMHVZPCLW-NEPJUHHUSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574488928 949951714 /nfs/dbraw/zinc/95/17/14/949951714.db2.gz HGIPQIMHVZPCLW-NWDGAFQWSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574488928 949951695 /nfs/dbraw/zinc/95/16/95/949951695.db2.gz HGIPQIMHVZPCLW-NWDGAFQWSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574488929 949953984 /nfs/dbraw/zinc/95/39/84/949953984.db2.gz HGIPQIMHVZPCLW-RYUDHWBXSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574488929 949953963 /nfs/dbraw/zinc/95/39/63/949953963.db2.gz HGIPQIMHVZPCLW-RYUDHWBXSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574488931 949955336 /nfs/dbraw/zinc/95/53/36/949955336.db2.gz HGIPQIMHVZPCLW-VXGBXAGGSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574488931 949955316 /nfs/dbraw/zinc/95/53/16/949955316.db2.gz HGIPQIMHVZPCLW-VXGBXAGGSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574489616 949964605 /nfs/dbraw/zinc/96/46/05/949964605.db2.gz JWAMWFJQCDSUNU-AAEUAGOBSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574489616 949964592 /nfs/dbraw/zinc/96/45/92/949964592.db2.gz JWAMWFJQCDSUNU-AAEUAGOBSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574489617 949965540 /nfs/dbraw/zinc/96/55/40/949965540.db2.gz JWAMWFJQCDSUNU-DGCLKSJQSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574489617 949965521 /nfs/dbraw/zinc/96/55/21/949965521.db2.gz JWAMWFJQCDSUNU-DGCLKSJQSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574489618 949966024 /nfs/dbraw/zinc/96/60/24/949966024.db2.gz JWAMWFJQCDSUNU-WCQYABFASA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574489618 949966003 /nfs/dbraw/zinc/96/60/03/949966003.db2.gz JWAMWFJQCDSUNU-WCQYABFASA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574489620 949961688 /nfs/dbraw/zinc/96/16/88/949961688.db2.gz JWAMWFJQCDSUNU-YPMHNXCESA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574489620 949961668 /nfs/dbraw/zinc/96/16/68/949961668.db2.gz JWAMWFJQCDSUNU-YPMHNXCESA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574489998 949976178 /nfs/dbraw/zinc/97/61/78/949976178.db2.gz MNGHYMXYSDQXFD-LSJOCFKGSA-N -1 3 387.404 -0.933 20 0 GBADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574489998 949976164 /nfs/dbraw/zinc/97/61/64/949976164.db2.gz MNGHYMXYSDQXFD-LSJOCFKGSA-N -1 3 387.404 -0.933 20 0 GBADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(N)=O ZINC001574489999 949973774 /nfs/dbraw/zinc/97/37/74/949973774.db2.gz MNGHYMXYSDQXFD-MIMYLULJSA-N -1 3 387.404 -0.933 20 0 GBADHM C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(N)=O ZINC001574489999 949973760 /nfs/dbraw/zinc/97/37/60/949973760.db2.gz MNGHYMXYSDQXFD-MIMYLULJSA-N -1 3 387.404 -0.933 20 0 GBADHM C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574490160 949981403 /nfs/dbraw/zinc/98/14/03/949981403.db2.gz NTSNSOROPAVZOO-LSJOCFKGSA-N -1 3 389.395 -0.363 20 0 GBADHM 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ZEFLOSXCUOAMTA-WDEREUQCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574490792 950018535 /nfs/dbraw/zinc/01/85/35/950018535.db2.gz ZEFLOSXCUOAMTA-WDEREUQCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574490843 950022306 /nfs/dbraw/zinc/02/23/06/950022306.db2.gz ZZSWCFRTENBLNB-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574490843 950022289 /nfs/dbraw/zinc/02/22/89/950022289.db2.gz ZZSWCFRTENBLNB-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574490844 950025316 /nfs/dbraw/zinc/02/53/16/950025316.db2.gz ZZSWCFRTENBLNB-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574490844 950025293 /nfs/dbraw/zinc/02/52/93/950025293.db2.gz ZZSWCFRTENBLNB-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574490845 950026142 /nfs/dbraw/zinc/02/61/42/950026142.db2.gz ZZSWCFRTENBLNB-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)N[C@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574490845 950026119 /nfs/dbraw/zinc/02/61/19/950026119.db2.gz ZZSWCFRTENBLNB-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574490846 950022820 /nfs/dbraw/zinc/02/28/20/950022820.db2.gz ZZSWCFRTENBLNB-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)N[C@@H](CO)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574490846 950022799 /nfs/dbraw/zinc/02/27/99/950022799.db2.gz ZZSWCFRTENBLNB-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001574492552 950092408 /nfs/dbraw/zinc/09/24/08/950092408.db2.gz BDFUVZXZIXRMLX-HTQZYQBOSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001574492552 950092385 /nfs/dbraw/zinc/09/23/85/950092385.db2.gz BDFUVZXZIXRMLX-HTQZYQBOSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001574492553 950092056 /nfs/dbraw/zinc/09/20/56/950092056.db2.gz BDFUVZXZIXRMLX-JGVFFNPUSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001574492553 950092036 /nfs/dbraw/zinc/09/20/36/950092036.db2.gz BDFUVZXZIXRMLX-JGVFFNPUSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001574492554 950095083 /nfs/dbraw/zinc/09/50/83/950095083.db2.gz BDFUVZXZIXRMLX-SFYZADRCSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001574492554 950095062 /nfs/dbraw/zinc/09/50/62/950095062.db2.gz BDFUVZXZIXRMLX-SFYZADRCSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001574492555 950093859 /nfs/dbraw/zinc/09/38/59/950093859.db2.gz BDFUVZXZIXRMLX-YUMQZZPRSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001574492555 950093842 /nfs/dbraw/zinc/09/38/42/950093842.db2.gz BDFUVZXZIXRMLX-YUMQZZPRSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574492841 950107682 /nfs/dbraw/zinc/10/76/82/950107682.db2.gz DFAKLAPTQCPLAB-GHMZBOCLSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574492841 950107673 /nfs/dbraw/zinc/10/76/73/950107673.db2.gz DFAKLAPTQCPLAB-GHMZBOCLSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574492844 950107801 /nfs/dbraw/zinc/10/78/01/950107801.db2.gz DFAKLAPTQCPLAB-MNOVXSKESA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574492844 950107788 /nfs/dbraw/zinc/10/77/88/950107788.db2.gz DFAKLAPTQCPLAB-MNOVXSKESA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574492845 950106760 /nfs/dbraw/zinc/10/67/60/950106760.db2.gz DFAKLAPTQCPLAB-QWRGUYRKSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574492845 950106747 /nfs/dbraw/zinc/10/67/47/950106747.db2.gz DFAKLAPTQCPLAB-QWRGUYRKSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574492846 950107741 /nfs/dbraw/zinc/10/77/41/950107741.db2.gz DFAKLAPTQCPLAB-WDEREUQCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574492846 950107727 /nfs/dbraw/zinc/10/77/27/950107727.db2.gz DFAKLAPTQCPLAB-WDEREUQCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)NC(N)=O ZINC001574493170 950119600 /nfs/dbraw/zinc/11/96/00/950119600.db2.gz FBPSDYVBNBWIIC-SECBINFHSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)NC(N)=O ZINC001574493170 950119590 /nfs/dbraw/zinc/11/95/90/950119590.db2.gz FBPSDYVBNBWIIC-SECBINFHSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)NC1CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1)NC(N)=O ZINC001574493171 950116380 /nfs/dbraw/zinc/11/63/80/950116380.db2.gz FBPSDYVBNBWIIC-VIFPVBQESA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)NC1CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1)NC(N)=O ZINC001574493171 950116358 /nfs/dbraw/zinc/11/63/58/950116358.db2.gz FBPSDYVBNBWIIC-VIFPVBQESA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574493216 950116448 /nfs/dbraw/zinc/11/64/48/950116448.db2.gz FNABEBGCNVOYMN-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574493217 950118103 /nfs/dbraw/zinc/11/81/03/950118103.db2.gz FNABEBGCNVOYMN-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574493218 950117937 /nfs/dbraw/zinc/11/79/37/950117937.db2.gz FNABEBGCNVOYMN-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574493219 950118550 /nfs/dbraw/zinc/11/85/50/950118550.db2.gz FNABEBGCNVOYMN-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574493259 950123374 /nfs/dbraw/zinc/12/33/74/950123374.db2.gz RMOCCOLXFMYXTL-GXSJLCMTSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574493259 950123362 /nfs/dbraw/zinc/12/33/62/950123362.db2.gz RMOCCOLXFMYXTL-GXSJLCMTSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574493260 950123899 /nfs/dbraw/zinc/12/38/99/950123899.db2.gz RMOCCOLXFMYXTL-KOLCDFICSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574493260 950123889 /nfs/dbraw/zinc/12/38/89/950123889.db2.gz RMOCCOLXFMYXTL-KOLCDFICSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574493261 950124235 /nfs/dbraw/zinc/12/42/35/950124235.db2.gz RMOCCOLXFMYXTL-MWLCHTKSSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574493261 950124228 /nfs/dbraw/zinc/12/42/28/950124228.db2.gz RMOCCOLXFMYXTL-MWLCHTKSSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574493262 950123333 /nfs/dbraw/zinc/12/33/33/950123333.db2.gz RMOCCOLXFMYXTL-ONGXEEELSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574493262 950123323 /nfs/dbraw/zinc/12/33/23/950123323.db2.gz RMOCCOLXFMYXTL-ONGXEEELSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574493476 950133153 /nfs/dbraw/zinc/13/31/53/950133153.db2.gz HFPKJEDQMRGSBR-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574493476 950133143 /nfs/dbraw/zinc/13/31/43/950133143.db2.gz HFPKJEDQMRGSBR-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574493477 950131029 /nfs/dbraw/zinc/13/10/29/950131029.db2.gz HFPKJEDQMRGSBR-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574493477 950131010 /nfs/dbraw/zinc/13/10/10/950131010.db2.gz HFPKJEDQMRGSBR-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574493478 950131773 /nfs/dbraw/zinc/13/17/73/950131773.db2.gz HFPKJEDQMRGSBR-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574493478 950131762 /nfs/dbraw/zinc/13/17/62/950131762.db2.gz HFPKJEDQMRGSBR-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574493480 950131638 /nfs/dbraw/zinc/13/16/38/950131638.db2.gz HFPKJEDQMRGSBR-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574493480 950131629 /nfs/dbraw/zinc/13/16/29/950131629.db2.gz HFPKJEDQMRGSBR-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574493481 950132883 /nfs/dbraw/zinc/13/28/83/950132883.db2.gz HGLCFFMJLIERKD-AAEUAGOBSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574493481 950132870 /nfs/dbraw/zinc/13/28/70/950132870.db2.gz HGLCFFMJLIERKD-AAEUAGOBSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574493482 950132965 /nfs/dbraw/zinc/13/29/65/950132965.db2.gz HGLCFFMJLIERKD-DGCLKSJQSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574493482 950132952 /nfs/dbraw/zinc/13/29/52/950132952.db2.gz HGLCFFMJLIERKD-DGCLKSJQSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574493484 950133452 /nfs/dbraw/zinc/13/34/52/950133452.db2.gz HGLCFFMJLIERKD-WCQYABFASA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574493484 950133435 /nfs/dbraw/zinc/13/34/35/950133435.db2.gz HGLCFFMJLIERKD-WCQYABFASA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccc1 ZINC001574493485 950132229 /nfs/dbraw/zinc/13/22/29/950132229.db2.gz HGLCFFMJLIERKD-YPMHNXCESA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccc1 ZINC001574493485 950132223 /nfs/dbraw/zinc/13/22/23/950132223.db2.gz HGLCFFMJLIERKD-YPMHNXCESA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001574493826 950142741 /nfs/dbraw/zinc/14/27/41/950142741.db2.gz HYKQIVPCASBNHW-APPZFPTMSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001574493826 950142736 /nfs/dbraw/zinc/14/27/36/950142736.db2.gz HYKQIVPCASBNHW-APPZFPTMSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001574493829 950142771 /nfs/dbraw/zinc/14/27/71/950142771.db2.gz HYKQIVPCASBNHW-CBAPKCEASA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001574493829 950142764 /nfs/dbraw/zinc/14/27/64/950142764.db2.gz HYKQIVPCASBNHW-CBAPKCEASA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001574493830 950140308 /nfs/dbraw/zinc/14/03/08/950140308.db2.gz HYKQIVPCASBNHW-IONNQARKSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001574493830 950140298 /nfs/dbraw/zinc/14/02/98/950140298.db2.gz HYKQIVPCASBNHW-IONNQARKSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001574493831 950140687 /nfs/dbraw/zinc/14/06/87/950140687.db2.gz HYKQIVPCASBNHW-VXNVDRBHSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001574493831 950140680 /nfs/dbraw/zinc/14/06/80/950140680.db2.gz HYKQIVPCASBNHW-VXNVDRBHSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001574493885 950142568 /nfs/dbraw/zinc/14/25/68/950142568.db2.gz IREPTNBABHTVQL-APPZFPTMSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001574493885 950142557 /nfs/dbraw/zinc/14/25/57/950142557.db2.gz IREPTNBABHTVQL-APPZFPTMSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001574493886 950141674 /nfs/dbraw/zinc/14/16/74/950141674.db2.gz IREPTNBABHTVQL-CBAPKCEASA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001574493886 950141658 /nfs/dbraw/zinc/14/16/58/950141658.db2.gz IREPTNBABHTVQL-CBAPKCEASA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001574493887 950141541 /nfs/dbraw/zinc/14/15/41/950141541.db2.gz IREPTNBABHTVQL-IONNQARKSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001574493887 950141513 /nfs/dbraw/zinc/14/15/13/950141513.db2.gz IREPTNBABHTVQL-IONNQARKSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(F)(F)F ZINC001574493889 950140844 /nfs/dbraw/zinc/14/08/44/950140844.db2.gz IREPTNBABHTVQL-VXNVDRBHSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(F)(F)F ZINC001574493889 950140833 /nfs/dbraw/zinc/14/08/33/950140833.db2.gz IREPTNBABHTVQL-VXNVDRBHSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574493984 950146005 /nfs/dbraw/zinc/14/60/05/950146005.db2.gz JBDXQTOEPUCBTL-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574493984 950145989 /nfs/dbraw/zinc/14/59/89/950145989.db2.gz JBDXQTOEPUCBTL-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574493988 950147343 /nfs/dbraw/zinc/14/73/43/950147343.db2.gz JBDXQTOEPUCBTL-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574493988 950147331 /nfs/dbraw/zinc/14/73/31/950147331.db2.gz JBDXQTOEPUCBTL-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574493991 950144654 /nfs/dbraw/zinc/14/46/54/950144654.db2.gz JBDXQTOEPUCBTL-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574493991 950144644 /nfs/dbraw/zinc/14/46/44/950144644.db2.gz JBDXQTOEPUCBTL-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574493994 950147014 /nfs/dbraw/zinc/14/70/14/950147014.db2.gz JBDXQTOEPUCBTL-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574493994 950147003 /nfs/dbraw/zinc/14/70/03/950147003.db2.gz JBDXQTOEPUCBTL-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574494142 950152085 /nfs/dbraw/zinc/15/20/85/950152085.db2.gz XEFQJVCXCMIDTP-ABKXIKBNSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574494142 950152070 /nfs/dbraw/zinc/15/20/70/950152070.db2.gz XEFQJVCXCMIDTP-ABKXIKBNSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574494143 950151892 /nfs/dbraw/zinc/15/18/92/950151892.db2.gz XEFQJVCXCMIDTP-FVMDXXJSSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574494143 950151875 /nfs/dbraw/zinc/15/18/75/950151875.db2.gz XEFQJVCXCMIDTP-FVMDXXJSSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574494144 950150887 /nfs/dbraw/zinc/15/08/87/950150887.db2.gz XEFQJVCXCMIDTP-JDNHERCYSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574494144 950150875 /nfs/dbraw/zinc/15/08/75/950150875.db2.gz XEFQJVCXCMIDTP-JDNHERCYSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574494145 950152333 /nfs/dbraw/zinc/15/23/33/950152333.db2.gz XEFQJVCXCMIDTP-XXFAHNHDSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)N[C@]1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574494145 950152319 /nfs/dbraw/zinc/15/23/19/950152319.db2.gz XEFQJVCXCMIDTP-XXFAHNHDSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574494218 950156063 /nfs/dbraw/zinc/15/60/63/950156063.db2.gz JJLADCMNEGBLIY-PSASIEDQSA-N -1 3 377.384 -0.457 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574494218 950156050 /nfs/dbraw/zinc/15/60/50/950156050.db2.gz JJLADCMNEGBLIY-PSASIEDQSA-N -1 3 377.384 -0.457 20 0 GBADHM C[C@H](CC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574494220 950155803 /nfs/dbraw/zinc/15/58/03/950155803.db2.gz JJLADCMNEGBLIY-SCZZXKLOSA-N -1 3 377.384 -0.457 20 0 GBADHM C[C@H](CC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574494220 950155784 /nfs/dbraw/zinc/15/57/84/950155784.db2.gz JJLADCMNEGBLIY-SCZZXKLOSA-N -1 3 377.384 -0.457 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574494222 950154772 /nfs/dbraw/zinc/15/47/72/950154772.db2.gz JJLADCMNEGBLIY-WCBMZHEXSA-N -1 3 377.384 -0.457 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574494222 950154759 /nfs/dbraw/zinc/15/47/59/950154759.db2.gz JJLADCMNEGBLIY-WCBMZHEXSA-N -1 3 377.384 -0.457 20 0 GBADHM C[C@@H](CC(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574494224 950157581 /nfs/dbraw/zinc/15/75/81/950157581.db2.gz JJLADCMNEGBLIY-WPRPVWTQSA-N -1 3 377.384 -0.457 20 0 GBADHM C[C@@H](CC(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574494224 950157565 /nfs/dbraw/zinc/15/75/65/950157565.db2.gz JJLADCMNEGBLIY-WPRPVWTQSA-N -1 3 377.384 -0.457 20 0 GBADHM C[C@H](CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574494230 950156108 /nfs/dbraw/zinc/15/61/08/950156108.db2.gz JKDFJUJZKBDYGK-SECBINFHSA-N -1 3 376.396 -0.247 20 0 GBADHM C[C@H](CC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574494230 950156093 /nfs/dbraw/zinc/15/60/93/950156093.db2.gz JKDFJUJZKBDYGK-SECBINFHSA-N -1 3 376.396 -0.247 20 0 GBADHM C[C@@H](CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2F)C1)NC(N)=O ZINC001574494243 950156512 /nfs/dbraw/zinc/15/65/12/950156512.db2.gz JKDFJUJZKBDYGK-VIFPVBQESA-N -1 3 376.396 -0.247 20 0 GBADHM C[C@@H](CC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2F)C1)NC(N)=O ZINC001574494243 950156497 /nfs/dbraw/zinc/15/64/97/950156497.db2.gz JKDFJUJZKBDYGK-VIFPVBQESA-N -1 3 376.396 -0.247 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574494535 950168975 /nfs/dbraw/zinc/16/89/75/950168975.db2.gz KYWVSGHCNRDBEJ-GHMZBOCLSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574494535 950168960 /nfs/dbraw/zinc/16/89/60/950168960.db2.gz KYWVSGHCNRDBEJ-GHMZBOCLSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574494536 950169494 /nfs/dbraw/zinc/16/94/94/950169494.db2.gz KYWVSGHCNRDBEJ-MNOVXSKESA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574494536 950169481 /nfs/dbraw/zinc/16/94/81/950169481.db2.gz KYWVSGHCNRDBEJ-MNOVXSKESA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574494537 950169624 /nfs/dbraw/zinc/16/96/24/950169624.db2.gz KYWVSGHCNRDBEJ-QWRGUYRKSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574494537 950169615 /nfs/dbraw/zinc/16/96/15/950169615.db2.gz KYWVSGHCNRDBEJ-QWRGUYRKSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574494538 950168667 /nfs/dbraw/zinc/16/86/67/950168667.db2.gz KYWVSGHCNRDBEJ-WDEREUQCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574494538 950168656 /nfs/dbraw/zinc/16/86/56/950168656.db2.gz KYWVSGHCNRDBEJ-WDEREUQCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001574494557 950169167 /nfs/dbraw/zinc/16/91/67/950169167.db2.gz LCCXMPYUYIIYOQ-HTQZYQBOSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001574494557 950169157 /nfs/dbraw/zinc/16/91/57/950169157.db2.gz LCCXMPYUYIIYOQ-HTQZYQBOSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001574494558 950169591 /nfs/dbraw/zinc/16/95/91/950169591.db2.gz LCCXMPYUYIIYOQ-JGVFFNPUSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001574494558 950169579 /nfs/dbraw/zinc/16/95/79/950169579.db2.gz LCCXMPYUYIIYOQ-JGVFFNPUSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001574494559 950170412 /nfs/dbraw/zinc/17/04/12/950170412.db2.gz LCCXMPYUYIIYOQ-SFYZADRCSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001574494559 950170392 /nfs/dbraw/zinc/17/03/92/950170392.db2.gz LCCXMPYUYIIYOQ-SFYZADRCSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(F)(F)F ZINC001574494560 950171272 /nfs/dbraw/zinc/17/12/72/950171272.db2.gz LCCXMPYUYIIYOQ-YUMQZZPRSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(F)(F)F ZINC001574494560 950171259 /nfs/dbraw/zinc/17/12/59/950171259.db2.gz LCCXMPYUYIIYOQ-YUMQZZPRSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574494895 950189541 /nfs/dbraw/zinc/18/95/41/950189541.db2.gz PVKWSVLYKWXCTI-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574494895 950189530 /nfs/dbraw/zinc/18/95/30/950189530.db2.gz PVKWSVLYKWXCTI-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574494896 950189778 /nfs/dbraw/zinc/18/97/78/950189778.db2.gz PVKWSVLYKWXCTI-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574494896 950189767 /nfs/dbraw/zinc/18/97/67/950189767.db2.gz PVKWSVLYKWXCTI-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574494897 950187409 /nfs/dbraw/zinc/18/74/09/950187409.db2.gz PVKWSVLYKWXCTI-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574494897 950187398 /nfs/dbraw/zinc/18/73/98/950187398.db2.gz PVKWSVLYKWXCTI-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1cccn1 ZINC001574494898 950188882 /nfs/dbraw/zinc/18/88/82/950188882.db2.gz PVKWSVLYKWXCTI-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)n1cccn1 ZINC001574494898 950188874 /nfs/dbraw/zinc/18/88/74/950188874.db2.gz PVKWSVLYKWXCTI-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001574494983 950193918 /nfs/dbraw/zinc/19/39/18/950193918.db2.gz QTOITYIJDAFPFS-APPZFPTMSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001574494983 950193905 /nfs/dbraw/zinc/19/39/05/950193905.db2.gz QTOITYIJDAFPFS-APPZFPTMSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001574494984 950192747 /nfs/dbraw/zinc/19/27/47/950192747.db2.gz QTOITYIJDAFPFS-CBAPKCEASA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001574494984 950192737 /nfs/dbraw/zinc/19/27/37/950192737.db2.gz QTOITYIJDAFPFS-CBAPKCEASA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001574494985 950192818 /nfs/dbraw/zinc/19/28/18/950192818.db2.gz QTOITYIJDAFPFS-IONNQARKSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001574494985 950192806 /nfs/dbraw/zinc/19/28/06/950192806.db2.gz QTOITYIJDAFPFS-IONNQARKSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(F)(F)F ZINC001574494986 950193752 /nfs/dbraw/zinc/19/37/52/950193752.db2.gz QTOITYIJDAFPFS-VXNVDRBHSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(F)(F)F ZINC001574494986 950193739 /nfs/dbraw/zinc/19/37/39/950193739.db2.gz QTOITYIJDAFPFS-VXNVDRBHSA-N -1 3 389.338 -0.010 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574495121 950195937 /nfs/dbraw/zinc/19/59/37/950195937.db2.gz REODRVZCPJJDFP-GHMZBOCLSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574495121 950195917 /nfs/dbraw/zinc/19/59/17/950195917.db2.gz REODRVZCPJJDFP-GHMZBOCLSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574495124 950198160 /nfs/dbraw/zinc/19/81/60/950198160.db2.gz REODRVZCPJJDFP-MNOVXSKESA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574495124 950198147 /nfs/dbraw/zinc/19/81/47/950198147.db2.gz REODRVZCPJJDFP-MNOVXSKESA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574495126 950198044 /nfs/dbraw/zinc/19/80/44/950198044.db2.gz REODRVZCPJJDFP-QWRGUYRKSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574495126 950198028 /nfs/dbraw/zinc/19/80/28/950198028.db2.gz REODRVZCPJJDFP-QWRGUYRKSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccn1 ZINC001574495128 950197402 /nfs/dbraw/zinc/19/74/02/950197402.db2.gz REODRVZCPJJDFP-WDEREUQCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccn1 ZINC001574495128 950197390 /nfs/dbraw/zinc/19/73/90/950197390.db2.gz REODRVZCPJJDFP-WDEREUQCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574495244 950196461 /nfs/dbraw/zinc/19/64/61/950196461.db2.gz RRRDUOVGTHWSRL-NEPJUHHUSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574495244 950196449 /nfs/dbraw/zinc/19/64/49/950196449.db2.gz RRRDUOVGTHWSRL-NEPJUHHUSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574495246 950196711 /nfs/dbraw/zinc/19/67/11/950196711.db2.gz RRRDUOVGTHWSRL-NWDGAFQWSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574495246 950196699 /nfs/dbraw/zinc/19/66/99/950196699.db2.gz RRRDUOVGTHWSRL-NWDGAFQWSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574495247 950197457 /nfs/dbraw/zinc/19/74/57/950197457.db2.gz RRRDUOVGTHWSRL-RYUDHWBXSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574495247 950197441 /nfs/dbraw/zinc/19/74/41/950197441.db2.gz RRRDUOVGTHWSRL-RYUDHWBXSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574495249 950197553 /nfs/dbraw/zinc/19/75/53/950197553.db2.gz RRRDUOVGTHWSRL-VXGBXAGGSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574495249 950197533 /nfs/dbraw/zinc/19/75/33/950197533.db2.gz RRRDUOVGTHWSRL-VXGBXAGGSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574495445 950200092 /nfs/dbraw/zinc/20/00/92/950200092.db2.gz SPAAMMYQBSJJNV-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574495445 950200083 /nfs/dbraw/zinc/20/00/83/950200083.db2.gz SPAAMMYQBSJJNV-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574495446 950202136 /nfs/dbraw/zinc/20/21/36/950202136.db2.gz SPAAMMYQBSJJNV-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574495446 950202114 /nfs/dbraw/zinc/20/21/14/950202114.db2.gz SPAAMMYQBSJJNV-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574495449 950203330 /nfs/dbraw/zinc/20/33/30/950203330.db2.gz SPAAMMYQBSJJNV-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574495449 950203314 /nfs/dbraw/zinc/20/33/14/950203314.db2.gz SPAAMMYQBSJJNV-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574495452 950203432 /nfs/dbraw/zinc/20/34/32/950203432.db2.gz SPAAMMYQBSJJNV-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574495452 950203414 /nfs/dbraw/zinc/20/34/14/950203414.db2.gz SPAAMMYQBSJJNV-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574495540 950203489 /nfs/dbraw/zinc/20/34/89/950203489.db2.gz TWRAHZNHSMGHTQ-BDAKNGLRSA-N -1 3 379.400 -0.211 20 0 GBADHM C[C@H](CC(=O)NC[C@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574495540 950203470 /nfs/dbraw/zinc/20/34/70/950203470.db2.gz TWRAHZNHSMGHTQ-BDAKNGLRSA-N -1 3 379.400 -0.211 20 0 GBADHM C[C@H](CNC(=O)C[C@H](C)NC(N)=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574495545 950200130 /nfs/dbraw/zinc/20/01/30/950200130.db2.gz TWRAHZNHSMGHTQ-DTWKUNHWSA-N -1 3 379.400 -0.211 20 0 GBADHM C[C@H](CNC(=O)C[C@H](C)NC(N)=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574495545 950200117 /nfs/dbraw/zinc/20/01/17/950200117.db2.gz TWRAHZNHSMGHTQ-DTWKUNHWSA-N -1 3 379.400 -0.211 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574495549 950204577 /nfs/dbraw/zinc/20/45/77/950204577.db2.gz TWRAHZNHSMGHTQ-IUCAKERBSA-N -1 3 379.400 -0.211 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574495549 950204551 /nfs/dbraw/zinc/20/45/51/950204551.db2.gz TWRAHZNHSMGHTQ-IUCAKERBSA-N -1 3 379.400 -0.211 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](C)N(C)c1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574495553 950202303 /nfs/dbraw/zinc/20/23/03/950202303.db2.gz TWRAHZNHSMGHTQ-RKDXNWHRSA-N -1 3 379.400 -0.211 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](C)N(C)c1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574495553 950202269 /nfs/dbraw/zinc/20/22/69/950202269.db2.gz TWRAHZNHSMGHTQ-RKDXNWHRSA-N -1 3 379.400 -0.211 20 0 GBADHM C[C@H](CC(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574495631 950207142 /nfs/dbraw/zinc/20/71/42/950207142.db2.gz UIKKYBWWEQPCOC-SECBINFHSA-N -1 3 376.396 -0.247 20 0 GBADHM C[C@H](CC(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574495631 950207126 /nfs/dbraw/zinc/20/71/26/950207126.db2.gz UIKKYBWWEQPCOC-SECBINFHSA-N -1 3 376.396 -0.247 20 0 GBADHM C[C@@H](CC(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1)NC(N)=O ZINC001574495635 950206422 /nfs/dbraw/zinc/20/64/22/950206422.db2.gz UIKKYBWWEQPCOC-VIFPVBQESA-N -1 3 376.396 -0.247 20 0 GBADHM C[C@@H](CC(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1)NC(N)=O ZINC001574495635 950206399 /nfs/dbraw/zinc/20/63/99/950206399.db2.gz UIKKYBWWEQPCOC-VIFPVBQESA-N -1 3 376.396 -0.247 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574496066 950208963 /nfs/dbraw/zinc/20/89/63/950208963.db2.gz VAJJOQZCSRTIGM-NEPJUHHUSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574496066 950208945 /nfs/dbraw/zinc/20/89/45/950208945.db2.gz VAJJOQZCSRTIGM-NEPJUHHUSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574496067 950210704 /nfs/dbraw/zinc/21/07/04/950210704.db2.gz VAJJOQZCSRTIGM-NWDGAFQWSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574496067 950210691 /nfs/dbraw/zinc/21/06/91/950210691.db2.gz VAJJOQZCSRTIGM-NWDGAFQWSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574496068 950209729 /nfs/dbraw/zinc/20/97/29/950209729.db2.gz VAJJOQZCSRTIGM-RYUDHWBXSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574496068 950209710 /nfs/dbraw/zinc/20/97/10/950209710.db2.gz VAJJOQZCSRTIGM-RYUDHWBXSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1cccc1 ZINC001574496069 950211339 /nfs/dbraw/zinc/21/13/39/950211339.db2.gz VAJJOQZCSRTIGM-VXGBXAGGSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1cccc1 ZINC001574496069 950211320 /nfs/dbraw/zinc/21/13/20/950211320.db2.gz VAJJOQZCSRTIGM-VXGBXAGGSA-N -1 3 386.416 -0.146 20 0 GBADHM C[C@H](CC(=O)NC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)NC(N)=O ZINC001574496070 950214059 /nfs/dbraw/zinc/21/40/59/950214059.db2.gz VBTHVWJTBWBBOR-SECBINFHSA-N -1 3 376.396 -0.247 20 0 GBADHM C[C@H](CC(=O)NC1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1)NC(N)=O ZINC001574496070 950214033 /nfs/dbraw/zinc/21/40/33/950214033.db2.gz VBTHVWJTBWBBOR-SECBINFHSA-N -1 3 376.396 -0.247 20 0 GBADHM C[C@@H](CC(=O)NC1CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1)NC(N)=O ZINC001574496071 950211644 /nfs/dbraw/zinc/21/16/44/950211644.db2.gz VBTHVWJTBWBBOR-VIFPVBQESA-N -1 3 376.396 -0.247 20 0 GBADHM C[C@@H](CC(=O)NC1CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1)NC(N)=O ZINC001574496071 950211635 /nfs/dbraw/zinc/21/16/35/950211635.db2.gz VBTHVWJTBWBBOR-VIFPVBQESA-N -1 3 376.396 -0.247 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574496531 950218308 /nfs/dbraw/zinc/21/83/08/950218308.db2.gz XFHOGICUZSXABY-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574496531 950218287 /nfs/dbraw/zinc/21/82/87/950218287.db2.gz XFHOGICUZSXABY-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574496533 950215988 /nfs/dbraw/zinc/21/59/88/950215988.db2.gz XFHOGICUZSXABY-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574496533 950215971 /nfs/dbraw/zinc/21/59/71/950215971.db2.gz XFHOGICUZSXABY-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574496535 950216892 /nfs/dbraw/zinc/21/68/92/950216892.db2.gz XFHOGICUZSXABY-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574496535 950216869 /nfs/dbraw/zinc/21/68/69/950216869.db2.gz XFHOGICUZSXABY-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1cccn1 ZINC001574496537 950217507 /nfs/dbraw/zinc/21/75/07/950217507.db2.gz XFHOGICUZSXABY-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1cccn1 ZINC001574496537 950217487 /nfs/dbraw/zinc/21/74/87/950217487.db2.gz XFHOGICUZSXABY-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574497300 950226189 /nfs/dbraw/zinc/22/61/89/950226189.db2.gz ZCXFBSQAAOTOJI-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574497300 950226175 /nfs/dbraw/zinc/22/61/75/950226175.db2.gz ZCXFBSQAAOTOJI-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574497301 950229313 /nfs/dbraw/zinc/22/93/13/950229313.db2.gz ZCXFBSQAAOTOJI-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574497301 950229296 /nfs/dbraw/zinc/22/92/96/950229296.db2.gz ZCXFBSQAAOTOJI-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574497302 950228300 /nfs/dbraw/zinc/22/83/00/950228300.db2.gz ZCXFBSQAAOTOJI-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574497302 950228282 /nfs/dbraw/zinc/22/82/82/950228282.db2.gz ZCXFBSQAAOTOJI-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)n1ccnc1 ZINC001574497303 950225428 /nfs/dbraw/zinc/22/54/28/950225428.db2.gz ZCXFBSQAAOTOJI-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)n1ccnc1 ZINC001574497303 950225412 /nfs/dbraw/zinc/22/54/12/950225412.db2.gz ZCXFBSQAAOTOJI-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574497385 950232522 /nfs/dbraw/zinc/23/25/22/950232522.db2.gz ZWRGXNXWBCIVCI-CMPLNLGQSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574497386 950233949 /nfs/dbraw/zinc/23/39/49/950233949.db2.gz ZWRGXNXWBCIVCI-JQWIXIFHSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574497388 950233206 /nfs/dbraw/zinc/23/32/06/950233206.db2.gz ZWRGXNXWBCIVCI-PWSUYJOCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)n1ccnc1 ZINC001574497389 950231454 /nfs/dbraw/zinc/23/14/54/950231454.db2.gz ZWRGXNXWBCIVCI-ZYHUDNBSSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)NC(N)=O ZINC001574497824 950246565 /nfs/dbraw/zinc/24/65/65/950246565.db2.gz DOXCNGATOJYVPE-JHEVNIALSA-N -1 3 385.432 -0.493 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)NC(N)=O ZINC001574497824 950246545 /nfs/dbraw/zinc/24/65/45/950246545.db2.gz DOXCNGATOJYVPE-JHEVNIALSA-N -1 3 385.432 -0.493 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)NC(N)=O ZINC001574497826 950246789 /nfs/dbraw/zinc/24/67/89/950246789.db2.gz DOXCNGATOJYVPE-XYJRDEOASA-N -1 3 385.432 -0.493 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)NC(N)=O ZINC001574497826 950246767 /nfs/dbraw/zinc/24/67/67/950246767.db2.gz DOXCNGATOJYVPE-XYJRDEOASA-N -1 3 385.432 -0.493 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)NC(N)=O ZINC001574498684 950284483 /nfs/dbraw/zinc/28/44/83/950284483.db2.gz POVCZRILLWOXFD-JHEVNIALSA-N -1 3 385.432 -0.493 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)NC(N)=O ZINC001574498684 950284470 /nfs/dbraw/zinc/28/44/70/950284470.db2.gz POVCZRILLWOXFD-JHEVNIALSA-N -1 3 385.432 -0.493 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)NC(N)=O ZINC001574498686 950283059 /nfs/dbraw/zinc/28/30/59/950283059.db2.gz POVCZRILLWOXFD-XYJRDEOASA-N -1 3 385.432 -0.493 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)C[C@H]21)NC(N)=O ZINC001574498686 950283039 /nfs/dbraw/zinc/28/30/39/950283039.db2.gz POVCZRILLWOXFD-XYJRDEOASA-N -1 3 385.432 -0.493 20 0 GBADHM C[C@H](CC(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1)NC(N)=O ZINC001574499390 950298778 /nfs/dbraw/zinc/29/87/78/950298778.db2.gz UOFFACVRIHDNRE-MRVPVSSYSA-N -1 3 377.384 -0.092 20 0 GBADHM C[C@H](CC(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1)NC(N)=O ZINC001574499390 950298755 /nfs/dbraw/zinc/29/87/55/950298755.db2.gz UOFFACVRIHDNRE-MRVPVSSYSA-N -1 3 377.384 -0.092 20 0 GBADHM C[C@@H](CC(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2F)CC1)NC(N)=O ZINC001574499391 950298914 /nfs/dbraw/zinc/29/89/14/950298914.db2.gz UOFFACVRIHDNRE-QMMMGPOBSA-N -1 3 377.384 -0.092 20 0 GBADHM C[C@@H](CC(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2F)CC1)NC(N)=O ZINC001574499391 950298901 /nfs/dbraw/zinc/29/89/01/950298901.db2.gz UOFFACVRIHDNRE-QMMMGPOBSA-N -1 3 377.384 -0.092 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574500325 950315688 /nfs/dbraw/zinc/31/56/88/950315688.db2.gz ZQXKGKUUAJCJGC-GHMZBOCLSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574500325 950315669 /nfs/dbraw/zinc/31/56/69/950315669.db2.gz ZQXKGKUUAJCJGC-GHMZBOCLSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574500326 950314074 /nfs/dbraw/zinc/31/40/74/950314074.db2.gz ZQXKGKUUAJCJGC-MNOVXSKESA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574500326 950314051 /nfs/dbraw/zinc/31/40/51/950314051.db2.gz ZQXKGKUUAJCJGC-MNOVXSKESA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574500329 950316224 /nfs/dbraw/zinc/31/62/24/950316224.db2.gz ZQXKGKUUAJCJGC-QWRGUYRKSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574500329 950316202 /nfs/dbraw/zinc/31/62/02/950316202.db2.gz ZQXKGKUUAJCJGC-QWRGUYRKSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)n1ccnc1 ZINC001574500331 950312421 /nfs/dbraw/zinc/31/24/21/950312421.db2.gz ZQXKGKUUAJCJGC-WDEREUQCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)n1ccnc1 ZINC001574500331 950312407 /nfs/dbraw/zinc/31/24/07/950312407.db2.gz ZQXKGKUUAJCJGC-WDEREUQCSA-N -1 3 387.404 -0.751 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574502357 950375323 /nfs/dbraw/zinc/37/53/23/950375323.db2.gz MICQMXHKVIPTLO-CMPLNLGQSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574502357 950375297 /nfs/dbraw/zinc/37/52/97/950375297.db2.gz MICQMXHKVIPTLO-CMPLNLGQSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574502358 950376041 /nfs/dbraw/zinc/37/60/41/950376041.db2.gz MICQMXHKVIPTLO-JQWIXIFHSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574502358 950376016 /nfs/dbraw/zinc/37/60/16/950376016.db2.gz MICQMXHKVIPTLO-JQWIXIFHSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574502359 950372664 /nfs/dbraw/zinc/37/26/64/950372664.db2.gz MICQMXHKVIPTLO-PWSUYJOCSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574502359 950372645 /nfs/dbraw/zinc/37/26/45/950372645.db2.gz MICQMXHKVIPTLO-PWSUYJOCSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)cn1)NC(N)=O ZINC001574502360 950375031 /nfs/dbraw/zinc/37/50/31/950375031.db2.gz MICQMXHKVIPTLO-ZYHUDNBSSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)cn1)NC(N)=O ZINC001574502360 950375009 /nfs/dbraw/zinc/37/50/09/950375009.db2.gz MICQMXHKVIPTLO-ZYHUDNBSSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)NC(N)=O ZINC001574502401 950377160 /nfs/dbraw/zinc/37/71/60/950377160.db2.gz MVGYACUBBMDZBN-CMPLNLGQSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)NC(N)=O ZINC001574502401 950377136 /nfs/dbraw/zinc/37/71/36/950377136.db2.gz MVGYACUBBMDZBN-CMPLNLGQSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)NC(N)=O ZINC001574502402 950374292 /nfs/dbraw/zinc/37/42/92/950374292.db2.gz MVGYACUBBMDZBN-JQWIXIFHSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)NC(N)=O ZINC001574502402 950374272 /nfs/dbraw/zinc/37/42/72/950374272.db2.gz MVGYACUBBMDZBN-JQWIXIFHSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)NC(N)=O ZINC001574502403 950372900 /nfs/dbraw/zinc/37/29/00/950372900.db2.gz MVGYACUBBMDZBN-PWSUYJOCSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)NC(N)=O ZINC001574502403 950372879 /nfs/dbraw/zinc/37/28/79/950372879.db2.gz MVGYACUBBMDZBN-PWSUYJOCSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)CCO1)NC(N)=O ZINC001574502404 950381117 /nfs/dbraw/zinc/38/11/17/950381117.db2.gz MVGYACUBBMDZBN-ZYHUDNBSSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)CCO1)NC(N)=O ZINC001574502404 950381097 /nfs/dbraw/zinc/38/10/97/950381097.db2.gz MVGYACUBBMDZBN-ZYHUDNBSSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)NC(N)=O ZINC001574502707 950392340 /nfs/dbraw/zinc/39/23/40/950392340.db2.gz QOCMUDCESAHSBR-GHMZBOCLSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)NC(N)=O ZINC001574502707 950392320 /nfs/dbraw/zinc/39/23/20/950392320.db2.gz QOCMUDCESAHSBR-GHMZBOCLSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)NC(N)=O ZINC001574502708 950390235 /nfs/dbraw/zinc/39/02/35/950390235.db2.gz QOCMUDCESAHSBR-MNOVXSKESA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)NC(N)=O ZINC001574502708 950390213 /nfs/dbraw/zinc/39/02/13/950390213.db2.gz QOCMUDCESAHSBR-MNOVXSKESA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)NC(N)=O ZINC001574502709 950392466 /nfs/dbraw/zinc/39/24/66/950392466.db2.gz QOCMUDCESAHSBR-QWRGUYRKSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)NC(N)=O ZINC001574502709 950392446 /nfs/dbraw/zinc/39/24/46/950392446.db2.gz QOCMUDCESAHSBR-QWRGUYRKSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)CCO1)NC(N)=O ZINC001574502710 950390427 /nfs/dbraw/zinc/39/04/27/950390427.db2.gz QOCMUDCESAHSBR-WDEREUQCSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)CCO1)NC(N)=O ZINC001574502710 950390404 /nfs/dbraw/zinc/39/04/04/950390404.db2.gz QOCMUDCESAHSBR-WDEREUQCSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)NC(N)=O ZINC001574502877 950393853 /nfs/dbraw/zinc/39/38/53/950393853.db2.gz RNIRSIWFPPZADT-CMPLNLGQSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)NC(N)=O ZINC001574502877 950393834 /nfs/dbraw/zinc/39/38/34/950393834.db2.gz RNIRSIWFPPZADT-CMPLNLGQSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)NC(N)=O ZINC001574502878 950393356 /nfs/dbraw/zinc/39/33/56/950393356.db2.gz RNIRSIWFPPZADT-JQWIXIFHSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)NC(N)=O ZINC001574502878 950393336 /nfs/dbraw/zinc/39/33/36/950393336.db2.gz RNIRSIWFPPZADT-JQWIXIFHSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)NC(N)=O ZINC001574502879 950398022 /nfs/dbraw/zinc/39/80/22/950398022.db2.gz RNIRSIWFPPZADT-PWSUYJOCSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)NC(N)=O ZINC001574502879 950397999 /nfs/dbraw/zinc/39/79/99/950397999.db2.gz RNIRSIWFPPZADT-PWSUYJOCSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)CCO1)NC(N)=O ZINC001574502880 950396181 /nfs/dbraw/zinc/39/61/81/950396181.db2.gz RNIRSIWFPPZADT-ZYHUDNBSSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)CCO1)NC(N)=O ZINC001574502880 950396158 /nfs/dbraw/zinc/39/61/58/950396158.db2.gz RNIRSIWFPPZADT-ZYHUDNBSSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574503649 950418642 /nfs/dbraw/zinc/41/86/42/950418642.db2.gz YLVXQVVZYQTBOW-GXSJLCMTSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)NC[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574503649 950418631 /nfs/dbraw/zinc/41/86/31/950418631.db2.gz YLVXQVVZYQTBOW-GXSJLCMTSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574503650 950416764 /nfs/dbraw/zinc/41/67/64/950416764.db2.gz YLVXQVVZYQTBOW-KOLCDFICSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574503650 950416752 /nfs/dbraw/zinc/41/67/52/950416752.db2.gz YLVXQVVZYQTBOW-KOLCDFICSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)NC[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574503651 950419960 /nfs/dbraw/zinc/41/99/60/950419960.db2.gz YLVXQVVZYQTBOW-MWLCHTKSSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H](CC(=O)NC[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574503651 950419944 /nfs/dbraw/zinc/41/99/44/950419944.db2.gz YLVXQVVZYQTBOW-MWLCHTKSSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1F)NC(N)=O ZINC001574503652 950419874 /nfs/dbraw/zinc/41/98/74/950419874.db2.gz YLVXQVVZYQTBOW-ONGXEEELSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1F)NC(N)=O ZINC001574503652 950419869 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ZBRVAJPQFATBCF-PWSUYJOCSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574503987 950422316 /nfs/dbraw/zinc/42/23/16/950422316.db2.gz ZBRVAJPQFATBCF-PWSUYJOCSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574503989 950422474 /nfs/dbraw/zinc/42/24/74/950422474.db2.gz ZBRVAJPQFATBCF-ZYHUDNBSSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@H](CC(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574503989 950422459 /nfs/dbraw/zinc/42/24/59/950422459.db2.gz ZBRVAJPQFATBCF-ZYHUDNBSSA-N -1 3 389.420 -0.970 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C)NC(N)=O ZINC001574506032 950421840 /nfs/dbraw/zinc/42/18/40/950421840.db2.gz AFWRLXMLNHHCLJ-GRYCIOLGSA-N -1 3 387.448 -0.103 20 0 GBADHM C[C@@H](CC(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C)NC(N)=O ZINC001574506032 950421830 /nfs/dbraw/zinc/42/18/30/950421830.db2.gz AFWRLXMLNHHCLJ-GRYCIOLGSA-N -1 3 387.448 -0.103 20 0 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C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1O)n1ccnc1 ZINC001574511074 950549813 /nfs/dbraw/zinc/54/98/13/950549813.db2.gz FRUQVOFDKHCBOV-UHTWSYAYSA-N -1 3 384.404 -0.830 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)n1cccn1 ZINC001574511139 950550531 /nfs/dbraw/zinc/55/05/31/950550531.db2.gz GMUMJXIBYYJQLX-DFBGVHRSSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)n1cccn1 ZINC001574511139 950550520 /nfs/dbraw/zinc/55/05/20/950550520.db2.gz GMUMJXIBYYJQLX-DFBGVHRSSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@@H]1O)n1cccn1 ZINC001574511141 950549744 /nfs/dbraw/zinc/54/97/44/950549744.db2.gz GMUMJXIBYYJQLX-GLQYFDAESA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@@H]1O)n1cccn1 ZINC001574511141 950549727 /nfs/dbraw/zinc/54/97/27/950549727.db2.gz GMUMJXIBYYJQLX-GLQYFDAESA-N -1 3 383.416 -0.225 20 0 GBADHM 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C[C@H](CC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)NC(N)=O ZINC001574511345 950553870 /nfs/dbraw/zinc/55/38/70/950553870.db2.gz IMMDQVYUZHRTES-UISBYWKRSA-N -1 3 392.395 -0.882 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)C[C@@H]1O)NC(N)=O ZINC001574511346 950557575 /nfs/dbraw/zinc/55/75/75/950557575.db2.gz IMMDQVYUZHRTES-XRNSZHNASA-N -1 3 392.395 -0.882 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)C[C@@H]1O)NC(N)=O ZINC001574511346 950557556 /nfs/dbraw/zinc/55/75/56/950557556.db2.gz IMMDQVYUZHRTES-XRNSZHNASA-N -1 3 392.395 -0.882 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)n1ccnc1 ZINC001574511397 950558808 /nfs/dbraw/zinc/55/88/08/950558808.db2.gz JYVSMQWEAGSGNZ-IACUBPJLSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)n1ccnc1 ZINC001574511397 950558786 /nfs/dbraw/zinc/55/87/86/950558786.db2.gz JYVSMQWEAGSGNZ-IACUBPJLSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)n1ccnc1 ZINC001574511398 950561917 /nfs/dbraw/zinc/56/19/17/950561917.db2.gz JYVSMQWEAGSGNZ-MRVWCRGKSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)n1ccnc1 ZINC001574511398 950561899 /nfs/dbraw/zinc/56/18/99/950561899.db2.gz JYVSMQWEAGSGNZ-MRVWCRGKSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574511433 950561756 /nfs/dbraw/zinc/56/17/56/950561756.db2.gz LLOOASIYBGPUTC-MHWZDGSBSA-N -1 3 385.432 -0.066 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574511433 950561745 /nfs/dbraw/zinc/56/17/45/950561745.db2.gz LLOOASIYBGPUTC-MHWZDGSBSA-N -1 3 385.432 -0.066 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[n-]n2)nc1)NC(N)=O ZINC001574511434 950561445 /nfs/dbraw/zinc/56/14/45/950561445.db2.gz LLOOASIYBGPUTC-PJQZNRQZSA-N -1 3 385.432 -0.066 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nnn[n-]2)nc1)NC(N)=O ZINC001574511434 950561428 /nfs/dbraw/zinc/56/14/28/950561428.db2.gz LLOOASIYBGPUTC-PJQZNRQZSA-N -1 3 385.432 -0.066 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)n1ccnc1 ZINC001574511601 950565270 /nfs/dbraw/zinc/56/52/70/950565270.db2.gz NVTWBLKRSFBHSP-BNOWGMLFSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)n1ccnc1 ZINC001574511601 950565253 /nfs/dbraw/zinc/56/52/53/950565253.db2.gz NVTWBLKRSFBHSP-BNOWGMLFSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)n1ccnc1 ZINC001574511602 950565372 /nfs/dbraw/zinc/56/53/72/950565372.db2.gz NVTWBLKRSFBHSP-IACUBPJLSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)n1ccnc1 ZINC001574511602 950565357 /nfs/dbraw/zinc/56/53/57/950565357.db2.gz NVTWBLKRSFBHSP-IACUBPJLSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)n1ccnc1 ZINC001574511603 950565784 /nfs/dbraw/zinc/56/57/84/950565784.db2.gz NVTWBLKRSFBHSP-MRVWCRGKSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)n1ccnc1 ZINC001574511603 950565770 /nfs/dbraw/zinc/56/57/70/950565770.db2.gz NVTWBLKRSFBHSP-MRVWCRGKSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)n1ccnc1 ZINC001574511604 950567668 /nfs/dbraw/zinc/56/76/68/950567668.db2.gz NVTWBLKRSFBHSP-YUTCNCBUSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)n1ccnc1 ZINC001574511604 950567654 /nfs/dbraw/zinc/56/76/54/950567654.db2.gz NVTWBLKRSFBHSP-YUTCNCBUSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574511627 950566816 /nfs/dbraw/zinc/56/68/16/950566816.db2.gz OYSJYQSBBVLJSA-WFFHOREQSA-N -1 3 385.432 -0.066 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574511627 950566797 /nfs/dbraw/zinc/56/67/97/950566797.db2.gz OYSJYQSBBVLJSA-WFFHOREQSA-N -1 3 385.432 -0.066 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)NC(N)=O ZINC001574511628 950564621 /nfs/dbraw/zinc/56/46/21/950564621.db2.gz OYSJYQSBBVLJSA-YGNMPJRFSA-N -1 3 385.432 -0.066 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)NC(N)=O ZINC001574511628 950564604 /nfs/dbraw/zinc/56/46/04/950564604.db2.gz OYSJYQSBBVLJSA-YGNMPJRFSA-N -1 3 385.432 -0.066 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)n1cccc1 ZINC001574511706 950571334 /nfs/dbraw/zinc/57/13/34/950571334.db2.gz QUZWFRTZXAWOGW-KCPJHIHWSA-N -1 3 398.427 -0.051 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)n1cccc1 ZINC001574511706 950571314 /nfs/dbraw/zinc/57/13/14/950571314.db2.gz QUZWFRTZXAWOGW-KCPJHIHWSA-N -1 3 398.427 -0.051 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O)n1cccc1 ZINC001574511707 950571535 /nfs/dbraw/zinc/57/15/35/950571535.db2.gz QUZWFRTZXAWOGW-NILFDRSVSA-N -1 3 398.427 -0.051 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O)n1cccc1 ZINC001574511707 950571521 /nfs/dbraw/zinc/57/15/21/950571521.db2.gz QUZWFRTZXAWOGW-NILFDRSVSA-N -1 3 398.427 -0.051 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)n1cccn1 ZINC001574511756 950572872 /nfs/dbraw/zinc/57/28/72/950572872.db2.gz TTYIAKFJYCUHBA-BNOWGMLFSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)n1cccn1 ZINC001574511756 950572858 /nfs/dbraw/zinc/57/28/58/950572858.db2.gz TTYIAKFJYCUHBA-BNOWGMLFSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)n1cccn1 ZINC001574511758 950576411 /nfs/dbraw/zinc/57/64/11/950576411.db2.gz TTYIAKFJYCUHBA-IACUBPJLSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)n1cccn1 ZINC001574511758 950576379 /nfs/dbraw/zinc/57/63/79/950576379.db2.gz TTYIAKFJYCUHBA-IACUBPJLSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O)n1cccn1 ZINC001574511760 950575358 /nfs/dbraw/zinc/57/53/58/950575358.db2.gz TTYIAKFJYCUHBA-MRVWCRGKSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O)n1cccn1 ZINC001574511760 950575342 /nfs/dbraw/zinc/57/53/42/950575342.db2.gz TTYIAKFJYCUHBA-MRVWCRGKSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@@H]1O)n1cccn1 ZINC001574511762 950577764 /nfs/dbraw/zinc/57/77/64/950577764.db2.gz TTYIAKFJYCUHBA-YUTCNCBUSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@@H]1O)n1cccn1 ZINC001574511762 950577747 /nfs/dbraw/zinc/57/77/47/950577747.db2.gz TTYIAKFJYCUHBA-YUTCNCBUSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C)NC(N)=O ZINC001574511882 950577533 /nfs/dbraw/zinc/57/75/33/950577533.db2.gz UNIPQVXOUOPXKJ-KBVBSXBZSA-N -1 3 391.411 -0.211 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C)NC(N)=O ZINC001574511882 950577511 /nfs/dbraw/zinc/57/75/11/950577511.db2.gz UNIPQVXOUOPXKJ-KBVBSXBZSA-N -1 3 391.411 -0.211 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C)NC(N)=O ZINC001574511883 950576552 /nfs/dbraw/zinc/57/65/52/950576552.db2.gz UNIPQVXOUOPXKJ-VDDIYKPWSA-N -1 3 391.411 -0.211 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C)NC(N)=O ZINC001574511883 950576521 /nfs/dbraw/zinc/57/65/21/950576521.db2.gz UNIPQVXOUOPXKJ-VDDIYKPWSA-N -1 3 391.411 -0.211 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1O)n1cccn1 ZINC001574511940 950581472 /nfs/dbraw/zinc/58/14/72/950581472.db2.gz XCGQGIYVCAQRKO-BNOWGMLFSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1O)n1cccn1 ZINC001574511940 950581454 /nfs/dbraw/zinc/58/14/54/950581454.db2.gz XCGQGIYVCAQRKO-BNOWGMLFSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)n1cccn1 ZINC001574511941 950579875 /nfs/dbraw/zinc/57/98/75/950579875.db2.gz XCGQGIYVCAQRKO-IACUBPJLSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)n1cccn1 ZINC001574511941 950579862 /nfs/dbraw/zinc/57/98/62/950579862.db2.gz XCGQGIYVCAQRKO-IACUBPJLSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)cn2)C[C@H]1O)n1cccn1 ZINC001574511942 950581356 /nfs/dbraw/zinc/58/13/56/950581356.db2.gz XCGQGIYVCAQRKO-MRVWCRGKSA-N -1 3 383.416 -0.225 20 0 GBADHM C[C@H](CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)cn2)C[C@H]1O)n1cccn1 ZINC001574511942 950581338 /nfs/dbraw/zinc/58/13/38/950581338.db2.gz XCGQGIYVCAQRKO-MRVWCRGKSA-N -1 3 383.416 -0.225 20 0 GBADHM 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C[C@H](C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CN1CCOCC1 ZINC001574530324 950979590 /nfs/dbraw/zinc/97/95/90/950979590.db2.gz BTVSNZGOAHJDRI-VXGBXAGGSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CN1CCOCC1 ZINC001574530324 950979579 /nfs/dbraw/zinc/97/95/79/950979579.db2.gz BTVSNZGOAHJDRI-VXGBXAGGSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](C[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CNC(=O)C1CC1 ZINC001574530618 950986983 /nfs/dbraw/zinc/98/69/83/950986983.db2.gz CNJKXSHLUFQGHL-NXEZZACHSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@H](C[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CNC(=O)C1CC1 ZINC001574530618 950986964 /nfs/dbraw/zinc/98/69/64/950986964.db2.gz CNJKXSHLUFQGHL-NXEZZACHSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CNC(=O)C1CC1 ZINC001574530619 950989787 /nfs/dbraw/zinc/98/97/87/950989787.db2.gz CNJKXSHLUFQGHL-UWVGGRQHSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CNC(=O)C1CC1 ZINC001574530619 950989765 /nfs/dbraw/zinc/98/97/65/950989765.db2.gz CNJKXSHLUFQGHL-UWVGGRQHSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574530620 950988029 /nfs/dbraw/zinc/98/80/29/950988029.db2.gz CNJKXSHLUFQGHL-VHSXEESVSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574530620 950988008 /nfs/dbraw/zinc/98/80/08/950988008.db2.gz CNJKXSHLUFQGHL-VHSXEESVSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CNC(=O)C1CC1 ZINC001574530621 950987799 /nfs/dbraw/zinc/98/77/99/950987799.db2.gz CNJKXSHLUFQGHL-ZJUUUORDSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CNC(=O)C1CC1 ZINC001574530621 950987781 /nfs/dbraw/zinc/98/77/81/950987781.db2.gz CNJKXSHLUFQGHL-ZJUUUORDSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@H](C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530874 951001194 /nfs/dbraw/zinc/00/11/94/951001194.db2.gz YEOZNHZFLLAZRJ-BDAKNGLRSA-N -1 3 387.404 -0.039 20 0 GBADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C)c(=O)[nH]1 ZINC001574530875 951002159 /nfs/dbraw/zinc/00/21/59/951002159.db2.gz YEOZNHZFLLAZRJ-DTWKUNHWSA-N -1 3 387.404 -0.039 20 0 GBADHM C[C@@H](C[C@H](C)NC(=O)c1cn(C)c(=O)[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530876 951003609 /nfs/dbraw/zinc/00/36/09/951003609.db2.gz YEOZNHZFLLAZRJ-IUCAKERBSA-N -1 3 387.404 -0.039 20 0 GBADHM C[C@H](C[C@@H](C)NC(=O)c1cn(C)c(=O)[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530877 951006949 /nfs/dbraw/zinc/00/69/49/951006949.db2.gz YEOZNHZFLLAZRJ-RKDXNWHRSA-N -1 3 387.404 -0.039 20 0 GBADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(=O)n1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530894 951006602 /nfs/dbraw/zinc/00/66/02/951006602.db2.gz DNDOGRMMHNFBAD-BDAKNGLRSA-N -1 3 387.404 -0.039 20 0 GBADHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(=O)n1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574530894 951006591 /nfs/dbraw/zinc/00/65/91/951006591.db2.gz DNDOGRMMHNFBAD-BDAKNGLRSA-N -1 3 387.404 -0.039 20 0 GBADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c[nH]c(=O)n1C ZINC001574530895 951007828 /nfs/dbraw/zinc/00/78/28/951007828.db2.gz DNDOGRMMHNFBAD-DTWKUNHWSA-N -1 3 387.404 -0.039 20 0 GBADHM C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c[nH]c(=O)n1C ZINC001574530895 951007809 /nfs/dbraw/zinc/00/78/09/951007809.db2.gz DNDOGRMMHNFBAD-DTWKUNHWSA-N -1 3 387.404 -0.039 20 0 GBADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(=O)n1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530896 951006850 /nfs/dbraw/zinc/00/68/50/951006850.db2.gz DNDOGRMMHNFBAD-IUCAKERBSA-N -1 3 387.404 -0.039 20 0 GBADHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(=O)n1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574530896 951006831 /nfs/dbraw/zinc/00/68/31/951006831.db2.gz DNDOGRMMHNFBAD-IUCAKERBSA-N -1 3 387.404 -0.039 20 0 GBADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(=O)n1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574530897 951007767 /nfs/dbraw/zinc/00/77/67/951007767.db2.gz DNDOGRMMHNFBAD-RKDXNWHRSA-N -1 3 387.404 -0.039 20 0 GBADHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(=O)n1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574530897 951007747 /nfs/dbraw/zinc/00/77/47/951007747.db2.gz DNDOGRMMHNFBAD-RKDXNWHRSA-N -1 3 387.404 -0.039 20 0 GBADHM O=C([O-])C1(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)CCS(=O)(=O)CC1 ZINC001574626209 962281167 /nfs/dbraw/zinc/28/11/67/962281167.db2.gz KNDXGSNRNZPMNL-CYBMUJFWSA-N -1 3 388.486 -0.117 20 0 GBADHM O=C([O-])C1(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)CCS(=O)(=O)CC1 ZINC001574626210 962280024 /nfs/dbraw/zinc/28/00/24/962280024.db2.gz KNDXGSNRNZPMNL-ZDUSSCGKSA-N -1 3 388.486 -0.117 20 0 GBADHM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@H](C)CN1CCOCC1 ZINC001574679602 948788519 /nfs/dbraw/zinc/78/85/19/948788519.db2.gz YMOAPZFTCXJLTH-CHWSQXEVSA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@H](C)CN1CCOCC1 ZINC001574679602 948788516 /nfs/dbraw/zinc/78/85/16/948788516.db2.gz YMOAPZFTCXJLTH-CHWSQXEVSA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)CCNc1cncc(-c2nn[n-]n2)n1 ZINC001574679603 948788479 /nfs/dbraw/zinc/78/84/79/948788479.db2.gz YMOAPZFTCXJLTH-OLZOCXBDSA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)CCNc1cncc(-c2nnn[n-]2)n1 ZINC001574679603 948788468 /nfs/dbraw/zinc/78/84/68/948788468.db2.gz YMOAPZFTCXJLTH-OLZOCXBDSA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001574679604 948787457 /nfs/dbraw/zinc/78/74/57/948787457.db2.gz YMOAPZFTCXJLTH-QWHCGFSZSA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001574679604 948787436 /nfs/dbraw/zinc/78/74/36/948787436.db2.gz YMOAPZFTCXJLTH-QWHCGFSZSA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001574679605 948789888 /nfs/dbraw/zinc/78/98/88/948789888.db2.gz YMOAPZFTCXJLTH-STQMWFEESA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001574679605 948789873 /nfs/dbraw/zinc/78/98/73/948789873.db2.gz YMOAPZFTCXJLTH-STQMWFEESA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCN1CCOCC1 ZINC001574681358 948818642 /nfs/dbraw/zinc/81/86/42/948818642.db2.gz LZNJXURQNFZXMJ-GFCCVEGCSA-N -1 3 375.437 -0.314 20 0 GBADHM C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCN1CCOCC1 ZINC001574681358 948818620 /nfs/dbraw/zinc/81/86/20/948818620.db2.gz LZNJXURQNFZXMJ-GFCCVEGCSA-N -1 3 375.437 -0.314 20 0 GBADHM C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)CCN1CCOCC1 ZINC001574681359 948816253 /nfs/dbraw/zinc/81/62/53/948816253.db2.gz LZNJXURQNFZXMJ-LBPRGKRZSA-N -1 3 375.437 -0.314 20 0 GBADHM C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)CCN1CCOCC1 ZINC001574681359 948816238 /nfs/dbraw/zinc/81/62/38/948816238.db2.gz LZNJXURQNFZXMJ-LBPRGKRZSA-N -1 3 375.437 -0.314 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574684236 948857817 /nfs/dbraw/zinc/85/78/17/948857817.db2.gz CGBIOESWBMGLEC-GZMMTYOYSA-N -1 3 377.384 -0.269 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574684236 948857799 /nfs/dbraw/zinc/85/77/99/948857799.db2.gz CGBIOESWBMGLEC-GZMMTYOYSA-N -1 3 377.384 -0.269 20 0 GBADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574684239 948859030 /nfs/dbraw/zinc/85/90/30/948859030.db2.gz CGBIOESWBMGLEC-KCJUWKMLSA-N -1 3 377.384 -0.269 20 0 GBADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574684239 948859016 /nfs/dbraw/zinc/85/90/16/948859016.db2.gz CGBIOESWBMGLEC-KCJUWKMLSA-N -1 3 377.384 -0.269 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574684241 948857690 /nfs/dbraw/zinc/85/76/90/948857690.db2.gz CGBIOESWBMGLEC-KWQFWETISA-N -1 3 377.384 -0.269 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001574684241 948857669 /nfs/dbraw/zinc/85/76/69/948857669.db2.gz CGBIOESWBMGLEC-KWQFWETISA-N -1 3 377.384 -0.269 20 0 GBADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574684243 948860165 /nfs/dbraw/zinc/86/01/65/948860165.db2.gz CGBIOESWBMGLEC-LDYMZIIASA-N -1 3 377.384 -0.269 20 0 GBADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001574684243 948860141 /nfs/dbraw/zinc/86/01/41/948860141.db2.gz CGBIOESWBMGLEC-LDYMZIIASA-N -1 3 377.384 -0.269 20 0 GBADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CNC(=O)N1 ZINC001574685412 948907544 /nfs/dbraw/zinc/90/75/44/948907544.db2.gz VNWQRMUSUXXSSM-GMSGAONNSA-N -1 3 379.812 -0.097 20 0 GBADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CNC(=O)N1 ZINC001574685412 948907533 /nfs/dbraw/zinc/90/75/33/948907533.db2.gz VNWQRMUSUXXSSM-GMSGAONNSA-N -1 3 379.812 -0.097 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@H]1CNC(=O)N1 ZINC001574685413 948908309 /nfs/dbraw/zinc/90/83/09/948908309.db2.gz VNWQRMUSUXXSSM-OIBJUYFYSA-N -1 3 379.812 -0.097 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@H]1CNC(=O)N1 ZINC001574685413 948908299 /nfs/dbraw/zinc/90/82/99/948908299.db2.gz VNWQRMUSUXXSSM-OIBJUYFYSA-N -1 3 379.812 -0.097 20 0 GBADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574685414 948907803 /nfs/dbraw/zinc/90/78/03/948907803.db2.gz VNWQRMUSUXXSSM-XCBNKYQSSA-N -1 3 379.812 -0.097 20 0 GBADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574685414 948907792 /nfs/dbraw/zinc/90/77/92/948907792.db2.gz VNWQRMUSUXXSSM-XCBNKYQSSA-N -1 3 379.812 -0.097 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1Cl)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574685415 948907834 /nfs/dbraw/zinc/90/78/34/948907834.db2.gz VNWQRMUSUXXSSM-XVKPBYJWSA-N -1 3 379.812 -0.097 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1Cl)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574685415 948907827 /nfs/dbraw/zinc/90/78/27/948907827.db2.gz VNWQRMUSUXXSSM-XVKPBYJWSA-N -1 3 379.812 -0.097 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN1CCNC(=O)C1 ZINC001574685713 948919943 /nfs/dbraw/zinc/91/99/43/948919943.db2.gz AEMPUYYMELWYIJ-JTQLQIEISA-N -1 3 391.411 -0.861 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN1CCNC(=O)C1 ZINC001574685713 948919936 /nfs/dbraw/zinc/91/99/36/948919936.db2.gz AEMPUYYMELWYIJ-JTQLQIEISA-N -1 3 391.411 -0.861 20 0 GBADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN1CCNC(=O)C1 ZINC001574685715 948919800 /nfs/dbraw/zinc/91/98/00/948919800.db2.gz AEMPUYYMELWYIJ-SNVBAGLBSA-N -1 3 391.411 -0.861 20 0 GBADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN1CCNC(=O)C1 ZINC001574685715 948919791 /nfs/dbraw/zinc/91/97/91/948919791.db2.gz AEMPUYYMELWYIJ-SNVBAGLBSA-N -1 3 391.411 -0.861 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CS(=O)(=O)N(C)C ZINC001574685721 948918141 /nfs/dbraw/zinc/91/81/41/948918141.db2.gz AHVYHUJDYLZFSW-JTQLQIEISA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CS(=O)(=O)N(C)C ZINC001574685721 948918129 /nfs/dbraw/zinc/91/81/29/948918129.db2.gz AHVYHUJDYLZFSW-JTQLQIEISA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CS(=O)(=O)N(C)C ZINC001574685722 948919445 /nfs/dbraw/zinc/91/94/45/948919445.db2.gz AHVYHUJDYLZFSW-SNVBAGLBSA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CS(=O)(=O)N(C)C ZINC001574685722 948919434 /nfs/dbraw/zinc/91/94/34/948919434.db2.gz AHVYHUJDYLZFSW-SNVBAGLBSA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)Cn1ncn(C)c1=O ZINC001574685831 948922776 /nfs/dbraw/zinc/92/27/76/948922776.db2.gz BDVYGOHNFKLRMQ-SECBINFHSA-N -1 3 390.383 -0.697 20 0 GBADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)Cn1ncn(C)c1=O ZINC001574685831 948922766 /nfs/dbraw/zinc/92/27/66/948922766.db2.gz BDVYGOHNFKLRMQ-SECBINFHSA-N -1 3 390.383 -0.697 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)Cn1ncn(C)c1=O ZINC001574685833 948921282 /nfs/dbraw/zinc/92/12/82/948921282.db2.gz BDVYGOHNFKLRMQ-VIFPVBQESA-N -1 3 390.383 -0.697 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)Cn1ncn(C)c1=O ZINC001574685833 948921272 /nfs/dbraw/zinc/92/12/72/948921272.db2.gz BDVYGOHNFKLRMQ-VIFPVBQESA-N -1 3 390.383 -0.697 20 0 GBADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001574685982 948926442 /nfs/dbraw/zinc/92/64/42/948926442.db2.gz COOGZTRCSVPHNV-JFUSQASVSA-N -1 3 392.395 -0.260 20 0 GBADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001574685982 948926429 /nfs/dbraw/zinc/92/64/29/948926429.db2.gz COOGZTRCSVPHNV-JFUSQASVSA-N -1 3 392.395 -0.260 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001574685983 948926620 /nfs/dbraw/zinc/92/66/20/948926620.db2.gz COOGZTRCSVPHNV-KPXOXKRLSA-N -1 3 392.395 -0.260 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001574685983 948926612 /nfs/dbraw/zinc/92/66/12/948926612.db2.gz COOGZTRCSVPHNV-KPXOXKRLSA-N -1 3 392.395 -0.260 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CN1CCC(=O)NC1=O ZINC001574686006 948926589 /nfs/dbraw/zinc/92/65/89/948926589.db2.gz DCJPGSJJWSIXCK-JTQLQIEISA-N -1 3 387.404 -0.490 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CN1CCC(=O)NC1=O ZINC001574686006 948926578 /nfs/dbraw/zinc/92/65/78/948926578.db2.gz DCJPGSJJWSIXCK-JTQLQIEISA-N -1 3 387.404 -0.490 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CN1CCC(=O)NC1=O ZINC001574686007 948925417 /nfs/dbraw/zinc/92/54/17/948925417.db2.gz DCJPGSJJWSIXCK-SNVBAGLBSA-N -1 3 387.404 -0.490 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CN1CCC(=O)NC1=O ZINC001574686007 948925411 /nfs/dbraw/zinc/92/54/11/948925411.db2.gz DCJPGSJJWSIXCK-SNVBAGLBSA-N -1 3 387.404 -0.490 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001574686156 948929545 /nfs/dbraw/zinc/92/95/45/948929545.db2.gz FBTVCDBTKAXTGN-GXSJLCMTSA-N -1 3 380.434 -0.740 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001574686156 948929532 /nfs/dbraw/zinc/92/95/32/948929532.db2.gz FBTVCDBTKAXTGN-GXSJLCMTSA-N -1 3 380.434 -0.740 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001574686157 948928030 /nfs/dbraw/zinc/92/80/30/948928030.db2.gz FBTVCDBTKAXTGN-KOLCDFICSA-N -1 3 380.434 -0.740 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001574686157 948928015 /nfs/dbraw/zinc/92/80/15/948928015.db2.gz FBTVCDBTKAXTGN-KOLCDFICSA-N -1 3 380.434 -0.740 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001574686158 948927551 /nfs/dbraw/zinc/92/75/51/948927551.db2.gz FBTVCDBTKAXTGN-MWLCHTKSSA-N -1 3 380.434 -0.740 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001574686158 948927540 /nfs/dbraw/zinc/92/75/40/948927540.db2.gz FBTVCDBTKAXTGN-MWLCHTKSSA-N -1 3 380.434 -0.740 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001574686159 948928733 /nfs/dbraw/zinc/92/87/33/948928733.db2.gz FBTVCDBTKAXTGN-ONGXEEELSA-N -1 3 380.434 -0.740 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001574686159 948928721 /nfs/dbraw/zinc/92/87/21/948928721.db2.gz FBTVCDBTKAXTGN-ONGXEEELSA-N -1 3 380.434 -0.740 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CN(C)S(C)(=O)=O ZINC001574686354 948933317 /nfs/dbraw/zinc/93/33/17/948933317.db2.gz HJZGDCWZTMHOTC-JTQLQIEISA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CN(C)S(C)(=O)=O ZINC001574686354 948933302 /nfs/dbraw/zinc/93/33/02/948933302.db2.gz HJZGDCWZTMHOTC-JTQLQIEISA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CN(C)S(C)(=O)=O ZINC001574686355 948933021 /nfs/dbraw/zinc/93/30/21/948933021.db2.gz HJZGDCWZTMHOTC-SNVBAGLBSA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CN(C)S(C)(=O)=O ZINC001574686355 948933013 /nfs/dbraw/zinc/93/30/13/948933013.db2.gz HJZGDCWZTMHOTC-SNVBAGLBSA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1ncn(C)c1=O ZINC001574686568 948933968 /nfs/dbraw/zinc/93/39/68/948933968.db2.gz JRKSLXHKYLIHAT-LLVKDONJSA-N -1 3 386.420 -0.446 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1ncn(C)c1=O ZINC001574686568 948933952 /nfs/dbraw/zinc/93/39/52/948933952.db2.gz JRKSLXHKYLIHAT-LLVKDONJSA-N -1 3 386.420 -0.446 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CCn1ncn(C)c1=O ZINC001574686569 948936365 /nfs/dbraw/zinc/93/63/65/948936365.db2.gz JRKSLXHKYLIHAT-NSHDSACASA-N -1 3 386.420 -0.446 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CCn1ncn(C)c1=O ZINC001574686569 948936357 /nfs/dbraw/zinc/93/63/57/948936357.db2.gz JRKSLXHKYLIHAT-NSHDSACASA-N -1 3 386.420 -0.446 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN1CCOCC1=O ZINC001574686793 948942756 /nfs/dbraw/zinc/94/27/56/948942756.db2.gz LUGOZSFOCYAOHW-JTQLQIEISA-N -1 3 392.395 -0.434 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN1CCOCC1=O ZINC001574686793 948942743 /nfs/dbraw/zinc/94/27/43/948942743.db2.gz LUGOZSFOCYAOHW-JTQLQIEISA-N -1 3 392.395 -0.434 20 0 GBADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN1CCOCC1=O ZINC001574686794 948940806 /nfs/dbraw/zinc/94/08/06/948940806.db2.gz LUGOZSFOCYAOHW-SNVBAGLBSA-N -1 3 392.395 -0.434 20 0 GBADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN1CCOCC1=O ZINC001574686794 948940795 /nfs/dbraw/zinc/94/07/95/948940795.db2.gz LUGOZSFOCYAOHW-SNVBAGLBSA-N -1 3 392.395 -0.434 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CN1CC(=O)N(C)C1=O ZINC001574688645 948967300 /nfs/dbraw/zinc/96/73/00/948967300.db2.gz WYEWRDUZWBVLRL-JTQLQIEISA-N -1 3 387.404 -0.538 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CN1CC(=O)N(C)C1=O ZINC001574688645 948967294 /nfs/dbraw/zinc/96/72/94/948967294.db2.gz WYEWRDUZWBVLRL-JTQLQIEISA-N -1 3 387.404 -0.538 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)CN1CC(=O)N(C)C1=O ZINC001574688646 948966542 /nfs/dbraw/zinc/96/65/42/948966542.db2.gz WYEWRDUZWBVLRL-SNVBAGLBSA-N -1 3 387.404 -0.538 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)CN1CC(=O)N(C)C1=O ZINC001574688646 948966530 /nfs/dbraw/zinc/96/65/30/948966530.db2.gz WYEWRDUZWBVLRL-SNVBAGLBSA-N -1 3 387.404 -0.538 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001574688763 948971297 /nfs/dbraw/zinc/97/12/97/948971297.db2.gz YZNQGZQTWLTIJL-NXEZZACHSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H](C)NS(C)(=O)=O ZINC001574688763 948971282 /nfs/dbraw/zinc/97/12/82/948971282.db2.gz YZNQGZQTWLTIJL-NXEZZACHSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001574688764 948971204 /nfs/dbraw/zinc/97/12/04/948971204.db2.gz YZNQGZQTWLTIJL-UWVGGRQHSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001574688764 948971191 /nfs/dbraw/zinc/97/11/91/948971191.db2.gz YZNQGZQTWLTIJL-UWVGGRQHSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001574688765 948971502 /nfs/dbraw/zinc/97/15/02/948971502.db2.gz YZNQGZQTWLTIJL-VHSXEESVSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001574688765 948971486 /nfs/dbraw/zinc/97/14/86/948971486.db2.gz YZNQGZQTWLTIJL-VHSXEESVSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001574688766 948970361 /nfs/dbraw/zinc/97/03/61/948970361.db2.gz YZNQGZQTWLTIJL-ZJUUUORDSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)[C@H](C)NS(C)(=O)=O ZINC001574688766 948970347 /nfs/dbraw/zinc/97/03/47/948970347.db2.gz YZNQGZQTWLTIJL-ZJUUUORDSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN1C(=O)CNC1=O ZINC001574688777 948971054 /nfs/dbraw/zinc/97/10/54/948971054.db2.gz ZBUJJDPOLQQYTN-MRVPVSSYSA-N -1 3 391.367 -0.741 20 0 GBADHM C[C@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN1C(=O)CNC1=O ZINC001574688777 948971044 /nfs/dbraw/zinc/97/10/44/948971044.db2.gz ZBUJJDPOLQQYTN-MRVPVSSYSA-N -1 3 391.367 -0.741 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)CN1C(=O)CNC1=O ZINC001574688778 948968867 /nfs/dbraw/zinc/96/88/67/948968867.db2.gz ZBUJJDPOLQQYTN-QMMMGPOBSA-N -1 3 391.367 -0.741 20 0 GBADHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)CN1C(=O)CNC1=O ZINC001574688778 948968857 /nfs/dbraw/zinc/96/88/57/948968857.db2.gz ZBUJJDPOLQQYTN-QMMMGPOBSA-N -1 3 391.367 -0.741 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001574689171 948980040 /nfs/dbraw/zinc/98/00/40/948980040.db2.gz FBZYFQNZVMRGHF-JTQLQIEISA-N -1 3 385.388 -0.469 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001574689171 948980031 /nfs/dbraw/zinc/98/00/31/948980031.db2.gz FBZYFQNZVMRGHF-JTQLQIEISA-N -1 3 385.388 -0.469 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001574689172 948981660 /nfs/dbraw/zinc/98/16/60/948981660.db2.gz FBZYFQNZVMRGHF-SNVBAGLBSA-N -1 3 385.388 -0.469 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)Cn1ccc(=O)[nH]c1=O ZINC001574689172 948981652 /nfs/dbraw/zinc/98/16/52/948981652.db2.gz FBZYFQNZVMRGHF-SNVBAGLBSA-N -1 3 385.388 -0.469 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001574689553 948986023 /nfs/dbraw/zinc/98/60/23/948986023.db2.gz ILKOJGLNJPVCJO-SECBINFHSA-N -1 3 385.388 -0.319 20 0 GBADHM C[C@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001574689553 948986009 /nfs/dbraw/zinc/98/60/09/948986009.db2.gz ILKOJGLNJPVCJO-SECBINFHSA-N -1 3 385.388 -0.319 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001574689554 948986608 /nfs/dbraw/zinc/98/66/08/948986608.db2.gz ILKOJGLNJPVCJO-VIFPVBQESA-N -1 3 385.388 -0.319 20 0 GBADHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cn(C)c(=O)[nH]c1=O ZINC001574689554 948986592 /nfs/dbraw/zinc/98/65/92/948986592.db2.gz ILKOJGLNJPVCJO-VIFPVBQESA-N -1 3 385.388 -0.319 20 0 GBADHM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@H](C)CN1CCOCC1 ZINC001574691283 949016884 /nfs/dbraw/zinc/01/68/84/949016884.db2.gz WCKANXQAEIWWGU-CHWSQXEVSA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@H](C)CN1CCOCC1 ZINC001574691283 949016868 /nfs/dbraw/zinc/01/68/68/949016868.db2.gz WCKANXQAEIWWGU-CHWSQXEVSA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)CCNc1nccnc1-c1nn[n-]n1 ZINC001574691284 949017484 /nfs/dbraw/zinc/01/74/84/949017484.db2.gz WCKANXQAEIWWGU-OLZOCXBDSA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)CCNc1nccnc1-c1nnn[n-]1 ZINC001574691284 949017462 /nfs/dbraw/zinc/01/74/62/949017462.db2.gz WCKANXQAEIWWGU-OLZOCXBDSA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001574691285 949018512 /nfs/dbraw/zinc/01/85/12/949018512.db2.gz WCKANXQAEIWWGU-QWHCGFSZSA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001574691285 949018494 /nfs/dbraw/zinc/01/84/94/949018494.db2.gz WCKANXQAEIWWGU-QWHCGFSZSA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001574691286 949017276 /nfs/dbraw/zinc/01/72/76/949017276.db2.gz WCKANXQAEIWWGU-STQMWFEESA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001574691286 949017257 /nfs/dbraw/zinc/01/72/57/949017257.db2.gz WCKANXQAEIWWGU-STQMWFEESA-N -1 3 389.464 -0.068 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574697983 949172072 /nfs/dbraw/zinc/17/20/72/949172072.db2.gz DTPGTNZUUSWIRE-BDAKNGLRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574697983 949172062 /nfs/dbraw/zinc/17/20/62/949172062.db2.gz DTPGTNZUUSWIRE-BDAKNGLRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)S(C)(=O)=O ZINC001574697984 949172741 /nfs/dbraw/zinc/17/27/41/949172741.db2.gz DTPGTNZUUSWIRE-DTWKUNHWSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](C(=O)N(C)C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)S(C)(=O)=O ZINC001574697984 949172736 /nfs/dbraw/zinc/17/27/36/949172736.db2.gz DTPGTNZUUSWIRE-DTWKUNHWSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574697985 949170370 /nfs/dbraw/zinc/17/03/70/949170370.db2.gz DTPGTNZUUSWIRE-IUCAKERBSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574697985 949170359 /nfs/dbraw/zinc/17/03/59/949170359.db2.gz DTPGTNZUUSWIRE-IUCAKERBSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H](C)S(C)(=O)=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574697986 949172181 /nfs/dbraw/zinc/17/21/81/949172181.db2.gz DTPGTNZUUSWIRE-RKDXNWHRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H](C)S(C)(=O)=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574697986 949172163 /nfs/dbraw/zinc/17/21/63/949172163.db2.gz DTPGTNZUUSWIRE-RKDXNWHRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H](C)CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698079 949176119 /nfs/dbraw/zinc/17/61/19/949176119.db2.gz FWRJDMVCSAIQMD-CHWSQXEVSA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@H](CN1CCOCC1)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698080 949176058 /nfs/dbraw/zinc/17/60/58/949176058.db2.gz FWRJDMVCSAIQMD-OLZOCXBDSA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698081 949176333 /nfs/dbraw/zinc/17/63/33/949176333.db2.gz FWRJDMVCSAIQMD-QWHCGFSZSA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574698082 949176705 /nfs/dbraw/zinc/17/67/05/949176705.db2.gz FWRJDMVCSAIQMD-STQMWFEESA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H](C)NS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574698149 949178019 /nfs/dbraw/zinc/17/80/19/949178019.db2.gz GRLNIUFILLCAHI-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H](C)NS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574698149 949178006 /nfs/dbraw/zinc/17/80/06/949178006.db2.gz GRLNIUFILLCAHI-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574698150 949179171 /nfs/dbraw/zinc/17/91/71/949179171.db2.gz GRLNIUFILLCAHI-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574698150 949179158 /nfs/dbraw/zinc/17/91/58/949179158.db2.gz GRLNIUFILLCAHI-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574698151 949178281 /nfs/dbraw/zinc/17/82/81/949178281.db2.gz GRLNIUFILLCAHI-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574698151 949178265 /nfs/dbraw/zinc/17/82/65/949178265.db2.gz GRLNIUFILLCAHI-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574698152 949180501 /nfs/dbraw/zinc/18/05/01/949180501.db2.gz GRLNIUFILLCAHI-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574698152 949180488 /nfs/dbraw/zinc/18/04/88/949180488.db2.gz GRLNIUFILLCAHI-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H](C)CN1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698175 949178137 /nfs/dbraw/zinc/17/81/37/949178137.db2.gz GZQCEQJPEICTAN-CHWSQXEVSA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@H](CN1CCOCC1)C(=O)N(C)C[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001574698176 949179099 /nfs/dbraw/zinc/17/90/99/949179099.db2.gz GZQCEQJPEICTAN-OLZOCXBDSA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698177 949179937 /nfs/dbraw/zinc/17/99/37/949179937.db2.gz GZQCEQJPEICTAN-QWHCGFSZSA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574698178 949178603 /nfs/dbraw/zinc/17/86/03/949178603.db2.gz GZQCEQJPEICTAN-STQMWFEESA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H](C)CN1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698737 949202983 /nfs/dbraw/zinc/20/29/83/949202983.db2.gz OHWSGLWQTPFNHN-CHWSQXEVSA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@H](CN1CCOCC1)C(=O)N(C)C[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698738 949205566 /nfs/dbraw/zinc/20/55/66/949205566.db2.gz OHWSGLWQTPFNHN-OLZOCXBDSA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698739 949204130 /nfs/dbraw/zinc/20/41/30/949204130.db2.gz OHWSGLWQTPFNHN-QWHCGFSZSA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574698740 949203494 /nfs/dbraw/zinc/20/34/94/949203494.db2.gz OHWSGLWQTPFNHN-STQMWFEESA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H](C)NS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574698741 949203410 /nfs/dbraw/zinc/20/34/10/949203410.db2.gz OIQSGCVEJQNRGF-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H](C)NS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574698741 949203391 /nfs/dbraw/zinc/20/33/91/949203391.db2.gz OIQSGCVEJQNRGF-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574698742 949202378 /nfs/dbraw/zinc/20/23/78/949202378.db2.gz OIQSGCVEJQNRGF-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574698742 949202359 /nfs/dbraw/zinc/20/23/59/949202359.db2.gz OIQSGCVEJQNRGF-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574698743 949205678 /nfs/dbraw/zinc/20/56/78/949205678.db2.gz OIQSGCVEJQNRGF-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NS(C)(=O)=O)C(=O)N(C)C[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574698743 949205659 /nfs/dbraw/zinc/20/56/59/949205659.db2.gz OIQSGCVEJQNRGF-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574698744 949203979 /nfs/dbraw/zinc/20/39/79/949203979.db2.gz OIQSGCVEJQNRGF-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H](C)NS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574698744 949203963 /nfs/dbraw/zinc/20/39/63/949203963.db2.gz OIQSGCVEJQNRGF-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574698979 949220105 /nfs/dbraw/zinc/22/01/05/949220105.db2.gz QVPNPHHEUKHDOF-BDAKNGLRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574698979 949220075 /nfs/dbraw/zinc/22/00/75/949220075.db2.gz QVPNPHHEUKHDOF-BDAKNGLRSA-N -1 3 383.434 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C[C@H](CN(C)C(=O)[C@@H](C)S(C)(=O)=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574698982 949217328 /nfs/dbraw/zinc/21/73/28/949217328.db2.gz QVPNPHHEUKHDOF-RKDXNWHRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H](C)CN1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574699231 949233666 /nfs/dbraw/zinc/23/36/66/949233666.db2.gz ULPPCNNVJRDDBS-CHWSQXEVSA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@H](CN1CCOCC1)C(=O)N(C)C[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574699232 949233506 /nfs/dbraw/zinc/23/35/06/949233506.db2.gz ULPPCNNVJRDDBS-OLZOCXBDSA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574699233 949232774 /nfs/dbraw/zinc/23/27/74/949232774.db2.gz ULPPCNNVJRDDBS-QWHCGFSZSA-N -1 3 389.464 -0.116 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574699234 949235861 /nfs/dbraw/zinc/23/58/61/949235861.db2.gz ULPPCNNVJRDDBS-STQMWFEESA-N -1 3 389.464 -0.116 20 0 GBADHM 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ZINC001574699425 949236928 /nfs/dbraw/zinc/23/69/28/949236928.db2.gz URUSEBYTIFMUHD-QWHCGFSZSA-N -1 3 389.464 -0.694 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574699426 949237296 /nfs/dbraw/zinc/23/72/96/949237296.db2.gz URUSEBYTIFMUHD-STQMWFEESA-N -1 3 389.464 -0.694 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574699426 949237277 /nfs/dbraw/zinc/23/72/77/949237277.db2.gz URUSEBYTIFMUHD-STQMWFEESA-N -1 3 389.464 -0.694 20 0 GBADHM C[C@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574702106 949275940 /nfs/dbraw/zinc/27/59/40/949275940.db2.gz GSUVECAHLXGCKY-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574702106 949275926 /nfs/dbraw/zinc/27/59/26/949275926.db2.gz GSUVECAHLXGCKY-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574702107 949274916 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/nfs/dbraw/zinc/33/14/58/949331458.db2.gz WALLXOFCZWVQGM-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574705253 949419570 /nfs/dbraw/zinc/41/95/70/949419570.db2.gz GRZCGMHIKJOUNN-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574705253 949419554 /nfs/dbraw/zinc/41/95/54/949419554.db2.gz GRZCGMHIKJOUNN-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574705254 949419433 /nfs/dbraw/zinc/41/94/33/949419433.db2.gz GRZCGMHIKJOUNN-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574705254 949419414 /nfs/dbraw/zinc/41/94/14/949419414.db2.gz GRZCGMHIKJOUNN-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574705255 949420641 /nfs/dbraw/zinc/42/06/41/949420641.db2.gz GRZCGMHIKJOUNN-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574705255 949420631 /nfs/dbraw/zinc/42/06/31/949420631.db2.gz GRZCGMHIKJOUNN-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574705256 949420951 /nfs/dbraw/zinc/42/09/51/949420951.db2.gz GRZCGMHIKJOUNN-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574705256 949420945 /nfs/dbraw/zinc/42/09/45/949420945.db2.gz GRZCGMHIKJOUNN-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574707846 949481001 /nfs/dbraw/zinc/48/10/01/949481001.db2.gz QZZTWOBQDQRXDO-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574707846 949480991 /nfs/dbraw/zinc/48/09/91/949480991.db2.gz QZZTWOBQDQRXDO-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574707847 949479717 /nfs/dbraw/zinc/47/97/17/949479717.db2.gz QZZTWOBQDQRXDO-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574707847 949479696 /nfs/dbraw/zinc/47/96/96/949479696.db2.gz QZZTWOBQDQRXDO-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574707848 949480437 /nfs/dbraw/zinc/48/04/37/949480437.db2.gz QZZTWOBQDQRXDO-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574707848 949480419 /nfs/dbraw/zinc/48/04/19/949480419.db2.gz QZZTWOBQDQRXDO-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574707849 949480384 /nfs/dbraw/zinc/48/03/84/949480384.db2.gz QZZTWOBQDQRXDO-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574707849 949480365 /nfs/dbraw/zinc/48/03/65/949480365.db2.gz QZZTWOBQDQRXDO-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574708072 949482914 /nfs/dbraw/zinc/48/29/14/949482914.db2.gz SNKBHGJBAHTGRI-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574708072 949482895 /nfs/dbraw/zinc/48/28/95/949482895.db2.gz SNKBHGJBAHTGRI-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574708073 949482801 /nfs/dbraw/zinc/48/28/01/949482801.db2.gz SNKBHGJBAHTGRI-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574708073 949482788 /nfs/dbraw/zinc/48/27/88/949482788.db2.gz SNKBHGJBAHTGRI-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574708074 949485812 /nfs/dbraw/zinc/48/58/12/949485812.db2.gz SNKBHGJBAHTGRI-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574708074 949485797 /nfs/dbraw/zinc/48/57/97/949485797.db2.gz SNKBHGJBAHTGRI-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574708075 949485060 /nfs/dbraw/zinc/48/50/60/949485060.db2.gz SNKBHGJBAHTGRI-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574708075 949485046 /nfs/dbraw/zinc/48/50/46/949485046.db2.gz SNKBHGJBAHTGRI-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574711206 949526099 /nfs/dbraw/zinc/52/60/99/949526099.db2.gz FCKLQEPNLVAFMN-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574711206 949526082 /nfs/dbraw/zinc/52/60/82/949526082.db2.gz FCKLQEPNLVAFMN-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574711207 949527309 /nfs/dbraw/zinc/52/73/09/949527309.db2.gz FCKLQEPNLVAFMN-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574711207 949527295 /nfs/dbraw/zinc/52/72/95/949527295.db2.gz FCKLQEPNLVAFMN-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574711208 949528910 /nfs/dbraw/zinc/52/89/10/949528910.db2.gz FCKLQEPNLVAFMN-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574711208 949528902 /nfs/dbraw/zinc/52/89/02/949528902.db2.gz FCKLQEPNLVAFMN-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574711209 949528670 /nfs/dbraw/zinc/52/86/70/949528670.db2.gz FCKLQEPNLVAFMN-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574711209 949528660 /nfs/dbraw/zinc/52/86/60/949528660.db2.gz FCKLQEPNLVAFMN-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574711516 949542229 /nfs/dbraw/zinc/54/22/29/949542229.db2.gz IHGIACOXHMVFPY-GMSGAONNSA-N -1 3 379.812 -0.145 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574711516 949542216 /nfs/dbraw/zinc/54/22/16/949542216.db2.gz IHGIACOXHMVFPY-GMSGAONNSA-N -1 3 379.812 -0.145 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574711517 949543658 /nfs/dbraw/zinc/54/36/58/949543658.db2.gz IHGIACOXHMVFPY-OIBJUYFYSA-N -1 3 379.812 -0.145 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CNC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574711517 949543638 /nfs/dbraw/zinc/54/36/38/949543638.db2.gz IHGIACOXHMVFPY-OIBJUYFYSA-N -1 3 379.812 -0.145 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574711518 949541412 /nfs/dbraw/zinc/54/14/12/949541412.db2.gz IHGIACOXHMVFPY-XCBNKYQSSA-N -1 3 379.812 -0.145 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574711518 949541390 /nfs/dbraw/zinc/54/13/90/949541390.db2.gz IHGIACOXHMVFPY-XCBNKYQSSA-N -1 3 379.812 -0.145 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574711519 949540836 /nfs/dbraw/zinc/54/08/36/949540836.db2.gz IHGIACOXHMVFPY-XVKPBYJWSA-N -1 3 379.812 -0.145 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CNC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574711519 949540823 /nfs/dbraw/zinc/54/08/23/949540823.db2.gz IHGIACOXHMVFPY-XVKPBYJWSA-N -1 3 379.812 -0.145 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711665 949547636 /nfs/dbraw/zinc/54/76/36/949547636.db2.gz KGQKGXKVXMQJGQ-GXSJLCMTSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711665 949547617 /nfs/dbraw/zinc/54/76/17/949547617.db2.gz KGQKGXKVXMQJGQ-GXSJLCMTSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711666 949546683 /nfs/dbraw/zinc/54/66/83/949546683.db2.gz KGQKGXKVXMQJGQ-KOLCDFICSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711666 949546672 /nfs/dbraw/zinc/54/66/72/949546672.db2.gz KGQKGXKVXMQJGQ-KOLCDFICSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711667 949546524 /nfs/dbraw/zinc/54/65/24/949546524.db2.gz KGQKGXKVXMQJGQ-MWLCHTKSSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711667 949546512 /nfs/dbraw/zinc/54/65/12/949546512.db2.gz KGQKGXKVXMQJGQ-MWLCHTKSSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711668 949545165 /nfs/dbraw/zinc/54/51/65/949545165.db2.gz KGQKGXKVXMQJGQ-ONGXEEELSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711668 949545153 /nfs/dbraw/zinc/54/51/53/949545153.db2.gz KGQKGXKVXMQJGQ-ONGXEEELSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711747 949551788 /nfs/dbraw/zinc/55/17/88/949551788.db2.gz LJXLOPRMYFQPSU-GXSJLCMTSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711747 949551771 /nfs/dbraw/zinc/55/17/71/949551771.db2.gz LJXLOPRMYFQPSU-GXSJLCMTSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711748 949551580 /nfs/dbraw/zinc/55/15/80/949551580.db2.gz LJXLOPRMYFQPSU-KOLCDFICSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711748 949551567 /nfs/dbraw/zinc/55/15/67/949551567.db2.gz LJXLOPRMYFQPSU-KOLCDFICSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711749 949554885 /nfs/dbraw/zinc/55/48/85/949554885.db2.gz LJXLOPRMYFQPSU-MWLCHTKSSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)N1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711749 949554869 /nfs/dbraw/zinc/55/48/69/949554869.db2.gz LJXLOPRMYFQPSU-MWLCHTKSSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574711750 949554416 /nfs/dbraw/zinc/55/44/16/949554416.db2.gz LJXLOPRMYFQPSU-ONGXEEELSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)N1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574711750 949554399 /nfs/dbraw/zinc/55/43/99/949554399.db2.gz LJXLOPRMYFQPSU-ONGXEEELSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711763 949554706 /nfs/dbraw/zinc/55/47/06/949554706.db2.gz LSHGAMZUVCCCKI-GHMZBOCLSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711763 949554692 /nfs/dbraw/zinc/55/46/92/949554692.db2.gz LSHGAMZUVCCCKI-GHMZBOCLSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711764 949557314 /nfs/dbraw/zinc/55/73/14/949557314.db2.gz LSHGAMZUVCCCKI-MNOVXSKESA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711764 949557297 /nfs/dbraw/zinc/55/72/97/949557297.db2.gz LSHGAMZUVCCCKI-MNOVXSKESA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711765 949557776 /nfs/dbraw/zinc/55/77/76/949557776.db2.gz LSHGAMZUVCCCKI-QWRGUYRKSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711765 949557761 /nfs/dbraw/zinc/55/77/61/949557761.db2.gz LSHGAMZUVCCCKI-QWRGUYRKSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ncccc1-c1nn[n-]n1 ZINC001574711766 949555631 /nfs/dbraw/zinc/55/56/31/949555631.db2.gz LSHGAMZUVCCCKI-WDEREUQCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ncccc1-c1nnn[n-]1 ZINC001574711766 949555618 /nfs/dbraw/zinc/55/56/18/949555618.db2.gz LSHGAMZUVCCCKI-WDEREUQCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574712013 949569232 /nfs/dbraw/zinc/56/92/32/949569232.db2.gz PPPFIZZQGZBCSC-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574712013 949569209 /nfs/dbraw/zinc/56/92/09/949569209.db2.gz PPPFIZZQGZBCSC-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574712014 949568122 /nfs/dbraw/zinc/56/81/22/949568122.db2.gz PPPFIZZQGZBCSC-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574712014 949568105 /nfs/dbraw/zinc/56/81/05/949568105.db2.gz PPPFIZZQGZBCSC-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574712015 949567654 /nfs/dbraw/zinc/56/76/54/949567654.db2.gz PPPFIZZQGZBCSC-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574712015 949567630 /nfs/dbraw/zinc/56/76/30/949567630.db2.gz PPPFIZZQGZBCSC-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574712016 949571113 /nfs/dbraw/zinc/57/11/13/949571113.db2.gz PPPFIZZQGZBCSC-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574712016 949571095 /nfs/dbraw/zinc/57/10/95/949571095.db2.gz PPPFIZZQGZBCSC-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574712726 949584165 /nfs/dbraw/zinc/58/41/65/949584165.db2.gz UALCRIDUXFGOLD-GZMMTYOYSA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574712726 949584148 /nfs/dbraw/zinc/58/41/48/949584148.db2.gz UALCRIDUXFGOLD-GZMMTYOYSA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574712727 949584545 /nfs/dbraw/zinc/58/45/45/949584545.db2.gz UALCRIDUXFGOLD-KCJUWKMLSA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574712727 949584524 /nfs/dbraw/zinc/58/45/24/949584524.db2.gz UALCRIDUXFGOLD-KCJUWKMLSA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574712728 949586752 /nfs/dbraw/zinc/58/67/52/949586752.db2.gz UALCRIDUXFGOLD-KWQFWETISA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CN(C)C(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574712728 949586745 /nfs/dbraw/zinc/58/67/45/949586745.db2.gz UALCRIDUXFGOLD-KWQFWETISA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574712729 949583256 /nfs/dbraw/zinc/58/32/56/949583256.db2.gz UALCRIDUXFGOLD-LDYMZIIASA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CN(C)C(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574712729 949583240 /nfs/dbraw/zinc/58/32/40/949583240.db2.gz UALCRIDUXFGOLD-LDYMZIIASA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574713089 949593372 /nfs/dbraw/zinc/59/33/72/949593372.db2.gz VWPKZBNTPKGGCL-MRVPVSSYSA-N -1 3 383.409 -0.296 20 0 GBADHM C[C@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574713089 949593359 /nfs/dbraw/zinc/59/33/59/949593359.db2.gz VWPKZBNTPKGGCL-MRVPVSSYSA-N -1 3 383.409 -0.296 20 0 GBADHM C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574713091 949594957 /nfs/dbraw/zinc/59/49/57/949594957.db2.gz VWPKZBNTPKGGCL-QMMMGPOBSA-N -1 3 383.409 -0.296 20 0 GBADHM C[C@@H](CN(C)C(=O)C1CS(=O)(=O)C1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574713091 949594947 /nfs/dbraw/zinc/59/49/47/949594947.db2.gz VWPKZBNTPKGGCL-QMMMGPOBSA-N -1 3 383.409 -0.296 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574713370 949601144 /nfs/dbraw/zinc/60/11/44/949601144.db2.gz XAAYFGGHOUNBSE-GHMZBOCLSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574713370 949601128 /nfs/dbraw/zinc/60/11/28/949601128.db2.gz XAAYFGGHOUNBSE-GHMZBOCLSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574713372 949601631 /nfs/dbraw/zinc/60/16/31/949601631.db2.gz XAAYFGGHOUNBSE-MNOVXSKESA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574713372 949601610 /nfs/dbraw/zinc/60/16/10/949601610.db2.gz XAAYFGGHOUNBSE-MNOVXSKESA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574713374 949599706 /nfs/dbraw/zinc/59/97/06/949599706.db2.gz XAAYFGGHOUNBSE-QWRGUYRKSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574713374 949599694 /nfs/dbraw/zinc/59/96/94/949599694.db2.gz XAAYFGGHOUNBSE-QWRGUYRKSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574713375 949597933 /nfs/dbraw/zinc/59/79/33/949597933.db2.gz XAAYFGGHOUNBSE-WDEREUQCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574713375 949597911 /nfs/dbraw/zinc/59/79/11/949597911.db2.gz XAAYFGGHOUNBSE-WDEREUQCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574713855 949614191 /nfs/dbraw/zinc/61/41/91/949614191.db2.gz YPFHTZXFTSCKED-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574713855 949614182 /nfs/dbraw/zinc/61/41/82/949614182.db2.gz YPFHTZXFTSCKED-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574713856 949613145 /nfs/dbraw/zinc/61/31/45/949613145.db2.gz YPFHTZXFTSCKED-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574713856 949613132 /nfs/dbraw/zinc/61/31/32/949613132.db2.gz YPFHTZXFTSCKED-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574713857 949613486 /nfs/dbraw/zinc/61/34/86/949613486.db2.gz YPFHTZXFTSCKED-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574713857 949613480 /nfs/dbraw/zinc/61/34/80/949613480.db2.gz YPFHTZXFTSCKED-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574713858 949613384 /nfs/dbraw/zinc/61/33/84/949613384.db2.gz YPFHTZXFTSCKED-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574713858 949613369 /nfs/dbraw/zinc/61/33/69/949613369.db2.gz YPFHTZXFTSCKED-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574713917 949619976 /nfs/dbraw/zinc/61/99/76/949619976.db2.gz ZLNLQWSDXWPOTE-CMPLNLGQSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574713917 949619965 /nfs/dbraw/zinc/61/99/65/949619965.db2.gz ZLNLQWSDXWPOTE-CMPLNLGQSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574713918 949619138 /nfs/dbraw/zinc/61/91/38/949619138.db2.gz ZLNLQWSDXWPOTE-JQWIXIFHSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574713918 949619124 /nfs/dbraw/zinc/61/91/24/949619124.db2.gz ZLNLQWSDXWPOTE-JQWIXIFHSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574713919 949617238 /nfs/dbraw/zinc/61/72/38/949617238.db2.gz ZLNLQWSDXWPOTE-PWSUYJOCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574713919 949617228 /nfs/dbraw/zinc/61/72/28/949617228.db2.gz ZLNLQWSDXWPOTE-PWSUYJOCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574713920 949618794 /nfs/dbraw/zinc/61/87/94/949618794.db2.gz ZLNLQWSDXWPOTE-ZYHUDNBSSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574713920 949618779 /nfs/dbraw/zinc/61/87/79/949618779.db2.gz ZLNLQWSDXWPOTE-ZYHUDNBSSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574713962 949620108 /nfs/dbraw/zinc/62/01/08/949620108.db2.gz ZSAPZIGFNXGHSE-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574713962 949620095 /nfs/dbraw/zinc/62/00/95/949620095.db2.gz ZSAPZIGFNXGHSE-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574713966 949620303 /nfs/dbraw/zinc/62/03/03/949620303.db2.gz ZSAPZIGFNXGHSE-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574713966 949620287 /nfs/dbraw/zinc/62/02/87/949620287.db2.gz ZSAPZIGFNXGHSE-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574713967 949617575 /nfs/dbraw/zinc/61/75/75/949617575.db2.gz ZSAPZIGFNXGHSE-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C(=O)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574713967 949617560 /nfs/dbraw/zinc/61/75/60/949617560.db2.gz ZSAPZIGFNXGHSE-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574713968 949617033 /nfs/dbraw/zinc/61/70/33/949617033.db2.gz ZSAPZIGFNXGHSE-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574713968 949617017 /nfs/dbraw/zinc/61/70/17/949617017.db2.gz ZSAPZIGFNXGHSE-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM 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C[C@@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574714531 949627948 /nfs/dbraw/zinc/62/79/48/949627948.db2.gz FARZBAQFZORBRA-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574714787 949634705 /nfs/dbraw/zinc/63/47/05/949634705.db2.gz FWMGAQXNJUXJCX-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574714787 949634695 /nfs/dbraw/zinc/63/46/95/949634695.db2.gz FWMGAQXNJUXJCX-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574714788 949634575 /nfs/dbraw/zinc/63/45/75/949634575.db2.gz FWMGAQXNJUXJCX-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574714788 949634562 /nfs/dbraw/zinc/63/45/62/949634562.db2.gz FWMGAQXNJUXJCX-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574714789 949632341 /nfs/dbraw/zinc/63/23/41/949632341.db2.gz FWMGAQXNJUXJCX-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574714789 949632332 /nfs/dbraw/zinc/63/23/32/949632332.db2.gz FWMGAQXNJUXJCX-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574714790 949632267 /nfs/dbraw/zinc/63/22/67/949632267.db2.gz FWMGAQXNJUXJCX-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574714790 949632256 /nfs/dbraw/zinc/63/22/56/949632256.db2.gz FWMGAQXNJUXJCX-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574715410 949650916 /nfs/dbraw/zinc/65/09/16/949650916.db2.gz CCPRWYQUQGASSY-JTQLQIEISA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574715410 949650904 /nfs/dbraw/zinc/65/09/04/949650904.db2.gz CCPRWYQUQGASSY-JTQLQIEISA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574715411 949652715 /nfs/dbraw/zinc/65/27/15/949652715.db2.gz CCPRWYQUQGASSY-SNVBAGLBSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574715411 949652705 /nfs/dbraw/zinc/65/27/05/949652705.db2.gz CCPRWYQUQGASSY-SNVBAGLBSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574715802 949669817 /nfs/dbraw/zinc/66/98/17/949669817.db2.gz KNRUONGKPLDKEM-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574715802 949669804 /nfs/dbraw/zinc/66/98/04/949669804.db2.gz KNRUONGKPLDKEM-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574715803 949670893 /nfs/dbraw/zinc/67/08/93/949670893.db2.gz KNRUONGKPLDKEM-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574715803 949670878 /nfs/dbraw/zinc/67/08/78/949670878.db2.gz KNRUONGKPLDKEM-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574715804 949668903 /nfs/dbraw/zinc/66/89/03/949668903.db2.gz KNRUONGKPLDKEM-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574715804 949668889 /nfs/dbraw/zinc/66/88/89/949668889.db2.gz KNRUONGKPLDKEM-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574715805 949670366 /nfs/dbraw/zinc/67/03/66/949670366.db2.gz KNRUONGKPLDKEM-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574715805 949670348 /nfs/dbraw/zinc/67/03/48/949670348.db2.gz KNRUONGKPLDKEM-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574715999 949674637 /nfs/dbraw/zinc/67/46/37/949674637.db2.gz GWUILOCZVNCDPT-NXEZZACHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574715999 949674623 /nfs/dbraw/zinc/67/46/23/949674623.db2.gz GWUILOCZVNCDPT-NXEZZACHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716001 949675770 /nfs/dbraw/zinc/67/57/70/949675770.db2.gz GWUILOCZVNCDPT-UWVGGRQHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716001 949675755 /nfs/dbraw/zinc/67/57/55/949675755.db2.gz GWUILOCZVNCDPT-UWVGGRQHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716002 949676210 /nfs/dbraw/zinc/67/62/10/949676210.db2.gz GWUILOCZVNCDPT-VHSXEESVSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716002 949676200 /nfs/dbraw/zinc/67/62/00/949676200.db2.gz GWUILOCZVNCDPT-VHSXEESVSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716004 949672640 /nfs/dbraw/zinc/67/26/40/949672640.db2.gz GWUILOCZVNCDPT-ZJUUUORDSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716004 949672625 /nfs/dbraw/zinc/67/26/25/949672625.db2.gz GWUILOCZVNCDPT-ZJUUUORDSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574716298 949683428 /nfs/dbraw/zinc/68/34/28/949683428.db2.gz IVKKCDBHBDJIDX-JTQLQIEISA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574716298 949683414 /nfs/dbraw/zinc/68/34/14/949683414.db2.gz IVKKCDBHBDJIDX-JTQLQIEISA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574716299 949684237 /nfs/dbraw/zinc/68/42/37/949684237.db2.gz IVKKCDBHBDJIDX-SNVBAGLBSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CN(C)C(=O)CC1CS(=O)(=O)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574716299 949684220 /nfs/dbraw/zinc/68/42/20/949684220.db2.gz IVKKCDBHBDJIDX-SNVBAGLBSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716448 949691981 /nfs/dbraw/zinc/69/19/81/949691981.db2.gz ORQJDKCIJVBYNC-CMPLNLGQSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716448 949691972 /nfs/dbraw/zinc/69/19/72/949691972.db2.gz ORQJDKCIJVBYNC-CMPLNLGQSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716449 949694799 /nfs/dbraw/zinc/69/47/99/949694799.db2.gz ORQJDKCIJVBYNC-JQWIXIFHSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716449 949694778 /nfs/dbraw/zinc/69/47/78/949694778.db2.gz ORQJDKCIJVBYNC-JQWIXIFHSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716450 949693101 /nfs/dbraw/zinc/69/31/01/949693101.db2.gz ORQJDKCIJVBYNC-PWSUYJOCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716450 949693085 /nfs/dbraw/zinc/69/30/85/949693085.db2.gz ORQJDKCIJVBYNC-PWSUYJOCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716451 949692144 /nfs/dbraw/zinc/69/21/44/949692144.db2.gz ORQJDKCIJVBYNC-ZYHUDNBSSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716451 949692124 /nfs/dbraw/zinc/69/21/24/949692124.db2.gz ORQJDKCIJVBYNC-ZYHUDNBSSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCCC(N)=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716576 949696985 /nfs/dbraw/zinc/69/69/85/949696985.db2.gz KOILBQXNFQVKOR-JTQLQIEISA-N -1 3 376.421 -0.183 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCCC(N)=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716576 949696969 /nfs/dbraw/zinc/69/69/69/949696969.db2.gz KOILBQXNFQVKOR-JTQLQIEISA-N -1 3 376.421 -0.183 20 0 GBADHM C[C@H](CN(C)C(=O)CCCCC(N)=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574716577 949699168 /nfs/dbraw/zinc/69/91/68/949699168.db2.gz KOILBQXNFQVKOR-SNVBAGLBSA-N -1 3 376.421 -0.183 20 0 GBADHM C[C@H](CN(C)C(=O)CCCCC(N)=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574716577 949699147 /nfs/dbraw/zinc/69/91/47/949699147.db2.gz KOILBQXNFQVKOR-SNVBAGLBSA-N -1 3 376.421 -0.183 20 0 GBADHM C[C@@H](CN(C)C(=O)CC1OCCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716710 949702535 /nfs/dbraw/zinc/70/25/35/949702535.db2.gz LERCNKKUNQPZAF-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@@H](CN(C)C(=O)CC1OCCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716710 949702517 /nfs/dbraw/zinc/70/25/17/949702517.db2.gz LERCNKKUNQPZAF-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)CC1OCCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716712 949702080 /nfs/dbraw/zinc/70/20/80/949702080.db2.gz LERCNKKUNQPZAF-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)CC1OCCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716712 949702061 /nfs/dbraw/zinc/70/20/61/949702061.db2.gz LERCNKKUNQPZAF-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716773 949708236 /nfs/dbraw/zinc/70/82/36/949708236.db2.gz QKPSSLJOVMRBNI-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716773 949708223 /nfs/dbraw/zinc/70/82/23/949708223.db2.gz QKPSSLJOVMRBNI-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716777 949709279 /nfs/dbraw/zinc/70/92/79/949709279.db2.gz QKPSSLJOVMRBNI-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716777 949709265 /nfs/dbraw/zinc/70/92/65/949709265.db2.gz QKPSSLJOVMRBNI-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716779 949706504 /nfs/dbraw/zinc/70/65/04/949706504.db2.gz QKPSSLJOVMRBNI-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716779 949706486 /nfs/dbraw/zinc/70/64/86/949706486.db2.gz QKPSSLJOVMRBNI-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716781 949706701 /nfs/dbraw/zinc/70/67/01/949706701.db2.gz QKPSSLJOVMRBNI-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716781 949706677 /nfs/dbraw/zinc/70/66/77/949706677.db2.gz QKPSSLJOVMRBNI-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716876 949715392 /nfs/dbraw/zinc/71/53/92/949715392.db2.gz ROHRKUJAGPMSNJ-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716876 949715366 /nfs/dbraw/zinc/71/53/66/949715366.db2.gz ROHRKUJAGPMSNJ-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716878 949712866 /nfs/dbraw/zinc/71/28/66/949712866.db2.gz ROHRKUJAGPMSNJ-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716878 949712849 /nfs/dbraw/zinc/71/28/49/949712849.db2.gz ROHRKUJAGPMSNJ-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716880 949711800 /nfs/dbraw/zinc/71/18/00/949711800.db2.gz ROHRKUJAGPMSNJ-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716880 949711779 /nfs/dbraw/zinc/71/17/79/949711779.db2.gz ROHRKUJAGPMSNJ-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574716882 949712909 /nfs/dbraw/zinc/71/29/09/949712909.db2.gz ROHRKUJAGPMSNJ-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574716882 949712896 /nfs/dbraw/zinc/71/28/96/949712896.db2.gz ROHRKUJAGPMSNJ-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)CC1OCCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716883 949714978 /nfs/dbraw/zinc/71/49/78/949714978.db2.gz MHKLUXCEPCVCNB-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@@H](CN(C)C(=O)CC1OCCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716883 949714959 /nfs/dbraw/zinc/71/49/59/949714959.db2.gz MHKLUXCEPCVCNB-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)CC1OCCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574716884 949712108 /nfs/dbraw/zinc/71/21/08/949712108.db2.gz MHKLUXCEPCVCNB-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)CC1OCCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574716884 949712088 /nfs/dbraw/zinc/71/20/88/949712088.db2.gz MHKLUXCEPCVCNB-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574717019 949725367 /nfs/dbraw/zinc/72/53/67/949725367.db2.gz SFMIAHPMTSBVFM-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574717019 949725348 /nfs/dbraw/zinc/72/53/48/949725348.db2.gz SFMIAHPMTSBVFM-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574717020 949724548 /nfs/dbraw/zinc/72/45/48/949724548.db2.gz SFMIAHPMTSBVFM-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574717020 949724533 /nfs/dbraw/zinc/72/45/33/949724533.db2.gz SFMIAHPMTSBVFM-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574717021 949721734 /nfs/dbraw/zinc/72/17/34/949721734.db2.gz SFMIAHPMTSBVFM-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCN(C)C1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574717021 949721714 /nfs/dbraw/zinc/72/17/14/949721714.db2.gz SFMIAHPMTSBVFM-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574717022 949721495 /nfs/dbraw/zinc/72/14/95/949721495.db2.gz SFMIAHPMTSBVFM-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCN(C)C1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574717022 949721482 /nfs/dbraw/zinc/72/14/82/949721482.db2.gz SFMIAHPMTSBVFM-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574717736 949743776 /nfs/dbraw/zinc/74/37/76/949743776.db2.gz WXAATZZMKQQSSJ-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574717736 949743764 /nfs/dbraw/zinc/74/37/64/949743764.db2.gz WXAATZZMKQQSSJ-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574717737 949744223 /nfs/dbraw/zinc/74/42/23/949744223.db2.gz WXAATZZMKQQSSJ-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574717737 949744206 /nfs/dbraw/zinc/74/42/06/949744206.db2.gz WXAATZZMKQQSSJ-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574717738 949744491 /nfs/dbraw/zinc/74/44/91/949744491.db2.gz WXAATZZMKQQSSJ-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574717738 949744479 /nfs/dbraw/zinc/74/44/79/949744479.db2.gz WXAATZZMKQQSSJ-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574717739 949743872 /nfs/dbraw/zinc/74/38/72/949743872.db2.gz WXAATZZMKQQSSJ-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574717739 949743857 /nfs/dbraw/zinc/74/38/57/949743857.db2.gz WXAATZZMKQQSSJ-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CN(C)C(=O)CC1OCCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574717777 949747688 /nfs/dbraw/zinc/74/76/88/949747688.db2.gz PSHWEGVYYGLLOZ-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@@H](CN(C)C(=O)CC1OCCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574717777 949747664 /nfs/dbraw/zinc/74/76/64/949747664.db2.gz PSHWEGVYYGLLOZ-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)CC1OCCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574717779 949749093 /nfs/dbraw/zinc/74/90/93/949749093.db2.gz PSHWEGVYYGLLOZ-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)CC1OCCCO1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574717779 949749079 /nfs/dbraw/zinc/74/90/79/949749079.db2.gz PSHWEGVYYGLLOZ-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574718121 949764026 /nfs/dbraw/zinc/76/40/26/949764026.db2.gz SKYDKJXFUZGGTH-NXEZZACHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574718121 949764007 /nfs/dbraw/zinc/76/40/07/949764007.db2.gz SKYDKJXFUZGGTH-NXEZZACHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574718122 949763569 /nfs/dbraw/zinc/76/35/69/949763569.db2.gz SKYDKJXFUZGGTH-UWVGGRQHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574718122 949763552 /nfs/dbraw/zinc/76/35/52/949763552.db2.gz SKYDKJXFUZGGTH-UWVGGRQHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574718123 949763451 /nfs/dbraw/zinc/76/34/51/949763451.db2.gz SKYDKJXFUZGGTH-VHSXEESVSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574718123 949763436 /nfs/dbraw/zinc/76/34/36/949763436.db2.gz SKYDKJXFUZGGTH-VHSXEESVSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574718125 949763929 /nfs/dbraw/zinc/76/39/29/949763929.db2.gz SKYDKJXFUZGGTH-ZJUUUORDSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574718125 949763912 /nfs/dbraw/zinc/76/39/12/949763912.db2.gz SKYDKJXFUZGGTH-ZJUUUORDSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574720474 949791350 /nfs/dbraw/zinc/79/13/50/949791350.db2.gz AGFXSVHNIJBRDA-GFCCVEGCSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574720474 949791341 /nfs/dbraw/zinc/79/13/41/949791341.db2.gz AGFXSVHNIJBRDA-GFCCVEGCSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574720475 949789545 /nfs/dbraw/zinc/78/95/45/949789545.db2.gz AGFXSVHNIJBRDA-LBPRGKRZSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574720475 949789528 /nfs/dbraw/zinc/78/95/28/949789528.db2.gz AGFXSVHNIJBRDA-LBPRGKRZSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCOCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574720542 949794360 /nfs/dbraw/zinc/79/43/60/949794360.db2.gz CCRNUDLJRJKNBA-GFCCVEGCSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574720542 949794346 /nfs/dbraw/zinc/79/43/46/949794346.db2.gz CCRNUDLJRJKNBA-GFCCVEGCSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCOCC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574720543 949796600 /nfs/dbraw/zinc/79/66/00/949796600.db2.gz CCRNUDLJRJKNBA-LBPRGKRZSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCOCC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574720543 949796583 /nfs/dbraw/zinc/79/65/83/949796583.db2.gz CCRNUDLJRJKNBA-LBPRGKRZSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CN(C)C(=O)CCNS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574720550 949794677 /nfs/dbraw/zinc/79/46/77/949794677.db2.gz CHPIVPGLDKSLRX-JTQLQIEISA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@@H](CN(C)C(=O)CCNS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574720550 949794664 /nfs/dbraw/zinc/79/46/64/949794664.db2.gz CHPIVPGLDKSLRX-JTQLQIEISA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CN(C)C(=O)CCNS(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574720551 949796414 /nfs/dbraw/zinc/79/64/14/949796414.db2.gz CHPIVPGLDKSLRX-SNVBAGLBSA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CN(C)C(=O)CCNS(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574720551 949796402 /nfs/dbraw/zinc/79/64/02/949796402.db2.gz CHPIVPGLDKSLRX-SNVBAGLBSA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCOCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574720598 949796756 /nfs/dbraw/zinc/79/67/56/949796756.db2.gz DLSHXOGDCPGAQQ-GFCCVEGCSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574720598 949796741 /nfs/dbraw/zinc/79/67/41/949796741.db2.gz DLSHXOGDCPGAQQ-GFCCVEGCSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCOCC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574720599 949794942 /nfs/dbraw/zinc/79/49/42/949794942.db2.gz DLSHXOGDCPGAQQ-LBPRGKRZSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCOCC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574720599 949794929 /nfs/dbraw/zinc/79/49/29/949794929.db2.gz DLSHXOGDCPGAQQ-LBPRGKRZSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCOCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574720656 949798925 /nfs/dbraw/zinc/79/89/25/949798925.db2.gz FPVLTSTUTKZZPE-GFCCVEGCSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574720656 949798912 /nfs/dbraw/zinc/79/89/12/949798912.db2.gz FPVLTSTUTKZZPE-GFCCVEGCSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCOCC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574720657 949798591 /nfs/dbraw/zinc/79/85/91/949798591.db2.gz FPVLTSTUTKZZPE-LBPRGKRZSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCOCC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574720657 949798573 /nfs/dbraw/zinc/79/85/73/949798573.db2.gz FPVLTSTUTKZZPE-LBPRGKRZSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCS(N)(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574721099 949808873 /nfs/dbraw/zinc/80/88/73/949808873.db2.gz JDOIDPZLBKQHKP-JTQLQIEISA-N -1 3 382.450 -0.411 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCS(N)(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574721099 949808847 /nfs/dbraw/zinc/80/88/47/949808847.db2.gz JDOIDPZLBKQHKP-JTQLQIEISA-N -1 3 382.450 -0.411 20 0 GBADHM C[C@H](CN(C)C(=O)CCCS(N)(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574721101 949811097 /nfs/dbraw/zinc/81/10/97/949811097.db2.gz JDOIDPZLBKQHKP-SNVBAGLBSA-N -1 3 382.450 -0.411 20 0 GBADHM C[C@H](CN(C)C(=O)CCCS(N)(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574721101 949811079 /nfs/dbraw/zinc/81/10/79/949811079.db2.gz JDOIDPZLBKQHKP-SNVBAGLBSA-N -1 3 382.450 -0.411 20 0 GBADHM C[C@H](CN(C)C(=O)CCCn1cncn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574721215 949813633 /nfs/dbraw/zinc/81/36/33/949813633.db2.gz LCEVMWXNPZQCDO-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CN(C)C(=O)CCCn1cncn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574721215 949813602 /nfs/dbraw/zinc/81/36/02/949813602.db2.gz LCEVMWXNPZQCDO-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCn1cncn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574721216 949816474 /nfs/dbraw/zinc/81/64/74/949816474.db2.gz LCEVMWXNPZQCDO-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCn1cncn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574721216 949816453 /nfs/dbraw/zinc/81/64/53/949816453.db2.gz LCEVMWXNPZQCDO-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)CCNS(C)(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574721439 949815968 /nfs/dbraw/zinc/81/59/68/949815968.db2.gz LLZSIRXLUXJOMH-JTQLQIEISA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@@H](CN(C)C(=O)CCNS(C)(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574721439 949815948 /nfs/dbraw/zinc/81/59/48/949815948.db2.gz LLZSIRXLUXJOMH-JTQLQIEISA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CN(C)C(=O)CCNS(C)(=O)=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574721440 949817171 /nfs/dbraw/zinc/81/71/71/949817171.db2.gz LLZSIRXLUXJOMH-SNVBAGLBSA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CN(C)C(=O)CCNS(C)(=O)=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574721440 949817152 /nfs/dbraw/zinc/81/71/52/949817152.db2.gz LLZSIRXLUXJOMH-SNVBAGLBSA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CN(C)C(=O)CCCn1cncn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574721736 949818764 /nfs/dbraw/zinc/81/87/64/949818764.db2.gz NEXMIYXXXCPAQC-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CN(C)C(=O)CCCn1cncn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574721736 949818742 /nfs/dbraw/zinc/81/87/42/949818742.db2.gz NEXMIYXXXCPAQC-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCn1cncn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574721740 949822988 /nfs/dbraw/zinc/82/29/88/949822988.db2.gz NEXMIYXXXCPAQC-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCn1cncn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574721740 949822968 /nfs/dbraw/zinc/82/29/68/949822968.db2.gz NEXMIYXXXCPAQC-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCS(N)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574721748 949818835 /nfs/dbraw/zinc/81/88/35/949818835.db2.gz NEYDOJIROHPPQS-JTQLQIEISA-N -1 3 382.450 -0.411 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCS(N)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574721748 949818812 /nfs/dbraw/zinc/81/88/12/949818812.db2.gz NEYDOJIROHPPQS-JTQLQIEISA-N -1 3 382.450 -0.411 20 0 GBADHM C[C@H](CN(C)C(=O)CCCS(N)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574721749 949823264 /nfs/dbraw/zinc/82/32/64/949823264.db2.gz NEYDOJIROHPPQS-SNVBAGLBSA-N -1 3 382.450 -0.411 20 0 GBADHM C[C@H](CN(C)C(=O)CCCS(N)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574721749 949823239 /nfs/dbraw/zinc/82/32/39/949823239.db2.gz NEYDOJIROHPPQS-SNVBAGLBSA-N -1 3 382.450 -0.411 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCS(N)(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574721897 949827862 /nfs/dbraw/zinc/82/78/62/949827862.db2.gz OYTCAIGHTKQVSH-JTQLQIEISA-N -1 3 382.450 -0.411 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCS(N)(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574721897 949827835 /nfs/dbraw/zinc/82/78/35/949827835.db2.gz OYTCAIGHTKQVSH-JTQLQIEISA-N -1 3 382.450 -0.411 20 0 GBADHM C[C@H](CN(C)C(=O)CCCS(N)(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574721898 949825239 /nfs/dbraw/zinc/82/52/39/949825239.db2.gz OYTCAIGHTKQVSH-SNVBAGLBSA-N -1 3 382.450 -0.411 20 0 GBADHM C[C@H](CN(C)C(=O)CCCS(N)(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574721898 949825230 /nfs/dbraw/zinc/82/52/30/949825230.db2.gz OYTCAIGHTKQVSH-SNVBAGLBSA-N -1 3 382.450 -0.411 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCCC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574721901 949828389 /nfs/dbraw/zinc/82/83/89/949828389.db2.gz PDLIIAFTNHHBFV-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCCC1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574721901 949828371 /nfs/dbraw/zinc/82/83/71/949828371.db2.gz PDLIIAFTNHHBFV-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCCC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574721902 949828454 /nfs/dbraw/zinc/82/84/54/949828454.db2.gz PDLIIAFTNHHBFV-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCCC1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574721902 949828437 /nfs/dbraw/zinc/82/84/37/949828437.db2.gz PDLIIAFTNHHBFV-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574721913 949826081 /nfs/dbraw/zinc/82/60/81/949826081.db2.gz PITMAMWFFYJJGF-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574721913 949826062 /nfs/dbraw/zinc/82/60/62/949826062.db2.gz PITMAMWFFYJJGF-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574721914 949828760 /nfs/dbraw/zinc/82/87/60/949828760.db2.gz PITMAMWFFYJJGF-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574721914 949828732 /nfs/dbraw/zinc/82/87/32/949828732.db2.gz PITMAMWFFYJJGF-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)CCS(C)(=O)=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574722146 949831366 /nfs/dbraw/zinc/83/13/66/949831366.db2.gz QBVZHUREFRKDAR-SECBINFHSA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@H](CN(C)C(=O)CCS(C)(=O)=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574722146 949831356 /nfs/dbraw/zinc/83/13/56/949831356.db2.gz QBVZHUREFRKDAR-SECBINFHSA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574722147 949831594 /nfs/dbraw/zinc/83/15/94/949831594.db2.gz QBVZHUREFRKDAR-VIFPVBQESA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574722147 949831572 /nfs/dbraw/zinc/83/15/72/949831572.db2.gz QBVZHUREFRKDAR-VIFPVBQESA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@H](CN(C)C(=O)CCS(C)(=O)=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574722163 949829372 /nfs/dbraw/zinc/82/93/72/949829372.db2.gz QLIWTWRZYDSATP-SECBINFHSA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@H](CN(C)C(=O)CCS(C)(=O)=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574722163 949829352 /nfs/dbraw/zinc/82/93/52/949829352.db2.gz QLIWTWRZYDSATP-SECBINFHSA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574722164 949833517 /nfs/dbraw/zinc/83/35/17/949833517.db2.gz QLIWTWRZYDSATP-VIFPVBQESA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574722164 949833499 /nfs/dbraw/zinc/83/34/99/949833499.db2.gz QLIWTWRZYDSATP-VIFPVBQESA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574722961 949850538 /nfs/dbraw/zinc/85/05/38/949850538.db2.gz YTSGIZRZFFOEAW-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)CCN1CCCC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574722961 949850514 /nfs/dbraw/zinc/85/05/14/949850514.db2.gz YTSGIZRZFFOEAW-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574722963 949851464 /nfs/dbraw/zinc/85/14/64/949851464.db2.gz YTSGIZRZFFOEAW-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)CCN1CCCC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574722963 949851445 /nfs/dbraw/zinc/85/14/45/949851445.db2.gz YTSGIZRZFFOEAW-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)CCCn1cncn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574723000 949850016 /nfs/dbraw/zinc/85/00/16/949850016.db2.gz ZJBSZJGFBQVOCN-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CN(C)C(=O)CCCn1cncn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574723000 949849990 /nfs/dbraw/zinc/84/99/90/949849990.db2.gz ZJBSZJGFBQVOCN-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCn1cncn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574723002 949852482 /nfs/dbraw/zinc/85/24/82/949852482.db2.gz ZJBSZJGFBQVOCN-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)CCCn1cncn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574723002 949852468 /nfs/dbraw/zinc/85/24/68/949852468.db2.gz ZJBSZJGFBQVOCN-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CN(C)C(=O)CCn1cnnn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574723654 949857606 /nfs/dbraw/zinc/85/76/06/949857606.db2.gz ASJZHEZYLDTATJ-SECBINFHSA-N -1 3 375.372 -0.264 20 0 GBADHM C[C@H](CN(C)C(=O)CCn1cnnn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574723654 949857582 /nfs/dbraw/zinc/85/75/82/949857582.db2.gz ASJZHEZYLDTATJ-SECBINFHSA-N -1 3 375.372 -0.264 20 0 GBADHM C[C@@H](CN(C)C(=O)CCn1cnnn1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574723655 949857256 /nfs/dbraw/zinc/85/72/56/949857256.db2.gz ASJZHEZYLDTATJ-VIFPVBQESA-N -1 3 375.372 -0.264 20 0 GBADHM C[C@@H](CN(C)C(=O)CCn1cnnn1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574723655 949857245 /nfs/dbraw/zinc/85/72/45/949857245.db2.gz ASJZHEZYLDTATJ-VIFPVBQESA-N -1 3 375.372 -0.264 20 0 GBADHM C[C@@H](CN(C)C(=O)CN(C)S(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574723684 949855640 /nfs/dbraw/zinc/85/56/40/949855640.db2.gz BNXYSNPAEMMBOA-JTQLQIEISA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@@H](CN(C)C(=O)CN(C)S(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574723684 949855621 /nfs/dbraw/zinc/85/56/21/949855621.db2.gz BNXYSNPAEMMBOA-JTQLQIEISA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@H](CN(C)C(=O)CN(C)S(C)(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574723685 949856547 /nfs/dbraw/zinc/85/65/47/949856547.db2.gz BNXYSNPAEMMBOA-SNVBAGLBSA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@H](CN(C)C(=O)CN(C)S(C)(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574723685 949856534 /nfs/dbraw/zinc/85/65/34/949856534.db2.gz BNXYSNPAEMMBOA-SNVBAGLBSA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@@H](CN(C)C(=O)CN1CC(=O)N(C)C1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574723946 949863251 /nfs/dbraw/zinc/86/32/51/949863251.db2.gz CGBZLUHXLCMAMR-JTQLQIEISA-N -1 3 387.404 -0.586 20 0 GBADHM C[C@@H](CN(C)C(=O)CN1CC(=O)N(C)C1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574723946 949863232 /nfs/dbraw/zinc/86/32/32/949863232.db2.gz CGBZLUHXLCMAMR-JTQLQIEISA-N -1 3 387.404 -0.586 20 0 GBADHM C[C@H](CN(C)C(=O)CN1CC(=O)N(C)C1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574723947 949861812 /nfs/dbraw/zinc/86/18/12/949861812.db2.gz CGBZLUHXLCMAMR-SNVBAGLBSA-N -1 3 387.404 -0.586 20 0 GBADHM C[C@H](CN(C)C(=O)CN1CC(=O)N(C)C1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574723947 949861786 /nfs/dbraw/zinc/86/17/86/949861786.db2.gz CGBZLUHXLCMAMR-SNVBAGLBSA-N -1 3 387.404 -0.586 20 0 GBADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574724594 949871895 /nfs/dbraw/zinc/87/18/95/949871895.db2.gz IEDAWXLYWPJQMP-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574724594 949871888 /nfs/dbraw/zinc/87/18/88/949871888.db2.gz IEDAWXLYWPJQMP-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)CCc1cnn(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574724596 949869320 /nfs/dbraw/zinc/86/93/20/949869320.db2.gz IEDAWXLYWPJQMP-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)CCc1cnn(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574724596 949869298 /nfs/dbraw/zinc/86/92/98/949869298.db2.gz IEDAWXLYWPJQMP-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)CCn1ncn(C)c1=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574724708 949877320 /nfs/dbraw/zinc/87/73/20/949877320.db2.gz JTHKXEBMYXXVLO-LLVKDONJSA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@H](CN(C)C(=O)CCn1ncn(C)c1=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574724708 949877298 /nfs/dbraw/zinc/87/72/98/949877298.db2.gz JTHKXEBMYXXVLO-LLVKDONJSA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CN(C)C(=O)CCn1ncn(C)c1=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574724709 949876678 /nfs/dbraw/zinc/87/66/78/949876678.db2.gz JTHKXEBMYXXVLO-NSHDSACASA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CN(C)C(=O)CCn1ncn(C)c1=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574724709 949876656 /nfs/dbraw/zinc/87/66/56/949876656.db2.gz JTHKXEBMYXXVLO-NSHDSACASA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@H](CN(C)C(=O)CCn1ncn(C)c1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574724855 949883847 /nfs/dbraw/zinc/88/38/47/949883847.db2.gz KQCVPZDPBFVREG-LLVKDONJSA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@H](CN(C)C(=O)CCn1ncn(C)c1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574724855 949883824 /nfs/dbraw/zinc/88/38/24/949883824.db2.gz KQCVPZDPBFVREG-LLVKDONJSA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CN(C)C(=O)CCn1ncn(C)c1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574724856 949882511 /nfs/dbraw/zinc/88/25/11/949882511.db2.gz KQCVPZDPBFVREG-NSHDSACASA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CN(C)C(=O)CCn1ncn(C)c1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574724856 949882482 /nfs/dbraw/zinc/88/24/82/949882482.db2.gz KQCVPZDPBFVREG-NSHDSACASA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574725239 949892788 /nfs/dbraw/zinc/89/27/88/949892788.db2.gz QFCXSFOJOSYSFB-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574725239 949892769 /nfs/dbraw/zinc/89/27/69/949892769.db2.gz QFCXSFOJOSYSFB-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)CCc1cn(C)nn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574725240 949892537 /nfs/dbraw/zinc/89/25/37/949892537.db2.gz QFCXSFOJOSYSFB-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)CCc1cn(C)nn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574725240 949892502 /nfs/dbraw/zinc/89/25/02/949892502.db2.gz QFCXSFOJOSYSFB-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574725309 949896658 /nfs/dbraw/zinc/89/66/58/949896658.db2.gz RLLQEVBYHTZHSL-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574725309 949896636 /nfs/dbraw/zinc/89/66/36/949896636.db2.gz RLLQEVBYHTZHSL-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)CCc1cnn(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574725310 949898404 /nfs/dbraw/zinc/89/84/04/949898404.db2.gz RLLQEVBYHTZHSL-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)CCc1cnn(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574725310 949898389 /nfs/dbraw/zinc/89/83/89/949898389.db2.gz RLLQEVBYHTZHSL-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574725344 949900462 /nfs/dbraw/zinc/90/04/62/949900462.db2.gz SDNIHSSNMWAQJF-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574725344 949900450 /nfs/dbraw/zinc/90/04/50/949900450.db2.gz SDNIHSSNMWAQJF-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)CCc1cn(C)nn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574725345 949897216 /nfs/dbraw/zinc/89/72/16/949897216.db2.gz SDNIHSSNMWAQJF-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)CCc1cn(C)nn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574725345 949897195 /nfs/dbraw/zinc/89/71/95/949897195.db2.gz SDNIHSSNMWAQJF-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574725610 949906307 /nfs/dbraw/zinc/90/63/07/949906307.db2.gz TXCDLZPIJXAAHQ-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574725610 949906297 /nfs/dbraw/zinc/90/62/97/949906297.db2.gz TXCDLZPIJXAAHQ-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)CCc1cnn(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574725611 949904194 /nfs/dbraw/zinc/90/41/94/949904194.db2.gz TXCDLZPIJXAAHQ-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)CCc1cnn(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574725611 949904177 /nfs/dbraw/zinc/90/41/77/949904177.db2.gz TXCDLZPIJXAAHQ-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574725660 949903977 /nfs/dbraw/zinc/90/39/77/949903977.db2.gz AATQBFXFRAJJDJ-GHMZBOCLSA-N -1 3 377.405 -0.423 20 0 GBADHM 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/nfs/dbraw/zinc/97/60/65/949976065.db2.gz WVYVRHHGSVTWMD-RYUDHWBXSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574727653 949973918 /nfs/dbraw/zinc/97/39/18/949973918.db2.gz WVYVRHHGSVTWMD-VXGBXAGGSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574727653 949973899 /nfs/dbraw/zinc/97/38/99/949973899.db2.gz WVYVRHHGSVTWMD-VXGBXAGGSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574727666 949973790 /nfs/dbraw/zinc/97/37/90/949973790.db2.gz XBFSJFFXLZQHPV-GFCCVEGCSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574727666 949973769 /nfs/dbraw/zinc/97/37/69/949973769.db2.gz XBFSJFFXLZQHPV-GFCCVEGCSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574727667 949974386 /nfs/dbraw/zinc/97/43/86/949974386.db2.gz XBFSJFFXLZQHPV-LBPRGKRZSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574727667 949974374 /nfs/dbraw/zinc/97/43/74/949974374.db2.gz XBFSJFFXLZQHPV-LBPRGKRZSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727678 949981926 /nfs/dbraw/zinc/98/19/26/949981926.db2.gz XEKNISXMIMYNAH-GFCCVEGCSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727678 949981916 /nfs/dbraw/zinc/98/19/16/949981916.db2.gz XEKNISXMIMYNAH-GFCCVEGCSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727679 949979960 /nfs/dbraw/zinc/97/99/60/949979960.db2.gz XEKNISXMIMYNAH-LBPRGKRZSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@@H](CN(C)C(=O)CN1CCN(C)C(=O)C1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727679 949979947 /nfs/dbraw/zinc/97/99/47/949979947.db2.gz XEKNISXMIMYNAH-LBPRGKRZSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@H](CN(C)C(=O)COCc1nncn1C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727736 949978150 /nfs/dbraw/zinc/97/81/50/949978150.db2.gz YRZGQQYMUJQGMT-LLVKDONJSA-N -1 3 386.420 -0.134 20 0 GBADHM C[C@H](CN(C)C(=O)COCc1nncn1C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727736 949978133 /nfs/dbraw/zinc/97/81/33/949978133.db2.gz YRZGQQYMUJQGMT-LLVKDONJSA-N -1 3 386.420 -0.134 20 0 GBADHM C[C@@H](CN(C)C(=O)COCc1nncn1C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574727737 949978278 /nfs/dbraw/zinc/97/82/78/949978278.db2.gz YRZGQQYMUJQGMT-NSHDSACASA-N -1 3 386.420 -0.134 20 0 GBADHM C[C@@H](CN(C)C(=O)COCc1nncn1C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574727737 949978256 /nfs/dbraw/zinc/97/82/56/949978256.db2.gz YRZGQQYMUJQGMT-NSHDSACASA-N -1 3 386.420 -0.134 20 0 GBADHM C[C@H](CN(C)C(=O)COCc1nncn1C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574727742 949978859 /nfs/dbraw/zinc/97/88/59/949978859.db2.gz YTIMSXIDXDLCOH-LLVKDONJSA-N -1 3 386.420 -0.134 20 0 GBADHM C[C@H](CN(C)C(=O)COCc1nncn1C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574727742 949978838 /nfs/dbraw/zinc/97/88/38/949978838.db2.gz YTIMSXIDXDLCOH-LLVKDONJSA-N -1 3 386.420 -0.134 20 0 GBADHM C[C@@H](CN(C)C(=O)COCc1nncn1C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574727743 949978215 /nfs/dbraw/zinc/97/82/15/949978215.db2.gz YTIMSXIDXDLCOH-NSHDSACASA-N -1 3 386.420 -0.134 20 0 GBADHM C[C@@H](CN(C)C(=O)COCc1nncn1C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574727743 949978193 /nfs/dbraw/zinc/97/81/93/949978193.db2.gz YTIMSXIDXDLCOH-NSHDSACASA-N -1 3 386.420 -0.134 20 0 GBADHM C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574727760 949985646 /nfs/dbraw/zinc/98/56/46/949985646.db2.gz ZBAQRMSUXNMYQH-LLVKDONJSA-N -1 3 390.423 -0.304 20 0 GBADHM C[C@H](CN(C)C(=O)CN1CCNC(=O)C1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574727760 949985629 /nfs/dbraw/zinc/98/56/29/949985629.db2.gz ZBAQRMSUXNMYQH-LLVKDONJSA-N -1 3 390.423 -0.304 20 0 GBADHM C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574727761 949986679 /nfs/dbraw/zinc/98/66/79/949986679.db2.gz ZBAQRMSUXNMYQH-NSHDSACASA-N -1 3 390.423 -0.304 20 0 GBADHM C[C@@H](CN(C)C(=O)CN1CCNC(=O)C1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574727761 949986659 /nfs/dbraw/zinc/98/66/59/949986659.db2.gz ZBAQRMSUXNMYQH-NSHDSACASA-N -1 3 390.423 -0.304 20 0 GBADHM C[C@@H](CN(C)C(=O)CN1CCCNC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574727768 949984935 /nfs/dbraw/zinc/98/49/35/949984935.db2.gz ZEFMSQUXSZQPIY-JTQLQIEISA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@@H](CN(C)C(=O)CN1CCCNC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574727768 949984914 /nfs/dbraw/zinc/98/49/14/949984914.db2.gz ZEFMSQUXSZQPIY-JTQLQIEISA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CN(C)C(=O)CN1CCCNC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574727769 949986732 /nfs/dbraw/zinc/98/67/32/949986732.db2.gz ZEFMSQUXSZQPIY-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CN(C)C(=O)CN1CCCNC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574727769 949986713 /nfs/dbraw/zinc/98/67/13/949986713.db2.gz ZEFMSQUXSZQPIY-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574731405 950046616 /nfs/dbraw/zinc/04/66/16/950046616.db2.gz DDROKECZPVCUAC-XCBNKYQSSA-N -1 3 391.367 -0.742 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574731405 950046597 /nfs/dbraw/zinc/04/65/97/950046597.db2.gz DDROKECZPVCUAC-XCBNKYQSSA-N -1 3 391.367 -0.742 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574731406 950045377 /nfs/dbraw/zinc/04/53/77/950045377.db2.gz DDROKECZPVCUAC-XVKPBYJWSA-N -1 3 391.367 -0.742 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574731406 950045358 /nfs/dbraw/zinc/04/53/58/950045358.db2.gz DDROKECZPVCUAC-XVKPBYJWSA-N -1 3 391.367 -0.742 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574731421 950048570 /nfs/dbraw/zinc/04/85/70/950048570.db2.gz DLIKWGJVYIRORL-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574731421 950048556 /nfs/dbraw/zinc/04/85/56/950048556.db2.gz DLIKWGJVYIRORL-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574731422 950047457 /nfs/dbraw/zinc/04/74/57/950047457.db2.gz DLIKWGJVYIRORL-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574731422 950047438 /nfs/dbraw/zinc/04/74/38/950047438.db2.gz DLIKWGJVYIRORL-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574732052 950065011 /nfs/dbraw/zinc/06/50/11/950065011.db2.gz FQYQLNXRXOLGBB-MRVPVSSYSA-N -1 3 377.800 -0.139 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ncnn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574732052 950064993 /nfs/dbraw/zinc/06/49/93/950064993.db2.gz FQYQLNXRXOLGBB-MRVPVSSYSA-N -1 3 377.800 -0.139 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574732054 950063831 /nfs/dbraw/zinc/06/38/31/950063831.db2.gz FQYQLNXRXOLGBB-QMMMGPOBSA-N -1 3 377.800 -0.139 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ncnn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574732054 950063808 /nfs/dbraw/zinc/06/38/08/950063808.db2.gz FQYQLNXRXOLGBB-QMMMGPOBSA-N -1 3 377.800 -0.139 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574732452 950070530 /nfs/dbraw/zinc/07/05/30/950070530.db2.gz IOTDUCRPCGXQIF-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574732452 950070511 /nfs/dbraw/zinc/07/05/11/950070511.db2.gz IOTDUCRPCGXQIF-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574732454 950067994 /nfs/dbraw/zinc/06/79/94/950067994.db2.gz IOTDUCRPCGXQIF-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574732454 950067976 /nfs/dbraw/zinc/06/79/76/950067976.db2.gz IOTDUCRPCGXQIF-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574732774 950074939 /nfs/dbraw/zinc/07/49/39/950074939.db2.gz KPBXCEZOWKVBPJ-KCJUWKMLSA-N -1 3 390.379 -0.137 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574732774 950074918 /nfs/dbraw/zinc/07/49/18/950074918.db2.gz KPBXCEZOWKVBPJ-KCJUWKMLSA-N -1 3 390.379 -0.137 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574732776 950074429 /nfs/dbraw/zinc/07/44/29/950074429.db2.gz KPBXCEZOWKVBPJ-KWQFWETISA-N -1 3 390.379 -0.137 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574732776 950074405 /nfs/dbraw/zinc/07/44/05/950074405.db2.gz KPBXCEZOWKVBPJ-KWQFWETISA-N -1 3 390.379 -0.137 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574732822 950079116 /nfs/dbraw/zinc/07/91/16/950079116.db2.gz KZMUGBKURFDEAL-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574732822 950079092 /nfs/dbraw/zinc/07/90/92/950079092.db2.gz KZMUGBKURFDEAL-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574732823 950081552 /nfs/dbraw/zinc/08/15/52/950081552.db2.gz KZMUGBKURFDEAL-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574732823 950081531 /nfs/dbraw/zinc/08/15/31/950081531.db2.gz KZMUGBKURFDEAL-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574732839 950079462 /nfs/dbraw/zinc/07/94/62/950079462.db2.gz LEEFQPBYCXFWAB-SECBINFHSA-N -1 3 390.383 -0.745 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574732839 950079442 /nfs/dbraw/zinc/07/94/42/950079442.db2.gz LEEFQPBYCXFWAB-SECBINFHSA-N -1 3 390.383 -0.745 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574732845 950078676 /nfs/dbraw/zinc/07/86/76/950078676.db2.gz LEEFQPBYCXFWAB-VIFPVBQESA-N -1 3 390.383 -0.745 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574732845 950078659 /nfs/dbraw/zinc/07/86/59/950078659.db2.gz LEEFQPBYCXFWAB-VIFPVBQESA-N -1 3 390.383 -0.745 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574732894 950080263 /nfs/dbraw/zinc/08/02/63/950080263.db2.gz MCXXRVMGPUKUMC-JTQLQIEISA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574732894 950080240 /nfs/dbraw/zinc/08/02/40/950080240.db2.gz MCXXRVMGPUKUMC-JTQLQIEISA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574732895 950080982 /nfs/dbraw/zinc/08/09/82/950080982.db2.gz MCXXRVMGPUKUMC-SNVBAGLBSA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574732895 950080964 /nfs/dbraw/zinc/08/09/64/950080964.db2.gz MCXXRVMGPUKUMC-SNVBAGLBSA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574732900 950079858 /nfs/dbraw/zinc/07/98/58/950079858.db2.gz MGJXAHUOFLWQSG-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574732900 950079846 /nfs/dbraw/zinc/07/98/46/950079846.db2.gz MGJXAHUOFLWQSG-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574732901 950077938 /nfs/dbraw/zinc/07/79/38/950077938.db2.gz MGJXAHUOFLWQSG-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574732901 950077914 /nfs/dbraw/zinc/07/79/14/950077914.db2.gz MGJXAHUOFLWQSG-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574732996 950084926 /nfs/dbraw/zinc/08/49/26/950084926.db2.gz PBXIRXFCYRYXIF-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574732996 950084896 /nfs/dbraw/zinc/08/48/96/950084896.db2.gz PBXIRXFCYRYXIF-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574732997 950087084 /nfs/dbraw/zinc/08/70/84/950087084.db2.gz PBXIRXFCYRYXIF-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574732997 950087066 /nfs/dbraw/zinc/08/70/66/950087066.db2.gz PBXIRXFCYRYXIF-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574733018 950090654 /nfs/dbraw/zinc/09/06/54/950090654.db2.gz PWHUADAYVMBMPQ-JTQLQIEISA-N -1 3 389.395 -0.140 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ncn(C)c1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574733018 950090633 /nfs/dbraw/zinc/09/06/33/950090633.db2.gz PWHUADAYVMBMPQ-JTQLQIEISA-N -1 3 389.395 -0.140 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574733019 950092970 /nfs/dbraw/zinc/09/29/70/950092970.db2.gz PWHUADAYVMBMPQ-SNVBAGLBSA-N -1 3 389.395 -0.140 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ncn(C)c1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574733019 950092952 /nfs/dbraw/zinc/09/29/52/950092952.db2.gz PWHUADAYVMBMPQ-SNVBAGLBSA-N -1 3 389.395 -0.140 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1cnnn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574733182 950100754 /nfs/dbraw/zinc/10/07/54/950100754.db2.gz VDDLDCXJYJNPIF-MRVPVSSYSA-N -1 3 377.800 -0.139 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1cnnn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574733182 950100739 /nfs/dbraw/zinc/10/07/39/950100739.db2.gz VDDLDCXJYJNPIF-MRVPVSSYSA-N -1 3 377.800 -0.139 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1cnnn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574733183 950101392 /nfs/dbraw/zinc/10/13/92/950101392.db2.gz VDDLDCXJYJNPIF-QMMMGPOBSA-N -1 3 377.800 -0.139 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1cnnn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574733183 950101386 /nfs/dbraw/zinc/10/13/86/950101386.db2.gz VDDLDCXJYJNPIF-QMMMGPOBSA-N -1 3 377.800 -0.139 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574733304 950106182 /nfs/dbraw/zinc/10/61/82/950106182.db2.gz YEDOLVBMGXEWLO-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574733304 950106174 /nfs/dbraw/zinc/10/61/74/950106174.db2.gz YEDOLVBMGXEWLO-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574733305 950104314 /nfs/dbraw/zinc/10/43/14/950104314.db2.gz YEDOLVBMGXEWLO-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ccccc1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574733305 950104295 /nfs/dbraw/zinc/10/42/95/950104295.db2.gz YEDOLVBMGXEWLO-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574733340 950110712 /nfs/dbraw/zinc/11/07/12/950110712.db2.gz ZLBFEBZNABCDHY-JTQLQIEISA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574733340 950110703 /nfs/dbraw/zinc/11/07/03/950110703.db2.gz ZLBFEBZNABCDHY-JTQLQIEISA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)Nc1ncccc1-c1nn[n-]n1 ZINC001574733341 950111057 /nfs/dbraw/zinc/11/10/57/950111057.db2.gz ZLBFEBZNABCDHY-SNVBAGLBSA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@H](CN(C)C(=O)Cn1ccc(=O)[nH]c1=O)Nc1ncccc1-c1nnn[n-]1 ZINC001574733341 950111037 /nfs/dbraw/zinc/11/10/37/950111037.db2.gz ZLBFEBZNABCDHY-SNVBAGLBSA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)N1CCOCC1 ZINC001574738038 950162201 /nfs/dbraw/zinc/16/22/01/950162201.db2.gz BHHLGCBEFSMAKC-NEPJUHHUSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)N1CCOCC1 ZINC001574738038 950162189 /nfs/dbraw/zinc/16/21/89/950162189.db2.gz BHHLGCBEFSMAKC-NEPJUHHUSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H](C)N1CCOCC1 ZINC001574738039 950164138 /nfs/dbraw/zinc/16/41/38/950164138.db2.gz BHHLGCBEFSMAKC-RYUDHWBXSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H](C)N1CCOCC1 ZINC001574738039 950164126 /nfs/dbraw/zinc/16/41/26/950164126.db2.gz BHHLGCBEFSMAKC-RYUDHWBXSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc(=O)n(C)n1 ZINC001574738073 950162795 /nfs/dbraw/zinc/16/27/95/950162795.db2.gz BQNWOSNSMJQTMX-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc(=O)n(C)n1 ZINC001574738073 950162787 /nfs/dbraw/zinc/16/27/87/950162787.db2.gz BQNWOSNSMJQTMX-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc(=O)n(C)n1 ZINC001574738076 950163500 /nfs/dbraw/zinc/16/35/00/950163500.db2.gz BQNWOSNSMJQTMX-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc(=O)n(C)n1 ZINC001574738076 950163490 /nfs/dbraw/zinc/16/34/90/950163490.db2.gz BQNWOSNSMJQTMX-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nnc2n1CCOC2 ZINC001574738584 950173849 /nfs/dbraw/zinc/17/38/49/950173849.db2.gz GVYPEIUCMBYMJS-JTQLQIEISA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1nnc2n1CCOC2 ZINC001574738587 950176201 /nfs/dbraw/zinc/17/62/01/950176201.db2.gz GVYPEIUCMBYMJS-SNVBAGLBSA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2n(n1)CCO2 ZINC001574738808 950176162 /nfs/dbraw/zinc/17/61/62/950176162.db2.gz IARBISACLPIBSI-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2n(n1)CCO2 ZINC001574738808 950176148 /nfs/dbraw/zinc/17/61/48/950176148.db2.gz IARBISACLPIBSI-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2n(n1)CCO2 ZINC001574738810 950175928 /nfs/dbraw/zinc/17/59/28/950175928.db2.gz IARBISACLPIBSI-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2n(n1)CCO2 ZINC001574738810 950175916 /nfs/dbraw/zinc/17/59/16/950175916.db2.gz IARBISACLPIBSI-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1ccccc1=O ZINC001574739153 950185581 /nfs/dbraw/zinc/18/55/81/950185581.db2.gz MBMQVTIHNWVKCD-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cn1ccccc1=O ZINC001574739153 950185565 /nfs/dbraw/zinc/18/55/65/950185565.db2.gz MBMQVTIHNWVKCD-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1ccccc1=O ZINC001574739154 950187236 /nfs/dbraw/zinc/18/72/36/950187236.db2.gz MBMQVTIHNWVKCD-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cn1ccccc1=O ZINC001574739154 950187226 /nfs/dbraw/zinc/18/72/26/950187226.db2.gz MBMQVTIHNWVKCD-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001574739407 950193255 /nfs/dbraw/zinc/19/32/55/950193255.db2.gz PIDZDFPDOUBVKX-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001574739407 950193239 /nfs/dbraw/zinc/19/32/39/950193239.db2.gz PIDZDFPDOUBVKX-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001574739408 950194412 /nfs/dbraw/zinc/19/44/12/950194412.db2.gz PIDZDFPDOUBVKX-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1CCCN1C(N)=O ZINC001574739408 950194402 /nfs/dbraw/zinc/19/44/02/950194402.db2.gz PIDZDFPDOUBVKX-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cccc(=O)n1C ZINC001574739419 950194459 /nfs/dbraw/zinc/19/44/59/950194459.db2.gz PQGRXBSGVMCXJN-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cccc(=O)n1C ZINC001574739419 950194446 /nfs/dbraw/zinc/19/44/46/950194446.db2.gz PQGRXBSGVMCXJN-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cccc(=O)n1C ZINC001574739420 950193388 /nfs/dbraw/zinc/19/33/88/950193388.db2.gz PQGRXBSGVMCXJN-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cccc(=O)n1C ZINC001574739420 950193371 /nfs/dbraw/zinc/19/33/71/950193371.db2.gz PQGRXBSGVMCXJN-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM 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C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cccn(C)c1=O ZINC001574739546 950199675 /nfs/dbraw/zinc/19/96/75/950199675.db2.gz RLKRYNHJABYYGR-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cccn(C)c1=O ZINC001574739547 950197539 /nfs/dbraw/zinc/19/75/39/950197539.db2.gz RLKRYNHJABYYGR-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cccn(C)c1=O ZINC001574739547 950197527 /nfs/dbraw/zinc/19/75/27/950197527.db2.gz RLKRYNHJABYYGR-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574739630 950202950 /nfs/dbraw/zinc/20/29/50/950202950.db2.gz UHWSPKAMBAQBGK-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574739630 950202932 /nfs/dbraw/zinc/20/29/32/950202932.db2.gz UHWSPKAMBAQBGK-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM 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C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574740258 950225447 /nfs/dbraw/zinc/22/54/47/950225447.db2.gz CYQIFJHNJFVRAB-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574740259 950225543 /nfs/dbraw/zinc/22/55/43/950225543.db2.gz CYQIFJHNJFVRAB-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574740259 950225519 /nfs/dbraw/zinc/22/55/19/950225519.db2.gz CYQIFJHNJFVRAB-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCCn1ccnn1 ZINC001574740278 950224177 /nfs/dbraw/zinc/22/41/77/950224177.db2.gz DNKDCVFPLNXVRS-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCCn1ccnn1 ZINC001574740278 950224162 /nfs/dbraw/zinc/22/41/62/950224162.db2.gz DNKDCVFPLNXVRS-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCCn1ccnn1 ZINC001574740279 950222984 /nfs/dbraw/zinc/22/29/84/950222984.db2.gz DNKDCVFPLNXVRS-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCCn1ccnn1 ZINC001574740279 950222966 /nfs/dbraw/zinc/22/29/66/950222966.db2.gz DNKDCVFPLNXVRS-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574740288 950231039 /nfs/dbraw/zinc/23/10/39/950231039.db2.gz DSVVLMJJNPTOTK-JFUSQASVSA-N -1 3 392.395 -0.308 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574740288 950231021 /nfs/dbraw/zinc/23/10/21/950231021.db2.gz DSVVLMJJNPTOTK-JFUSQASVSA-N -1 3 392.395 -0.308 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574740289 950230094 /nfs/dbraw/zinc/23/00/94/950230094.db2.gz DSVVLMJJNPTOTK-KPXOXKRLSA-N -1 3 392.395 -0.308 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574740289 950230080 /nfs/dbraw/zinc/23/00/80/950230080.db2.gz DSVVLMJJNPTOTK-KPXOXKRLSA-N -1 3 392.395 -0.308 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1OCCCO1 ZINC001574741103 950236173 /nfs/dbraw/zinc/23/61/73/950236173.db2.gz GQBGSGKGRVWRKZ-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1OCCCO1 ZINC001574741103 950236151 /nfs/dbraw/zinc/23/61/51/950236151.db2.gz GQBGSGKGRVWRKZ-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CC1OCCCO1 ZINC001574741107 950235147 /nfs/dbraw/zinc/23/51/47/950235147.db2.gz GQBGSGKGRVWRKZ-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CC1OCCCO1 ZINC001574741107 950235128 /nfs/dbraw/zinc/23/51/28/950235128.db2.gz GQBGSGKGRVWRKZ-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cnn(C)n1 ZINC001574741125 950234143 /nfs/dbraw/zinc/23/41/43/950234143.db2.gz GUSMQIRBIJXBOT-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cnn(C)n1 ZINC001574741125 950234116 /nfs/dbraw/zinc/23/41/16/950234116.db2.gz GUSMQIRBIJXBOT-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCc1cnn(C)n1 ZINC001574741127 950232741 /nfs/dbraw/zinc/23/27/41/950232741.db2.gz GUSMQIRBIJXBOT-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCc1cnn(C)n1 ZINC001574741127 950232722 /nfs/dbraw/zinc/23/27/22/950232722.db2.gz GUSMQIRBIJXBOT-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCN1CCCC1=O ZINC001574741128 950236381 /nfs/dbraw/zinc/23/63/81/950236381.db2.gz GVGFROBWLHIVLH-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCN1CCCC1=O ZINC001574741128 950236362 /nfs/dbraw/zinc/23/63/62/950236362.db2.gz GVGFROBWLHIVLH-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCN1CCCC1=O ZINC001574741130 950236450 /nfs/dbraw/zinc/23/64/50/950236450.db2.gz GVGFROBWLHIVLH-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCN1CCCC1=O ZINC001574741130 950236428 /nfs/dbraw/zinc/23/64/28/950236428.db2.gz GVGFROBWLHIVLH-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCCn1cncn1 ZINC001574741217 950239786 /nfs/dbraw/zinc/23/97/86/950239786.db2.gz IKDNUTFKCOBNBH-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCCn1cncn1 ZINC001574741217 950239768 /nfs/dbraw/zinc/23/97/68/950239768.db2.gz IKDNUTFKCOBNBH-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CCCn1cncn1 ZINC001574741218 950240155 /nfs/dbraw/zinc/24/01/55/950240155.db2.gz IKDNUTFKCOBNBH-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CCCn1cncn1 ZINC001574741218 950240138 /nfs/dbraw/zinc/24/01/38/950240138.db2.gz IKDNUTFKCOBNBH-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574741266 950241112 /nfs/dbraw/zinc/24/11/12/950241112.db2.gz IUVVGJVSQWGHBT-GWCFXTLKSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CN(C)CCO1 ZINC001574741267 950238626 /nfs/dbraw/zinc/23/86/26/950238626.db2.gz IUVVGJVSQWGHBT-GXFFZTMASA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574741269 950239986 /nfs/dbraw/zinc/23/99/86/950239986.db2.gz IUVVGJVSQWGHBT-MFKMUULPSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@H]1CN(C)CCO1 ZINC001574741271 950239499 /nfs/dbraw/zinc/23/94/99/950239499.db2.gz IUVVGJVSQWGHBT-ZWNOBZJWSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C)c(=O)n1C ZINC001574741410 950242146 /nfs/dbraw/zinc/24/21/46/950242146.db2.gz AYOCLDFETICQRM-SECBINFHSA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C)c(=O)n1C ZINC001574741410 950242127 /nfs/dbraw/zinc/24/21/27/950242127.db2.gz AYOCLDFETICQRM-SECBINFHSA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(C)c(=O)n1C ZINC001574741411 950246506 /nfs/dbraw/zinc/24/65/06/950246506.db2.gz AYOCLDFETICQRM-VIFPVBQESA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(C)c(=O)n1C ZINC001574741411 950246488 /nfs/dbraw/zinc/24/64/88/950246488.db2.gz AYOCLDFETICQRM-VIFPVBQESA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccc(=O)n1C ZINC001574741434 950245661 /nfs/dbraw/zinc/24/56/61/950245661.db2.gz BEZMUXAOVIIFOH-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccc(=O)n1C ZINC001574741434 950245640 /nfs/dbraw/zinc/24/56/40/950245640.db2.gz BEZMUXAOVIIFOH-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cccc(=O)n1C ZINC001574741435 950243369 /nfs/dbraw/zinc/24/33/69/950243369.db2.gz BEZMUXAOVIIFOH-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cccc(=O)n1C ZINC001574741435 950243354 /nfs/dbraw/zinc/24/33/54/950243354.db2.gz BEZMUXAOVIIFOH-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCN1CCOCC1 ZINC001574741436 950244652 /nfs/dbraw/zinc/24/46/52/950244652.db2.gz BFLDWEVIGMQMLY-GFCCVEGCSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCN1CCOCC1 ZINC001574741436 950244632 /nfs/dbraw/zinc/24/46/32/950244632.db2.gz BFLDWEVIGMQMLY-GFCCVEGCSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCN1CCOCC1 ZINC001574741437 950246579 /nfs/dbraw/zinc/24/65/79/950246579.db2.gz BFLDWEVIGMQMLY-LBPRGKRZSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCN1CCOCC1 ZINC001574741437 950246561 /nfs/dbraw/zinc/24/65/61/950246561.db2.gz BFLDWEVIGMQMLY-LBPRGKRZSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1OCCO[C@H]1C ZINC001574741474 950245311 /nfs/dbraw/zinc/24/53/11/950245311.db2.gz BMEDRLNDICJYGQ-KWBADKCTSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1OCCO[C@H]1C ZINC001574741474 950245297 /nfs/dbraw/zinc/24/52/97/950245297.db2.gz BMEDRLNDICJYGQ-KWBADKCTSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1OCCO[C@H]1C ZINC001574741476 950246288 /nfs/dbraw/zinc/24/62/88/950246288.db2.gz BMEDRLNDICJYGQ-NRUUGDAUSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1OCCO[C@H]1C ZINC001574741476 950246268 /nfs/dbraw/zinc/24/62/68/950246268.db2.gz BMEDRLNDICJYGQ-NRUUGDAUSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CNC(=O)C(C)(C)C ZINC001574741559 950251048 /nfs/dbraw/zinc/25/10/48/950251048.db2.gz JFKCLLPMQUUESC-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CNC(=O)C(C)(C)C ZINC001574741559 950251031 /nfs/dbraw/zinc/25/10/31/950251031.db2.gz JFKCLLPMQUUESC-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CNC(=O)C(C)(C)C ZINC001574741560 950247606 /nfs/dbraw/zinc/24/76/06/950247606.db2.gz JFKCLLPMQUUESC-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CNC(=O)C(C)(C)C ZINC001574741560 950247587 /nfs/dbraw/zinc/24/75/87/950247587.db2.gz JFKCLLPMQUUESC-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CN(C)C(=O)C1CC1 ZINC001574741590 950249899 /nfs/dbraw/zinc/24/98/99/950249899.db2.gz JRMDSPZPEGOYJK-JTQLQIEISA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CN(C)C(=O)C1CC1 ZINC001574741590 950249877 /nfs/dbraw/zinc/24/98/77/950249877.db2.gz JRMDSPZPEGOYJK-JTQLQIEISA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CN(C)C(=O)C1CC1 ZINC001574741591 950248035 /nfs/dbraw/zinc/24/80/35/950248035.db2.gz JRMDSPZPEGOYJK-SNVBAGLBSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CN(C)C(=O)C1CC1 ZINC001574741591 950248015 /nfs/dbraw/zinc/24/80/15/950248015.db2.gz JRMDSPZPEGOYJK-SNVBAGLBSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574741596 950248840 /nfs/dbraw/zinc/24/88/40/950248840.db2.gz JVCZFPALPVTEEB-NXEZZACHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574741596 950248829 /nfs/dbraw/zinc/24/88/29/950248829.db2.gz JVCZFPALPVTEEB-NXEZZACHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574741597 950251100 /nfs/dbraw/zinc/25/11/00/950251100.db2.gz JVCZFPALPVTEEB-UWVGGRQHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574741597 950251083 /nfs/dbraw/zinc/25/10/83/950251083.db2.gz JVCZFPALPVTEEB-UWVGGRQHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574741598 950248552 /nfs/dbraw/zinc/24/85/52/950248552.db2.gz JVCZFPALPVTEEB-VHSXEESVSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574741598 950248538 /nfs/dbraw/zinc/24/85/38/950248538.db2.gz JVCZFPALPVTEEB-VHSXEESVSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574741599 950250994 /nfs/dbraw/zinc/25/09/94/950250994.db2.gz JVCZFPALPVTEEB-ZJUUUORDSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574741599 950250979 /nfs/dbraw/zinc/25/09/79/950250979.db2.gz JVCZFPALPVTEEB-ZJUUUORDSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001574741759 950255734 /nfs/dbraw/zinc/25/57/34/950255734.db2.gz CDKHZPOVINLIEW-CMPLNLGQSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CCCC(=O)N1 ZINC001574741759 950255712 /nfs/dbraw/zinc/25/57/12/950255712.db2.gz CDKHZPOVINLIEW-CMPLNLGQSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CCCC(=O)N1 ZINC001574741760 950252792 /nfs/dbraw/zinc/25/27/92/950252792.db2.gz CDKHZPOVINLIEW-JQWIXIFHSA-N -1 3 388.432 -0.170 20 0 GBADHM 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C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)CN1CCCNC1=O ZINC001574742115 950267941 /nfs/dbraw/zinc/26/79/41/950267941.db2.gz LSBUXORJXCDHMH-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)CN1CCCNC1=O ZINC001574742115 950267926 /nfs/dbraw/zinc/26/79/26/950267926.db2.gz LSBUXORJXCDHMH-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CCC(=O)N1C ZINC001574742168 950270591 /nfs/dbraw/zinc/27/05/91/950270591.db2.gz HITLICWJYCTHRA-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CCC(=O)N1C ZINC001574742168 950270568 /nfs/dbraw/zinc/27/05/68/950270568.db2.gz HITLICWJYCTHRA-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CCC(=O)N1C ZINC001574742169 950266878 /nfs/dbraw/zinc/26/68/78/950266878.db2.gz HITLICWJYCTHRA-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H]1CCC(=O)N1C ZINC001574742169 950266859 /nfs/dbraw/zinc/26/68/59/950266859.db2.gz HITLICWJYCTHRA-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CCC(=O)N1C ZINC001574742170 950268588 /nfs/dbraw/zinc/26/85/88/950268588.db2.gz HITLICWJYCTHRA-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H]1CCC(=O)N1C ZINC001574742170 950268566 /nfs/dbraw/zinc/26/85/66/950268566.db2.gz HITLICWJYCTHRA-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CCC(=O)N1C ZINC001574742171 950269894 /nfs/dbraw/zinc/26/98/94/950269894.db2.gz HITLICWJYCTHRA-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CCC(=O)N1C ZINC001574742171 950269872 /nfs/dbraw/zinc/26/98/72/950269872.db2.gz HITLICWJYCTHRA-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(=O)n(C)cn1 ZINC001574742198 950271618 /nfs/dbraw/zinc/27/16/18/950271618.db2.gz IIKNADZHQPXTSQ-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(=O)n(C)cn1 ZINC001574742198 950271592 /nfs/dbraw/zinc/27/15/92/950271592.db2.gz IIKNADZHQPXTSQ-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(=O)n(C)cn1 ZINC001574742199 950275378 /nfs/dbraw/zinc/27/53/78/950275378.db2.gz IIKNADZHQPXTSQ-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(=O)n(C)cn1 ZINC001574742199 950275356 /nfs/dbraw/zinc/27/53/56/950275356.db2.gz IIKNADZHQPXTSQ-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001574742202 950271714 /nfs/dbraw/zinc/27/17/14/950271714.db2.gz IKKZFPFKKSWJAZ-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001574742202 950271703 /nfs/dbraw/zinc/27/17/03/950271703.db2.gz IKKZFPFKKSWJAZ-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001574742203 950272980 /nfs/dbraw/zinc/27/29/80/950272980.db2.gz IKKZFPFKKSWJAZ-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001574742203 950272961 /nfs/dbraw/zinc/27/29/61/950272961.db2.gz IKKZFPFKKSWJAZ-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001574742204 950274225 /nfs/dbraw/zinc/27/42/25/950274225.db2.gz IKKZFPFKKSWJAZ-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001574742204 950274205 /nfs/dbraw/zinc/27/42/05/950274205.db2.gz IKKZFPFKKSWJAZ-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001574742205 950274162 /nfs/dbraw/zinc/27/41/62/950274162.db2.gz IKKZFPFKKSWJAZ-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001574742205 950274140 /nfs/dbraw/zinc/27/41/40/950274140.db2.gz IKKZFPFKKSWJAZ-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574742206 950273963 /nfs/dbraw/zinc/27/39/63/950273963.db2.gz IKRPIZQVJIPJLL-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574742206 950273950 /nfs/dbraw/zinc/27/39/50/950273950.db2.gz IKRPIZQVJIPJLL-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574742207 950272216 /nfs/dbraw/zinc/27/22/16/950272216.db2.gz IKRPIZQVJIPJLL-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574742207 950272193 /nfs/dbraw/zinc/27/21/93/950272193.db2.gz IKRPIZQVJIPJLL-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574742208 950272347 /nfs/dbraw/zinc/27/23/47/950272347.db2.gz IKRPIZQVJIPJLL-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574742208 950272322 /nfs/dbraw/zinc/27/23/22/950272322.db2.gz IKRPIZQVJIPJLL-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574742209 950274014 /nfs/dbraw/zinc/27/40/14/950274014.db2.gz IKRPIZQVJIPJLL-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574742209 950273998 /nfs/dbraw/zinc/27/39/98/950273998.db2.gz IKRPIZQVJIPJLL-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCN1CCCC1=O ZINC001574742216 950271552 /nfs/dbraw/zinc/27/15/52/950271552.db2.gz IOHXCKOPZZJPRD-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCN1CCCC1=O ZINC001574742216 950271530 /nfs/dbraw/zinc/27/15/30/950271530.db2.gz IOHXCKOPZZJPRD-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCN1CCCC1=O ZINC001574742217 950271764 /nfs/dbraw/zinc/27/17/64/950271764.db2.gz IOHXCKOPZZJPRD-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCN1CCCC1=O ZINC001574742217 950271750 /nfs/dbraw/zinc/27/17/50/950271750.db2.gz IOHXCKOPZZJPRD-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574742282 950278512 /nfs/dbraw/zinc/27/85/12/950278512.db2.gz NLEGOYHUJWYDTQ-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574742282 950278495 /nfs/dbraw/zinc/27/84/95/950278495.db2.gz NLEGOYHUJWYDTQ-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574742283 950277663 /nfs/dbraw/zinc/27/76/63/950277663.db2.gz NLEGOYHUJWYDTQ-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CN(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574742283 950277645 /nfs/dbraw/zinc/27/76/45/950277645.db2.gz NLEGOYHUJWYDTQ-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COC[C@H]1CCOC1 ZINC001574742306 950276919 /nfs/dbraw/zinc/27/69/19/950276919.db2.gz ODQSZVSKPCRDHX-NEPJUHHUSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COC[C@H]1CCOC1 ZINC001574742306 950276904 /nfs/dbraw/zinc/27/69/04/950276904.db2.gz ODQSZVSKPCRDHX-NEPJUHHUSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COC[C@@H]1CCOC1 ZINC001574742307 950280684 /nfs/dbraw/zinc/28/06/84/950280684.db2.gz ODQSZVSKPCRDHX-NWDGAFQWSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COC[C@@H]1CCOC1 ZINC001574742307 950280672 /nfs/dbraw/zinc/28/06/72/950280672.db2.gz ODQSZVSKPCRDHX-NWDGAFQWSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COC[C@H]1CCOC1 ZINC001574742308 950280492 /nfs/dbraw/zinc/28/04/92/950280492.db2.gz ODQSZVSKPCRDHX-RYUDHWBXSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)COC[C@H]1CCOC1 ZINC001574742308 950280471 /nfs/dbraw/zinc/28/04/71/950280471.db2.gz ODQSZVSKPCRDHX-RYUDHWBXSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)COC[C@@H]1CCOC1 ZINC001574742309 950279833 /nfs/dbraw/zinc/27/98/33/950279833.db2.gz ODQSZVSKPCRDHX-VXGBXAGGSA-N -1 3 391.432 -0.175 20 0 GBADHM 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C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001574750641 950436315 /nfs/dbraw/zinc/43/63/15/950436315.db2.gz DXLYGDASBSPDTO-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCN(C)C1=O ZINC001574750641 950436297 /nfs/dbraw/zinc/43/62/97/950436297.db2.gz DXLYGDASBSPDTO-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCN(C)C1=O ZINC001574750642 950434231 /nfs/dbraw/zinc/43/42/31/950434231.db2.gz DXLYGDASBSPDTO-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCN(C)C1=O ZINC001574750642 950434219 /nfs/dbraw/zinc/43/42/19/950434219.db2.gz DXLYGDASBSPDTO-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCn1cncn1 ZINC001574750735 950441375 /nfs/dbraw/zinc/44/13/75/950441375.db2.gz GSXCDVGOBHGAOR-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCn1cncn1 ZINC001574750735 950441365 /nfs/dbraw/zinc/44/13/65/950441365.db2.gz GSXCDVGOBHGAOR-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCn1cncn1 ZINC001574750736 950439662 /nfs/dbraw/zinc/43/96/62/950439662.db2.gz GSXCDVGOBHGAOR-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCn1cncn1 ZINC001574750736 950439644 /nfs/dbraw/zinc/43/96/44/950439644.db2.gz GSXCDVGOBHGAOR-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574750920 950448317 /nfs/dbraw/zinc/44/83/17/950448317.db2.gz JEDWKHIYGLJRDK-GWCFXTLKSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574750920 950448307 /nfs/dbraw/zinc/44/83/07/950448307.db2.gz JEDWKHIYGLJRDK-GWCFXTLKSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CN(C)CCO1 ZINC001574750923 950448127 /nfs/dbraw/zinc/44/81/27/950448127.db2.gz JEDWKHIYGLJRDK-GXFFZTMASA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CN(C)CCO1 ZINC001574750923 950448117 /nfs/dbraw/zinc/44/81/17/950448117.db2.gz JEDWKHIYGLJRDK-GXFFZTMASA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574750925 950448024 /nfs/dbraw/zinc/44/80/24/950448024.db2.gz JEDWKHIYGLJRDK-MFKMUULPSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CN(C)CCO1 ZINC001574750925 950448016 /nfs/dbraw/zinc/44/80/16/950448016.db2.gz JEDWKHIYGLJRDK-MFKMUULPSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CN(C)CCO1 ZINC001574750927 950447415 /nfs/dbraw/zinc/44/74/15/950447415.db2.gz JEDWKHIYGLJRDK-ZWNOBZJWSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CN(C)CCO1 ZINC001574750927 950447404 /nfs/dbraw/zinc/44/74/04/950447404.db2.gz JEDWKHIYGLJRDK-ZWNOBZJWSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc2n(n1)CCO2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574750954 950447969 /nfs/dbraw/zinc/44/79/69/950447969.db2.gz JNWZKLRKXSDUDJ-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc2n(n1)CCO2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574750954 950447960 /nfs/dbraw/zinc/44/79/60/950447960.db2.gz JNWZKLRKXSDUDJ-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCO2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574750957 950447442 /nfs/dbraw/zinc/44/74/42/950447442.db2.gz JNWZKLRKXSDUDJ-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCO2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574750957 950447434 /nfs/dbraw/zinc/44/74/34/950447434.db2.gz JNWZKLRKXSDUDJ-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574751196 950452239 /nfs/dbraw/zinc/45/22/39/950452239.db2.gz LCHBRQDFVFYIFD-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574751196 950452231 /nfs/dbraw/zinc/45/22/31/950452231.db2.gz LCHBRQDFVFYIFD-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574751197 950452701 /nfs/dbraw/zinc/45/27/01/950452701.db2.gz LCHBRQDFVFYIFD-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574751197 950452693 /nfs/dbraw/zinc/45/26/93/950452693.db2.gz LCHBRQDFVFYIFD-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574751198 950451958 /nfs/dbraw/zinc/45/19/58/950451958.db2.gz LCHBRQDFVFYIFD-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574751198 950451948 /nfs/dbraw/zinc/45/19/48/950451948.db2.gz LCHBRQDFVFYIFD-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574751199 950451671 /nfs/dbraw/zinc/45/16/71/950451671.db2.gz LCHBRQDFVFYIFD-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574751199 950451659 /nfs/dbraw/zinc/45/16/59/950451659.db2.gz LCHBRQDFVFYIFD-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC(=O)NCC1CC1 ZINC001574751225 950452806 /nfs/dbraw/zinc/45/28/06/950452806.db2.gz LNRSBCNBJXTPCI-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC(=O)NCC1CC1 ZINC001574751225 950452798 /nfs/dbraw/zinc/45/27/98/950452798.db2.gz LNRSBCNBJXTPCI-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC(=O)NCC1CC1 ZINC001574751226 950453880 /nfs/dbraw/zinc/45/38/80/950453880.db2.gz LNRSBCNBJXTPCI-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC(=O)NCC1CC1 ZINC001574751226 950453872 /nfs/dbraw/zinc/45/38/72/950453872.db2.gz LNRSBCNBJXTPCI-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCn1ccnn1 ZINC001574751227 950451585 /nfs/dbraw/zinc/45/15/85/950451585.db2.gz LQTDTHPLFXOCJI-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCn1ccnn1 ZINC001574751227 950451572 /nfs/dbraw/zinc/45/15/72/950451572.db2.gz LQTDTHPLFXOCJI-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCn1ccnn1 ZINC001574751229 950453841 /nfs/dbraw/zinc/45/38/41/950453841.db2.gz LQTDTHPLFXOCJI-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCn1ccnn1 ZINC001574751229 950453835 /nfs/dbraw/zinc/45/38/35/950453835.db2.gz LQTDTHPLFXOCJI-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC1OCCCO1 ZINC001574751392 950458007 /nfs/dbraw/zinc/45/80/07/950458007.db2.gz MXLIPNMRPSUYFD-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC1OCCCO1 ZINC001574751392 950457994 /nfs/dbraw/zinc/45/79/94/950457994.db2.gz MXLIPNMRPSUYFD-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC1OCCCO1 ZINC001574751393 950456976 /nfs/dbraw/zinc/45/69/76/950456976.db2.gz MXLIPNMRPSUYFD-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC1OCCCO1 ZINC001574751393 950456961 /nfs/dbraw/zinc/45/69/61/950456961.db2.gz MXLIPNMRPSUYFD-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574751407 950455729 /nfs/dbraw/zinc/45/57/29/950455729.db2.gz NDCJLSSJIRJNEQ-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574751407 950455713 /nfs/dbraw/zinc/45/57/13/950455713.db2.gz NDCJLSSJIRJNEQ-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574751409 950457887 /nfs/dbraw/zinc/45/78/87/950457887.db2.gz NDCJLSSJIRJNEQ-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574751409 950457878 /nfs/dbraw/zinc/45/78/78/950457878.db2.gz NDCJLSSJIRJNEQ-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574751410 950455899 /nfs/dbraw/zinc/45/58/99/950455899.db2.gz NDCJLSSJIRJNEQ-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574751410 950455883 /nfs/dbraw/zinc/45/58/83/950455883.db2.gz NDCJLSSJIRJNEQ-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574751411 950458378 /nfs/dbraw/zinc/45/83/78/950458378.db2.gz NDCJLSSJIRJNEQ-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCNC(=O)CC1 ZINC001574751411 950458367 /nfs/dbraw/zinc/45/83/67/950458367.db2.gz NDCJLSSJIRJNEQ-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574751417 950455385 /nfs/dbraw/zinc/45/53/85/950455385.db2.gz NHEHXSMKFGTGEN-NXEZZACHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574751417 950455370 /nfs/dbraw/zinc/45/53/70/950455370.db2.gz NHEHXSMKFGTGEN-NXEZZACHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574751419 950457187 /nfs/dbraw/zinc/45/71/87/950457187.db2.gz NHEHXSMKFGTGEN-UWVGGRQHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574751419 950457179 /nfs/dbraw/zinc/45/71/79/950457179.db2.gz NHEHXSMKFGTGEN-UWVGGRQHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574751421 950456375 /nfs/dbraw/zinc/45/63/75/950456375.db2.gz NHEHXSMKFGTGEN-VHSXEESVSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574751421 950456367 /nfs/dbraw/zinc/45/63/67/950456367.db2.gz NHEHXSMKFGTGEN-VHSXEESVSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574751423 950456257 /nfs/dbraw/zinc/45/62/57/950456257.db2.gz NHEHXSMKFGTGEN-ZJUUUORDSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574751423 950456246 /nfs/dbraw/zinc/45/62/46/950456246.db2.gz NHEHXSMKFGTGEN-ZJUUUORDSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001574751482 950461351 /nfs/dbraw/zinc/46/13/51/950461351.db2.gz OIIIIXSKILGHOZ-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001574751482 950461340 /nfs/dbraw/zinc/46/13/40/950461340.db2.gz OIIIIXSKILGHOZ-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001574751483 950460367 /nfs/dbraw/zinc/46/03/67/950460367.db2.gz OIIIIXSKILGHOZ-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001574751483 950460350 /nfs/dbraw/zinc/46/03/50/950460350.db2.gz OIIIIXSKILGHOZ-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001574751485 950462160 /nfs/dbraw/zinc/46/21/60/950462160.db2.gz OIIIIXSKILGHOZ-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001574751485 950462144 /nfs/dbraw/zinc/46/21/44/950462144.db2.gz OIIIIXSKILGHOZ-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001574751487 950459682 /nfs/dbraw/zinc/45/96/82/950459682.db2.gz OIIIIXSKILGHOZ-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCC(=O)NC1 ZINC001574751487 950459666 /nfs/dbraw/zinc/45/96/66/950459666.db2.gz OIIIIXSKILGHOZ-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCN1CCCC1=O ZINC001574751958 950469231 /nfs/dbraw/zinc/46/92/31/950469231.db2.gz SCJRJKUXNUEEMA-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCN1CCCC1=O ZINC001574751958 950469217 /nfs/dbraw/zinc/46/92/17/950469217.db2.gz SCJRJKUXNUEEMA-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCN1CCCC1=O ZINC001574751959 950467640 /nfs/dbraw/zinc/46/76/40/950467640.db2.gz SCJRJKUXNUEEMA-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCN1CCCC1=O ZINC001574751959 950467622 /nfs/dbraw/zinc/46/76/22/950467622.db2.gz SCJRJKUXNUEEMA-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001574752212 950478938 /nfs/dbraw/zinc/47/89/38/950478938.db2.gz VTIHVNPIKXHDBV-BDAKNGLRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001574752212 950478927 /nfs/dbraw/zinc/47/89/27/950478927.db2.gz VTIHVNPIKXHDBV-BDAKNGLRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)S(C)(=O)=O ZINC001574752213 950478967 /nfs/dbraw/zinc/47/89/67/950478967.db2.gz VTIHVNPIKXHDBV-DTWKUNHWSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)S(C)(=O)=O ZINC001574752213 950478959 /nfs/dbraw/zinc/47/89/59/950478959.db2.gz VTIHVNPIKXHDBV-DTWKUNHWSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001574752360 950483478 /nfs/dbraw/zinc/48/34/78/950483478.db2.gz VTIHVNPIKXHDBV-IUCAKERBSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)S(C)(=O)=O ZINC001574752360 950483468 /nfs/dbraw/zinc/48/34/68/950483468.db2.gz VTIHVNPIKXHDBV-IUCAKERBSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001574752361 950483726 /nfs/dbraw/zinc/48/37/26/950483726.db2.gz VTIHVNPIKXHDBV-RKDXNWHRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001574752361 950483709 /nfs/dbraw/zinc/48/37/09/950483709.db2.gz VTIHVNPIKXHDBV-RKDXNWHRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCC(=O)N1C ZINC001574752366 950481841 /nfs/dbraw/zinc/48/18/41/950481841.db2.gz VXFAXQHGKFSOJW-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCC(=O)N1C ZINC001574752366 950481815 /nfs/dbraw/zinc/48/18/15/950481815.db2.gz VXFAXQHGKFSOJW-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCC(=O)N1C ZINC001574752367 950482342 /nfs/dbraw/zinc/48/23/42/950482342.db2.gz VXFAXQHGKFSOJW-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCCC(=O)N1C ZINC001574752367 950482324 /nfs/dbraw/zinc/48/23/24/950482324.db2.gz VXFAXQHGKFSOJW-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCC(=O)N1C ZINC001574752368 950484103 /nfs/dbraw/zinc/48/41/03/950484103.db2.gz VXFAXQHGKFSOJW-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCC(=O)N1C ZINC001574752368 950484087 /nfs/dbraw/zinc/48/40/87/950484087.db2.gz VXFAXQHGKFSOJW-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCC(=O)N1C ZINC001574752369 950483524 /nfs/dbraw/zinc/48/35/24/950483524.db2.gz VXFAXQHGKFSOJW-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCCC(=O)N1C ZINC001574752369 950483515 /nfs/dbraw/zinc/48/35/15/950483515.db2.gz VXFAXQHGKFSOJW-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc2n(n1)CCO2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574752471 950485355 /nfs/dbraw/zinc/48/53/55/950485355.db2.gz XFRKYMDDAXOLBC-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CN(C)C(=O)c1cc2n(n1)CCO2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574752471 950485338 /nfs/dbraw/zinc/48/53/38/950485338.db2.gz XFRKYMDDAXOLBC-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCO2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574752472 950485493 /nfs/dbraw/zinc/48/54/93/950485493.db2.gz XFRKYMDDAXOLBC-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cc2n(n1)CCO2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574752472 950485481 /nfs/dbraw/zinc/48/54/81/950485481.db2.gz XFRKYMDDAXOLBC-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCC(=O)N1C ZINC001574752688 950495394 /nfs/dbraw/zinc/49/53/94/950495394.db2.gz ZFGZCWRUAVONOE-GHMZBOCLSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCC(=O)N1C ZINC001574752688 950495384 /nfs/dbraw/zinc/49/53/84/950495384.db2.gz ZFGZCWRUAVONOE-GHMZBOCLSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCC(=O)N1C ZINC001574752691 950495280 /nfs/dbraw/zinc/49/52/80/950495280.db2.gz ZFGZCWRUAVONOE-MNOVXSKESA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCC(=O)N1C ZINC001574752691 950495271 /nfs/dbraw/zinc/49/52/71/950495271.db2.gz ZFGZCWRUAVONOE-MNOVXSKESA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCC(=O)N1C ZINC001574752694 950494462 /nfs/dbraw/zinc/49/44/62/950494462.db2.gz ZFGZCWRUAVONOE-QWRGUYRKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCC(=O)N1C ZINC001574752694 950494449 /nfs/dbraw/zinc/49/44/49/950494449.db2.gz ZFGZCWRUAVONOE-QWRGUYRKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCC(=O)N1C ZINC001574752697 950495611 /nfs/dbraw/zinc/49/56/11/950495611.db2.gz ZFGZCWRUAVONOE-WDEREUQCSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCC(=O)N1C ZINC001574752697 950495605 /nfs/dbraw/zinc/49/56/05/950495605.db2.gz ZFGZCWRUAVONOE-WDEREUQCSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cccc(=O)n1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574752718 950493892 /nfs/dbraw/zinc/49/38/92/950493892.db2.gz FKDJFCICAGRFMI-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cccc(=O)n1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574752718 950493881 /nfs/dbraw/zinc/49/38/81/950493881.db2.gz FKDJFCICAGRFMI-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cccc(=O)n1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574752721 950495204 /nfs/dbraw/zinc/49/52/04/950495204.db2.gz FKDJFCICAGRFMI-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cccc(=O)n1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574752721 950495196 /nfs/dbraw/zinc/49/51/96/950495196.db2.gz FKDJFCICAGRFMI-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cccc(=O)n1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574752730 950494418 /nfs/dbraw/zinc/49/44/18/950494418.db2.gz FKRZHGWRRVJRMN-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cccc(=O)n1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574752730 950494406 /nfs/dbraw/zinc/49/44/06/950494406.db2.gz FKRZHGWRRVJRMN-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cccc(=O)n1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574752733 950494000 /nfs/dbraw/zinc/49/40/00/950494000.db2.gz FKRZHGWRRVJRMN-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cccc(=O)n1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574752733 950493988 /nfs/dbraw/zinc/49/39/88/950493988.db2.gz FKRZHGWRRVJRMN-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCS(C)(=O)=O ZINC001574752742 950495447 /nfs/dbraw/zinc/49/54/47/950495447.db2.gz ZTOUZMXUGITAMF-SECBINFHSA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCS(C)(=O)=O ZINC001574752742 950495438 /nfs/dbraw/zinc/49/54/38/950495438.db2.gz ZTOUZMXUGITAMF-SECBINFHSA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCS(C)(=O)=O ZINC001574752744 950496353 /nfs/dbraw/zinc/49/63/53/950496353.db2.gz ZTOUZMXUGITAMF-VIFPVBQESA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCS(C)(=O)=O ZINC001574752744 950496336 /nfs/dbraw/zinc/49/63/36/950496336.db2.gz ZTOUZMXUGITAMF-VIFPVBQESA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cccc(=O)n1C ZINC001574752857 950500440 /nfs/dbraw/zinc/50/04/40/950500440.db2.gz BKABJDZOAKIIPI-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cccc(=O)n1C ZINC001574752857 950500426 /nfs/dbraw/zinc/50/04/26/950500426.db2.gz BKABJDZOAKIIPI-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cccc(=O)n1C ZINC001574752860 950498982 /nfs/dbraw/zinc/49/89/82/950498982.db2.gz BKABJDZOAKIIPI-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cccc(=O)n1C ZINC001574752860 950498973 /nfs/dbraw/zinc/49/89/73/950498973.db2.gz BKABJDZOAKIIPI-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C)c(=O)cn1 ZINC001574753283 950517874 /nfs/dbraw/zinc/51/78/74/950517874.db2.gz DUUCIQCJQMSTGH-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C)c(=O)cn1 ZINC001574753283 950517854 /nfs/dbraw/zinc/51/78/54/950517854.db2.gz DUUCIQCJQMSTGH-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C)c(=O)cn1 ZINC001574753287 950519834 /nfs/dbraw/zinc/51/98/34/950519834.db2.gz DUUCIQCJQMSTGH-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C)c(=O)cn1 ZINC001574753287 950519814 /nfs/dbraw/zinc/51/98/14/950519814.db2.gz DUUCIQCJQMSTGH-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cccc(=O)n1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574753354 950520915 /nfs/dbraw/zinc/52/09/15/950520915.db2.gz LDYQOPWJUHPHJU-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cccc(=O)n1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574753354 950520899 /nfs/dbraw/zinc/52/08/99/950520899.db2.gz LDYQOPWJUHPHJU-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cccc(=O)n1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574753355 950522554 /nfs/dbraw/zinc/52/25/54/950522554.db2.gz LDYQOPWJUHPHJU-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cccc(=O)n1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574753355 950522540 /nfs/dbraw/zinc/52/25/40/950522540.db2.gz LDYQOPWJUHPHJU-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574753362 950522520 /nfs/dbraw/zinc/52/25/20/950522520.db2.gz LLUIHYFMGBNPCH-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574753362 950522507 /nfs/dbraw/zinc/52/25/07/950522507.db2.gz LLUIHYFMGBNPCH-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574753363 950522193 /nfs/dbraw/zinc/52/21/93/950522193.db2.gz LLUIHYFMGBNPCH-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574753363 950522174 /nfs/dbraw/zinc/52/21/74/950522174.db2.gz LLUIHYFMGBNPCH-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574753499 950527636 /nfs/dbraw/zinc/52/76/36/950527636.db2.gz NVYSKWUIDMUNTO-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574753499 950527623 /nfs/dbraw/zinc/52/76/23/950527623.db2.gz NVYSKWUIDMUNTO-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574753500 950525529 /nfs/dbraw/zinc/52/55/29/950525529.db2.gz NVYSKWUIDMUNTO-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574753500 950525511 /nfs/dbraw/zinc/52/55/11/950525511.db2.gz NVYSKWUIDMUNTO-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574753511 950528736 /nfs/dbraw/zinc/52/87/36/950528736.db2.gz OEKARXOSTNLIMU-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574753511 950528720 /nfs/dbraw/zinc/52/87/20/950528720.db2.gz OEKARXOSTNLIMU-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574753512 950525872 /nfs/dbraw/zinc/52/58/72/950525872.db2.gz OEKARXOSTNLIMU-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574753512 950525858 /nfs/dbraw/zinc/52/58/58/950525858.db2.gz OEKARXOSTNLIMU-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cnn(C)n1 ZINC001574753630 950531073 /nfs/dbraw/zinc/53/10/73/950531073.db2.gz FXIAEKNCQVARDH-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cnn(C)n1 ZINC001574753630 950531049 /nfs/dbraw/zinc/53/10/49/950531049.db2.gz FXIAEKNCQVARDH-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cnn(C)n1 ZINC001574753631 950530186 /nfs/dbraw/zinc/53/01/86/950530186.db2.gz FXIAEKNCQVARDH-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cnn(C)n1 ZINC001574753631 950530169 /nfs/dbraw/zinc/53/01/69/950530169.db2.gz FXIAEKNCQVARDH-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cn(C)nn1 ZINC001574753709 950537199 /nfs/dbraw/zinc/53/71/99/950537199.db2.gz HDPPCCUNEYRSSL-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cn(C)nn1 ZINC001574753709 950537187 /nfs/dbraw/zinc/53/71/87/950537187.db2.gz HDPPCCUNEYRSSL-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCc1cn(C)nn1 ZINC001574753712 950539264 /nfs/dbraw/zinc/53/92/64/950539264.db2.gz HDPPCCUNEYRSSL-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCc1cn(C)nn1 ZINC001574753712 950539245 /nfs/dbraw/zinc/53/92/45/950539245.db2.gz HDPPCCUNEYRSSL-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574753878 950549127 /nfs/dbraw/zinc/54/91/27/950549127.db2.gz UQIGAICYZLURCS-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574753878 950549116 /nfs/dbraw/zinc/54/91/16/950549116.db2.gz UQIGAICYZLURCS-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574753879 950548727 /nfs/dbraw/zinc/54/87/27/950548727.db2.gz UQIGAICYZLURCS-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574753879 950548713 /nfs/dbraw/zinc/54/87/13/950548713.db2.gz UQIGAICYZLURCS-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC[C@@H]1CCCO1 ZINC001574753910 950550980 /nfs/dbraw/zinc/55/09/80/950550980.db2.gz HOAKOULGUAYZJM-NEPJUHHUSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC[C@@H]1CCCO1 ZINC001574753910 950550962 /nfs/dbraw/zinc/55/09/62/950550962.db2.gz HOAKOULGUAYZJM-NEPJUHHUSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC[C@H]1CCCO1 ZINC001574753911 950550182 /nfs/dbraw/zinc/55/01/82/950550182.db2.gz HOAKOULGUAYZJM-NWDGAFQWSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC[C@H]1CCCO1 ZINC001574753911 950550165 /nfs/dbraw/zinc/55/01/65/950550165.db2.gz HOAKOULGUAYZJM-NWDGAFQWSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC[C@@H]1CCCO1 ZINC001574753912 950551505 /nfs/dbraw/zinc/55/15/05/950551505.db2.gz HOAKOULGUAYZJM-RYUDHWBXSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC[C@@H]1CCCO1 ZINC001574753912 950551495 /nfs/dbraw/zinc/55/14/95/950551495.db2.gz HOAKOULGUAYZJM-RYUDHWBXSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC[C@H]1CCCO1 ZINC001574753913 950548529 /nfs/dbraw/zinc/54/85/29/950548529.db2.gz HOAKOULGUAYZJM-VXGBXAGGSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC[C@H]1CCCO1 ZINC001574753913 950548514 /nfs/dbraw/zinc/54/85/14/950548514.db2.gz HOAKOULGUAYZJM-VXGBXAGGSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CN1CCCNC1=O ZINC001574753922 950549219 /nfs/dbraw/zinc/54/92/19/950549219.db2.gz HURHNJOLOSOAOS-JTQLQIEISA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CN1CCCNC1=O ZINC001574753922 950549205 /nfs/dbraw/zinc/54/92/05/950549205.db2.gz HURHNJOLOSOAOS-JTQLQIEISA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CN1CCCNC1=O ZINC001574753923 950549264 /nfs/dbraw/zinc/54/92/64/950549264.db2.gz HURHNJOLOSOAOS-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CN1CCCNC1=O ZINC001574753923 950549252 /nfs/dbraw/zinc/54/92/52/950549252.db2.gz HURHNJOLOSOAOS-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CN1CCCCC1=O ZINC001574753968 950556088 /nfs/dbraw/zinc/55/60/88/950556088.db2.gz ITGRTQWZIGVDCM-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CN1CCCCC1=O ZINC001574753968 950556071 /nfs/dbraw/zinc/55/60/71/950556071.db2.gz ITGRTQWZIGVDCM-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CN1CCCCC1=O ZINC001574753969 950554743 /nfs/dbraw/zinc/55/47/43/950554743.db2.gz ITGRTQWZIGVDCM-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CN1CCCCC1=O ZINC001574753969 950554727 /nfs/dbraw/zinc/55/47/27/950554727.db2.gz ITGRTQWZIGVDCM-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574754036 950560922 /nfs/dbraw/zinc/56/09/22/950560922.db2.gz WECANQGGVJQQBX-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574754036 950560902 /nfs/dbraw/zinc/56/09/02/950560902.db2.gz WECANQGGVJQQBX-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574754037 950557634 /nfs/dbraw/zinc/55/76/34/950557634.db2.gz WECANQGGVJQQBX-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574754037 950557614 /nfs/dbraw/zinc/55/76/14/950557614.db2.gz WECANQGGVJQQBX-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574754120 950564257 /nfs/dbraw/zinc/56/42/57/950564257.db2.gz YCLGNSYVVWEPCI-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574754120 950564243 /nfs/dbraw/zinc/56/42/43/950564243.db2.gz YCLGNSYVVWEPCI-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574754121 950565404 /nfs/dbraw/zinc/56/54/04/950565404.db2.gz YCLGNSYVVWEPCI-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(=O)n(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574754121 950565388 /nfs/dbraw/zinc/56/53/88/950565388.db2.gz YCLGNSYVVWEPCI-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C)c(=O)n1C ZINC001574754247 950566568 /nfs/dbraw/zinc/56/65/68/950566568.db2.gz JRMGMZNFGJCSJE-SECBINFHSA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C)c(=O)n1C ZINC001574754247 950566549 /nfs/dbraw/zinc/56/65/49/950566549.db2.gz JRMGMZNFGJCSJE-SECBINFHSA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C)c(=O)n1C ZINC001574754248 950567732 /nfs/dbraw/zinc/56/77/32/950567732.db2.gz JRMGMZNFGJCSJE-VIFPVBQESA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C)c(=O)n1C ZINC001574754248 950567717 /nfs/dbraw/zinc/56/77/17/950567717.db2.gz JRMGMZNFGJCSJE-VIFPVBQESA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574754277 950568528 /nfs/dbraw/zinc/56/85/28/950568528.db2.gz KGGPNBDSDBVUSC-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574754277 950568510 /nfs/dbraw/zinc/56/85/10/950568510.db2.gz KGGPNBDSDBVUSC-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574754279 950567393 /nfs/dbraw/zinc/56/73/93/950567393.db2.gz KGGPNBDSDBVUSC-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574754279 950567373 /nfs/dbraw/zinc/56/73/73/950567373.db2.gz KGGPNBDSDBVUSC-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(=O)n(C)n1 ZINC001574754372 950567942 /nfs/dbraw/zinc/56/79/42/950567942.db2.gz KPJCNTCUFYNJDB-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(=O)n(C)n1 ZINC001574754372 950567933 /nfs/dbraw/zinc/56/79/33/950567933.db2.gz KPJCNTCUFYNJDB-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(=O)n(C)n1 ZINC001574754375 950567904 /nfs/dbraw/zinc/56/79/04/950567904.db2.gz KPJCNTCUFYNJDB-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(=O)n(C)n1 ZINC001574754375 950567889 /nfs/dbraw/zinc/56/78/89/950567889.db2.gz KPJCNTCUFYNJDB-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CO[C@@H]1CCOC1 ZINC001574754409 950574899 /nfs/dbraw/zinc/57/48/99/950574899.db2.gz KWHDITVNKICUOM-GHMZBOCLSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CO[C@@H]1CCOC1 ZINC001574754409 950574871 /nfs/dbraw/zinc/57/48/71/950574871.db2.gz KWHDITVNKICUOM-GHMZBOCLSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CO[C@H]1CCOC1 ZINC001574754410 950571360 /nfs/dbraw/zinc/57/13/60/950571360.db2.gz KWHDITVNKICUOM-MNOVXSKESA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CO[C@H]1CCOC1 ZINC001574754410 950571343 /nfs/dbraw/zinc/57/13/43/950571343.db2.gz KWHDITVNKICUOM-MNOVXSKESA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CO[C@H]1CCOC1 ZINC001574754411 950572454 /nfs/dbraw/zinc/57/24/54/950572454.db2.gz KWHDITVNKICUOM-QWRGUYRKSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CO[C@H]1CCOC1 ZINC001574754411 950572430 /nfs/dbraw/zinc/57/24/30/950572430.db2.gz KWHDITVNKICUOM-QWRGUYRKSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CO[C@@H]1CCOC1 ZINC001574754412 950573304 /nfs/dbraw/zinc/57/33/04/950573304.db2.gz KWHDITVNKICUOM-WDEREUQCSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CO[C@@H]1CCOC1 ZINC001574754412 950573294 /nfs/dbraw/zinc/57/32/94/950573294.db2.gz KWHDITVNKICUOM-WDEREUQCSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1OCCO[C@H]1C ZINC001574754544 950573654 /nfs/dbraw/zinc/57/36/54/950573654.db2.gz MIKPREQGWKNBOP-KWBADKCTSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1OCCO[C@H]1C ZINC001574754544 950573635 /nfs/dbraw/zinc/57/36/35/950573635.db2.gz MIKPREQGWKNBOP-KWBADKCTSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1OCCO[C@H]1C ZINC001574754545 950572115 /nfs/dbraw/zinc/57/21/15/950572115.db2.gz MIKPREQGWKNBOP-NRUUGDAUSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1OCCO[C@H]1C ZINC001574754545 950572096 /nfs/dbraw/zinc/57/20/96/950572096.db2.gz MIKPREQGWKNBOP-NRUUGDAUSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COc1cnn(C)c1 ZINC001574754572 950579817 /nfs/dbraw/zinc/57/98/17/950579817.db2.gz MVWWBNFZDNFPNV-JTQLQIEISA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COc1cnn(C)c1 ZINC001574754572 950579801 /nfs/dbraw/zinc/57/98/01/950579801.db2.gz MVWWBNFZDNFPNV-JTQLQIEISA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COc1cnn(C)c1 ZINC001574754575 950579168 /nfs/dbraw/zinc/57/91/68/950579168.db2.gz MVWWBNFZDNFPNV-SNVBAGLBSA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COc1cnn(C)c1 ZINC001574754575 950579157 /nfs/dbraw/zinc/57/91/57/950579157.db2.gz MVWWBNFZDNFPNV-SNVBAGLBSA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CN(C)C(=O)C1CC1 ZINC001574754590 950577998 /nfs/dbraw/zinc/57/79/98/950577998.db2.gz NILHHTWFQBUODI-JTQLQIEISA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CN(C)C(=O)C1CC1 ZINC001574754590 950577964 /nfs/dbraw/zinc/57/79/64/950577964.db2.gz NILHHTWFQBUODI-JTQLQIEISA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CN(C)C(=O)C1CC1 ZINC001574754591 950577870 /nfs/dbraw/zinc/57/78/70/950577870.db2.gz NILHHTWFQBUODI-SNVBAGLBSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CN(C)C(=O)C1CC1 ZINC001574754591 950577852 /nfs/dbraw/zinc/57/78/52/950577852.db2.gz NILHHTWFQBUODI-SNVBAGLBSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(=O)n(C)c1 ZINC001574754594 950579765 /nfs/dbraw/zinc/57/97/65/950579765.db2.gz NKWNFCOHFMNJKX-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(=O)n(C)c1 ZINC001574754594 950579741 /nfs/dbraw/zinc/57/97/41/950579741.db2.gz NKWNFCOHFMNJKX-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccc(=O)n(C)c1 ZINC001574754596 950577430 /nfs/dbraw/zinc/57/74/30/950577430.db2.gz NKWNFCOHFMNJKX-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccc(=O)n(C)c1 ZINC001574754596 950577415 /nfs/dbraw/zinc/57/74/15/950577415.db2.gz NKWNFCOHFMNJKX-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1ccccc1=O ZINC001574754759 950584477 /nfs/dbraw/zinc/58/44/77/950584477.db2.gz PNZFFHHMFSDNCU-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1ccccc1=O ZINC001574754759 950584457 /nfs/dbraw/zinc/58/44/57/950584457.db2.gz PNZFFHHMFSDNCU-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1ccccc1=O ZINC001574754760 950582770 /nfs/dbraw/zinc/58/27/70/950582770.db2.gz PNZFFHHMFSDNCU-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1ccccc1=O ZINC001574754760 950582757 /nfs/dbraw/zinc/58/27/57/950582757.db2.gz PNZFFHHMFSDNCU-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CNC(=O)C(C)(C)C ZINC001574754791 950586247 /nfs/dbraw/zinc/58/62/47/950586247.db2.gz QCTMRRPLLOAYMN-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CNC(=O)C(C)(C)C ZINC001574754791 950586239 /nfs/dbraw/zinc/58/62/39/950586239.db2.gz QCTMRRPLLOAYMN-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CNC(=O)C(C)(C)C ZINC001574754792 950588167 /nfs/dbraw/zinc/58/81/67/950588167.db2.gz QCTMRRPLLOAYMN-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CNC(=O)C(C)(C)C ZINC001574754792 950588145 /nfs/dbraw/zinc/58/81/45/950588145.db2.gz QCTMRRPLLOAYMN-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2n(n1)CCO2 ZINC001574754815 950587977 /nfs/dbraw/zinc/58/79/77/950587977.db2.gz QRNYIDYLJAKXIZ-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2n(n1)CCO2 ZINC001574754815 950587970 /nfs/dbraw/zinc/58/79/70/950587970.db2.gz QRNYIDYLJAKXIZ-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2n(n1)CCO2 ZINC001574754816 950585600 /nfs/dbraw/zinc/58/56/00/950585600.db2.gz QRNYIDYLJAKXIZ-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2n(n1)CCO2 ZINC001574754816 950585583 /nfs/dbraw/zinc/58/55/83/950585583.db2.gz QRNYIDYLJAKXIZ-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC[C@H]1CCOC1 ZINC001574755338 950595220 /nfs/dbraw/zinc/59/52/20/950595220.db2.gz VAOWSDXCFIWMJO-NEPJUHHUSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC[C@H]1CCOC1 ZINC001574755338 950595202 /nfs/dbraw/zinc/59/52/02/950595202.db2.gz VAOWSDXCFIWMJO-NEPJUHHUSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC[C@@H]1CCOC1 ZINC001574755339 950597249 /nfs/dbraw/zinc/59/72/49/950597249.db2.gz VAOWSDXCFIWMJO-NWDGAFQWSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC[C@@H]1CCOC1 ZINC001574755339 950597228 /nfs/dbraw/zinc/59/72/28/950597228.db2.gz VAOWSDXCFIWMJO-NWDGAFQWSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC[C@H]1CCOC1 ZINC001574755340 950596851 /nfs/dbraw/zinc/59/68/51/950596851.db2.gz VAOWSDXCFIWMJO-RYUDHWBXSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC[C@H]1CCOC1 ZINC001574755340 950596837 /nfs/dbraw/zinc/59/68/37/950596837.db2.gz VAOWSDXCFIWMJO-RYUDHWBXSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC[C@@H]1CCOC1 ZINC001574755341 950595585 /nfs/dbraw/zinc/59/55/85/950595585.db2.gz VAOWSDXCFIWMJO-VXGBXAGGSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC[C@@H]1CCOC1 ZINC001574755341 950595572 /nfs/dbraw/zinc/59/55/72/950595572.db2.gz VAOWSDXCFIWMJO-VXGBXAGGSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(=O)n(C)cn1 ZINC001574755744 950595862 /nfs/dbraw/zinc/59/58/62/950595862.db2.gz VCPZIMGJWLEPKV-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(=O)n(C)cn1 ZINC001574755744 950595853 /nfs/dbraw/zinc/59/58/53/950595853.db2.gz VCPZIMGJWLEPKV-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(=O)n(C)cn1 ZINC001574755745 950594280 /nfs/dbraw/zinc/59/42/80/950594280.db2.gz VCPZIMGJWLEPKV-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(=O)n(C)cn1 ZINC001574755745 950594258 /nfs/dbraw/zinc/59/42/58/950594258.db2.gz VCPZIMGJWLEPKV-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cccn(C)c1=O ZINC001574756264 950599604 /nfs/dbraw/zinc/59/96/04/950599604.db2.gz XXNGDVLDCJYAHZ-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cccn(C)c1=O ZINC001574756264 950599581 /nfs/dbraw/zinc/59/95/81/950599581.db2.gz XXNGDVLDCJYAHZ-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cccn(C)c1=O ZINC001574756265 950598931 /nfs/dbraw/zinc/59/89/31/950598931.db2.gz XXNGDVLDCJYAHZ-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cccn(C)c1=O ZINC001574756265 950598903 /nfs/dbraw/zinc/59/89/03/950598903.db2.gz XXNGDVLDCJYAHZ-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CNC(=O)C1CCC1 ZINC001574756272 950602867 /nfs/dbraw/zinc/60/28/67/950602867.db2.gz YFIPDFORHVKWCK-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CNC(=O)C1CCC1 ZINC001574756272 950602857 /nfs/dbraw/zinc/60/28/57/950602857.db2.gz YFIPDFORHVKWCK-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CNC(=O)C1CCC1 ZINC001574756273 950603981 /nfs/dbraw/zinc/60/39/81/950603981.db2.gz YFIPDFORHVKWCK-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CNC(=O)C1CCC1 ZINC001574756273 950603966 /nfs/dbraw/zinc/60/39/66/950603966.db2.gz YFIPDFORHVKWCK-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccn(C)c(=O)c1 ZINC001574756292 950602728 /nfs/dbraw/zinc/60/27/28/950602728.db2.gz YPGOMAOTWINTKK-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccn(C)c(=O)c1 ZINC001574756292 950602719 /nfs/dbraw/zinc/60/27/19/950602719.db2.gz YPGOMAOTWINTKK-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1ccn(C)c(=O)c1 ZINC001574756294 950605478 /nfs/dbraw/zinc/60/54/78/950605478.db2.gz YPGOMAOTWINTKK-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ccn(C)c(=O)c1 ZINC001574756294 950605459 /nfs/dbraw/zinc/60/54/59/950605459.db2.gz YPGOMAOTWINTKK-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C)ccc1=O ZINC001574756367 950605623 /nfs/dbraw/zinc/60/56/23/950605623.db2.gz ZILYHWKUKZOGAG-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C)ccc1=O ZINC001574756367 950605604 /nfs/dbraw/zinc/60/56/04/950605604.db2.gz ZILYHWKUKZOGAG-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(C)ccc1=O ZINC001574756369 950603209 /nfs/dbraw/zinc/60/32/09/950603209.db2.gz ZILYHWKUKZOGAG-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(C)ccc1=O ZINC001574756369 950603194 /nfs/dbraw/zinc/60/31/94/950603194.db2.gz ZILYHWKUKZOGAG-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccn(C)c(=O)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574758385 950609372 /nfs/dbraw/zinc/60/93/72/950609372.db2.gz BMMQEZPEPMVDMY-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccn(C)c(=O)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574758385 950609354 /nfs/dbraw/zinc/60/93/54/950609354.db2.gz BMMQEZPEPMVDMY-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccn(C)c(=O)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574758386 950608111 /nfs/dbraw/zinc/60/81/11/950608111.db2.gz BMMQEZPEPMVDMY-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccn(C)c(=O)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574758386 950608094 /nfs/dbraw/zinc/60/80/94/950608094.db2.gz BMMQEZPEPMVDMY-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccn(C)c(=O)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574758527 950611197 /nfs/dbraw/zinc/61/11/97/950611197.db2.gz CPSHZTSMLBOESK-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CN(C)C(=O)c1ccn(C)c(=O)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574758527 950611187 /nfs/dbraw/zinc/61/11/87/950611187.db2.gz CPSHZTSMLBOESK-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1ccn(C)c(=O)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574758528 950612863 /nfs/dbraw/zinc/61/28/63/950612863.db2.gz CPSHZTSMLBOESK-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM 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C[C@@H](CN(C)C(=O)c1cccn(C)c1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574759221 950631048 /nfs/dbraw/zinc/63/10/48/950631048.db2.gz LYVGWSWMFVUSSJ-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cccn(C)c1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574759223 950629613 /nfs/dbraw/zinc/62/96/13/950629613.db2.gz LYVGWSWMFVUSSJ-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cccn(C)c1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574759223 950629602 /nfs/dbraw/zinc/62/96/02/950629602.db2.gz LYVGWSWMFVUSSJ-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574759268 950634007 /nfs/dbraw/zinc/63/40/07/950634007.db2.gz ARJNROUYMXHEIC-SECBINFHSA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574759268 950633998 /nfs/dbraw/zinc/63/39/98/950633998.db2.gz ARJNROUYMXHEIC-SECBINFHSA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574759270 950633720 /nfs/dbraw/zinc/63/37/20/950633720.db2.gz ARJNROUYMXHEIC-VIFPVBQESA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574759270 950633709 /nfs/dbraw/zinc/63/37/09/950633709.db2.gz ARJNROUYMXHEIC-VIFPVBQESA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574759410 950640544 /nfs/dbraw/zinc/64/05/44/950640544.db2.gz CQOUJWINACTYRE-SECBINFHSA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574759410 950640534 /nfs/dbraw/zinc/64/05/34/950640534.db2.gz CQOUJWINACTYRE-SECBINFHSA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574759411 950639505 /nfs/dbraw/zinc/63/95/05/950639505.db2.gz CQOUJWINACTYRE-VIFPVBQESA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)n1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574759411 950639491 /nfs/dbraw/zinc/63/94/91/950639491.db2.gz CQOUJWINACTYRE-VIFPVBQESA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574759754 950645733 /nfs/dbraw/zinc/64/57/33/950645733.db2.gz DRRYBJVXWSVKST-SECBINFHSA-N -1 3 385.388 -0.366 20 0 GBADHM C[C@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574759754 950645722 /nfs/dbraw/zinc/64/57/22/950645722.db2.gz DRRYBJVXWSVKST-SECBINFHSA-N -1 3 385.388 -0.366 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574759756 950646420 /nfs/dbraw/zinc/64/64/20/950646420.db2.gz DRRYBJVXWSVKST-VIFPVBQESA-N -1 3 385.388 -0.366 20 0 GBADHM C[C@@H](CN(C)C(=O)c1cn(C)c(=O)[nH]c1=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574759756 950646407 /nfs/dbraw/zinc/64/64/07/950646407.db2.gz DRRYBJVXWSVKST-VIFPVBQESA-N -1 3 385.388 -0.366 20 0 GBADHM 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C[C@H](CN(C)CC(=O)NC[C@@H]1CCCO1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574765506 950793241 /nfs/dbraw/zinc/79/32/41/950793241.db2.gz DCJGXGDWOAMYPH-YPMHNXCESA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](CN(C)C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001574765508 950790944 /nfs/dbraw/zinc/79/09/44/950790944.db2.gz DCVXRAQIZUYGTD-GHMZBOCLSA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@H](CN(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001574765510 950791731 /nfs/dbraw/zinc/79/17/31/950791731.db2.gz DCVXRAQIZUYGTD-MNOVXSKESA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@@H](CN(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CS(C)(=O)=O ZINC001574765512 950792206 /nfs/dbraw/zinc/79/22/06/950792206.db2.gz DCVXRAQIZUYGTD-QWRGUYRKSA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@H](CN(C)C[C@H](C)CS(C)(=O)=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574765513 950790858 /nfs/dbraw/zinc/79/08/58/950790858.db2.gz DCVXRAQIZUYGTD-WDEREUQCSA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@H](CN(C)CC(=O)NC(=O)NC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765546 950793443 /nfs/dbraw/zinc/79/34/43/950793443.db2.gz DUGYVHMBDRVXGQ-SECBINFHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@H](CN(C)CC(=O)NC(=O)NC1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765546 950793430 /nfs/dbraw/zinc/79/34/30/950793430.db2.gz DUGYVHMBDRVXGQ-SECBINFHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](CN(C)CC(=O)NC(=O)NC1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765547 950794096 /nfs/dbraw/zinc/79/40/96/950794096.db2.gz DUGYVHMBDRVXGQ-VIFPVBQESA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](CN(C)CC(=O)NC(=O)NC1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765547 950794086 /nfs/dbraw/zinc/79/40/86/950794086.db2.gz DUGYVHMBDRVXGQ-VIFPVBQESA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@H](CN(C)CC(=O)NC1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765917 950803892 /nfs/dbraw/zinc/80/38/92/950803892.db2.gz GEBPGUNUODNSBB-LLVKDONJSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CN(C)CC(=O)NC1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574765918 950801692 /nfs/dbraw/zinc/80/16/92/950801692.db2.gz GEBPGUNUODNSBB-NSHDSACASA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](CN(C)CC(=O)N1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765924 950802708 /nfs/dbraw/zinc/80/27/08/950802708.db2.gz GGOVAKFMADDGPA-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@H](CN(C)CC(=O)N1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765924 950802687 /nfs/dbraw/zinc/80/26/87/950802687.db2.gz GGOVAKFMADDGPA-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CN(C)CC(=O)N1CCOCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574765925 950804075 /nfs/dbraw/zinc/80/40/75/950804075.db2.gz GGOVAKFMADDGPA-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CN(C)CC(=O)N1CCOCC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574765925 950804054 /nfs/dbraw/zinc/80/40/54/950804054.db2.gz GGOVAKFMADDGPA-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574766296 950810916 /nfs/dbraw/zinc/81/09/16/950810916.db2.gz METOCIQKEKUTOX-SECBINFHSA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574766296 950810904 /nfs/dbraw/zinc/81/09/04/950810904.db2.gz METOCIQKEKUTOX-SECBINFHSA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)[NH2+]Cc1ccccc1-c1nn[n-]n1 ZINC001574766301 950812252 /nfs/dbraw/zinc/81/22/52/950812252.db2.gz METOCIQKEKUTOX-VIFPVBQESA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@@H](CN(C)C(=O)c1n[nH]c(=O)[n-]c1=O)[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001574766301 950812232 /nfs/dbraw/zinc/81/22/32/950812232.db2.gz METOCIQKEKUTOX-VIFPVBQESA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@H](CN(C)CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766753 950823345 /nfs/dbraw/zinc/82/33/45/950823345.db2.gz KRGALCWCRVNCFE-NEPJUHHUSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](CN(C)CC(=O)N1CCO[C@H](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766759 950823548 /nfs/dbraw/zinc/82/35/48/950823548.db2.gz KRGALCWCRVNCFE-NWDGAFQWSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](CN(C)CC(=O)N1CCO[C@@H](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766765 950823896 /nfs/dbraw/zinc/82/38/96/950823896.db2.gz KRGALCWCRVNCFE-RYUDHWBXSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](CN(C)CC(=O)N1CCO[C@H](C)C1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766769 950825957 /nfs/dbraw/zinc/82/59/57/950825957.db2.gz KRGALCWCRVNCFE-VXGBXAGGSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](CN(C)CC(=O)NCC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766772 950825493 /nfs/dbraw/zinc/82/54/93/950825493.db2.gz KSVLMXNKIWCRDA-MRVPVSSYSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@@H](CN(C)CC(=O)NCC(F)(F)F)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574766773 950825744 /nfs/dbraw/zinc/82/57/44/950825744.db2.gz KSVLMXNKIWCRDA-QMMMGPOBSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@H](CN(C)CC(=O)NCC(F)(F)F)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574766801 950827641 /nfs/dbraw/zinc/82/76/41/950827641.db2.gz 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GBADHM C[C@H](CN(C)C(=O)c1nccnc1C(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574767281 950842268 /nfs/dbraw/zinc/84/22/68/950842268.db2.gz PKBWQFZHZJWGCU-SECBINFHSA-N -1 3 382.388 -0.277 20 0 GBADHM C[C@H](CN(C)C(=O)c1nccnc1C(N)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574767281 950842239 /nfs/dbraw/zinc/84/22/39/950842239.db2.gz PKBWQFZHZJWGCU-SECBINFHSA-N -1 3 382.388 -0.277 20 0 GBADHM C[C@@H](CN(C)C(=O)c1nccnc1C(N)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574767282 950844400 /nfs/dbraw/zinc/84/44/00/950844400.db2.gz PKBWQFZHZJWGCU-VIFPVBQESA-N -1 3 382.388 -0.277 20 0 GBADHM C[C@@H](CN(C)C(=O)c1nccnc1C(N)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574767282 950844376 /nfs/dbraw/zinc/84/43/76/950844376.db2.gz PKBWQFZHZJWGCU-VIFPVBQESA-N -1 3 382.388 -0.277 20 0 GBADHM C[C@H](CN(C)CC(=O)NC1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767388 950846559 /nfs/dbraw/zinc/84/65/59/950846559.db2.gz NIMFZZHPHMNFHM-LLVKDONJSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CN(C)CC(=O)NC1CCOCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574767389 950848864 /nfs/dbraw/zinc/84/88/64/950848864.db2.gz NIMFZZHPHMNFHM-NSHDSACASA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](CN(C)CC(=O)Nc1nncs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767402 950849950 /nfs/dbraw/zinc/84/99/50/950849950.db2.gz NSTJULWNQCVXOM-MRVPVSSYSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@H](CN(C)CC(=O)Nc1nncs1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574767402 950849931 /nfs/dbraw/zinc/84/99/31/950849931.db2.gz NSTJULWNQCVXOM-MRVPVSSYSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@@H](CN(C)CC(=O)Nc1nncs1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574767403 950849736 /nfs/dbraw/zinc/84/97/36/950849736.db2.gz NSTJULWNQCVXOM-QMMMGPOBSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@@H](CN(C)CC(=O)Nc1nncs1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574767403 950849718 /nfs/dbraw/zinc/84/97/18/950849718.db2.gz NSTJULWNQCVXOM-QMMMGPOBSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@H](CN(C)[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001574767405 950854777 /nfs/dbraw/zinc/85/47/77/950854777.db2.gz NTJVVEPYSFFCCM-GHMZBOCLSA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@H](CN(C)[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001574767405 950854757 /nfs/dbraw/zinc/85/47/57/950854757.db2.gz NTJVVEPYSFFCCM-GHMZBOCLSA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@H](CN(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001574767406 950854443 /nfs/dbraw/zinc/85/44/43/950854443.db2.gz NTJVVEPYSFFCCM-MNOVXSKESA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@H](CN(C)[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001574767406 950854430 /nfs/dbraw/zinc/85/44/30/950854430.db2.gz NTJVVEPYSFFCCM-MNOVXSKESA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@@H](CN(C)[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001574767408 950855918 /nfs/dbraw/zinc/85/59/18/950855918.db2.gz NTJVVEPYSFFCCM-QWRGUYRKSA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@@H](CN(C)[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001574767408 950855899 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/nfs/dbraw/zinc/88/01/97/950880197.db2.gz SNTITKNWUSWSJC-VXGBXAGGSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](CN(C)C[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001574768283 950885951 /nfs/dbraw/zinc/88/59/51/950885951.db2.gz SVEJNDZNPSHCSP-GHMZBOCLSA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@H](CN(C)C[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001574768283 950885930 /nfs/dbraw/zinc/88/59/30/950885930.db2.gz SVEJNDZNPSHCSP-GHMZBOCLSA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@H](CN(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001574768284 950886968 /nfs/dbraw/zinc/88/69/68/950886968.db2.gz SVEJNDZNPSHCSP-MNOVXSKESA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@H](CN(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001574768284 950886950 /nfs/dbraw/zinc/88/69/50/950886950.db2.gz SVEJNDZNPSHCSP-MNOVXSKESA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@@H](CN(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001574768285 950882713 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UARBBMHNZRXMGI-VIFPVBQESA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@H](CN(C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574768675 950893480 /nfs/dbraw/zinc/89/34/80/950893480.db2.gz VCWIDWJGJHXKMG-NEPJUHHUSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@@H](CN(C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574768676 950894527 /nfs/dbraw/zinc/89/45/27/950894527.db2.gz VCWIDWJGJHXKMG-NWDGAFQWSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@@H](CN(C)CC(=O)NC[C@@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574768677 950893291 /nfs/dbraw/zinc/89/32/91/950893291.db2.gz VCWIDWJGJHXKMG-RYUDHWBXSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CN(C)CC(=O)NC[C@H]1CCOC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574768678 950894925 /nfs/dbraw/zinc/89/49/25/950894925.db2.gz VCWIDWJGJHXKMG-VXGBXAGGSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CN(C)CC(=O)Nc1nncs1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574768687 950902267 /nfs/dbraw/zinc/90/22/67/950902267.db2.gz VGHXXBKFLYBPAF-MRVPVSSYSA-N -1 3 390.433 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C[C@@H](CN(C)CC(=O)Nc1nncs1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574768738 950899882 /nfs/dbraw/zinc/89/98/82/950899882.db2.gz WGPKNUJOJQQXQE-QMMMGPOBSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@@H](CN(C)CC(=O)Nc1nncs1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574768738 950899865 /nfs/dbraw/zinc/89/98/65/950899865.db2.gz WGPKNUJOJQQXQE-QMMMGPOBSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@H](CN(C)CC(=O)N1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574768741 950901615 /nfs/dbraw/zinc/90/16/15/950901615.db2.gz WLGIRQINBXHQIJ-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CN(C)CC(=O)N1CCOCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574768742 950900304 /nfs/dbraw/zinc/90/03/04/950900304.db2.gz WLGIRQINBXHQIJ-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CN(C)CC(=O)Nc1cnccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574768942 950906322 /nfs/dbraw/zinc/90/63/22/950906322.db2.gz XYLNDYTZQXXLOG-JTQLQIEISA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@@H](CN(C)CC(=O)Nc1cnccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574768942 950906301 /nfs/dbraw/zinc/90/63/01/950906301.db2.gz XYLNDYTZQXXLOG-JTQLQIEISA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@H](CN(C)CC(=O)Nc1cnccn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574768943 950905354 /nfs/dbraw/zinc/90/53/54/950905354.db2.gz XYLNDYTZQXXLOG-SNVBAGLBSA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@H](CN(C)CC(=O)Nc1cnccn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574768943 950905341 /nfs/dbraw/zinc/90/53/41/950905341.db2.gz XYLNDYTZQXXLOG-SNVBAGLBSA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@H](CN(C)[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001574768951 950906643 /nfs/dbraw/zinc/90/66/43/950906643.db2.gz YHQMYOVZLFFBEP-GHMZBOCLSA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@H](CN(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001574768952 950904601 /nfs/dbraw/zinc/90/46/01/950904601.db2.gz YHQMYOVZLFFBEP-MNOVXSKESA-N -1 3 383.478 -0.074 20 0 GBADHM C[C@@H](CN(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001574768953 950906548 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/nfs/dbraw/zinc/94/87/32/950948732.db2.gz NSCHWNGOXUEGMZ-GHMZBOCLSA-N -1 3 381.462 -0.320 20 0 GBADHM C[C@H](CN(C)C[C@H]1CCS(=O)(=O)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574771959 950948718 /nfs/dbraw/zinc/94/87/18/950948718.db2.gz NSCHWNGOXUEGMZ-GHMZBOCLSA-N -1 3 381.462 -0.320 20 0 GBADHM C[C@H](CN(C)C[C@@H]1CCS(=O)(=O)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574771960 950946096 /nfs/dbraw/zinc/94/60/96/950946096.db2.gz NSCHWNGOXUEGMZ-MNOVXSKESA-N -1 3 381.462 -0.320 20 0 GBADHM C[C@H](CN(C)C[C@@H]1CCS(=O)(=O)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574771960 950946077 /nfs/dbraw/zinc/94/60/77/950946077.db2.gz NSCHWNGOXUEGMZ-MNOVXSKESA-N -1 3 381.462 -0.320 20 0 GBADHM C[C@@H](CN(C)C[C@@H]1CCS(=O)(=O)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574771961 950947667 /nfs/dbraw/zinc/94/76/67/950947667.db2.gz NSCHWNGOXUEGMZ-QWRGUYRKSA-N -1 3 381.462 -0.320 20 0 GBADHM C[C@@H](CN(C)C[C@@H]1CCS(=O)(=O)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574771961 950947650 /nfs/dbraw/zinc/94/76/50/950947650.db2.gz NSCHWNGOXUEGMZ-QWRGUYRKSA-N -1 3 381.462 -0.320 20 0 GBADHM C[C@@H](CN(C)C[C@H]1CCS(=O)(=O)C1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574771962 950948514 /nfs/dbraw/zinc/94/85/14/950948514.db2.gz NSCHWNGOXUEGMZ-WDEREUQCSA-N -1 3 381.462 -0.320 20 0 GBADHM C[C@@H](CN(C)C[C@H]1CCS(=O)(=O)C1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574771962 950948495 /nfs/dbraw/zinc/94/84/95/950948495.db2.gz NSCHWNGOXUEGMZ-WDEREUQCSA-N -1 3 381.462 -0.320 20 0 GBADHM C[C@@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)CS(C)(=O)=O ZINC001574771993 950951073 /nfs/dbraw/zinc/95/10/73/950951073.db2.gz OFEGCWMMSBZPCW-JTQLQIEISA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](CN(C)Cc1cc(-c2nn[n-]n2)ccc1F)NC(=O)CS(C)(=O)=O ZINC001574771994 950951914 /nfs/dbraw/zinc/95/19/14/950951914.db2.gz OFEGCWMMSBZPCW-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](CN(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001574772677 950973502 /nfs/dbraw/zinc/97/35/02/950973502.db2.gz UEDJSDVEFHBVJS-LLVKDONJSA-N -1 3 383.478 -0.121 20 0 GBADHM C[C@H](CN(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001574772677 950973485 /nfs/dbraw/zinc/97/34/85/950973485.db2.gz UEDJSDVEFHBVJS-LLVKDONJSA-N -1 3 383.478 -0.121 20 0 GBADHM C[C@@H](CN(C)CCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1)CS(C)(=O)=O ZINC001574772679 950977446 /nfs/dbraw/zinc/97/74/46/950977446.db2.gz UEDJSDVEFHBVJS-NSHDSACASA-N -1 3 383.478 -0.121 20 0 GBADHM C[C@@H](CN(C)CCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1)CS(C)(=O)=O ZINC001574772679 950977426 /nfs/dbraw/zinc/97/74/26/950977426.db2.gz UEDJSDVEFHBVJS-NSHDSACASA-N -1 3 383.478 -0.121 20 0 GBADHM C[C@H](CN(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001574773288 950986566 /nfs/dbraw/zinc/98/65/66/950986566.db2.gz WRJNIGIUNQTCKT-LLVKDONJSA-N -1 3 383.478 -0.121 20 0 GBADHM C[C@H](CN(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)CS(C)(=O)=O ZINC001574773288 950986551 /nfs/dbraw/zinc/98/65/51/950986551.db2.gz WRJNIGIUNQTCKT-LLVKDONJSA-N -1 3 383.478 -0.121 20 0 GBADHM C[C@@H](CN(C)CCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1)CS(C)(=O)=O ZINC001574773289 950986172 /nfs/dbraw/zinc/98/61/72/950986172.db2.gz WRJNIGIUNQTCKT-NSHDSACASA-N -1 3 383.478 -0.121 20 0 GBADHM C[C@@H](CN(C)CCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1)CS(C)(=O)=O ZINC001574773289 950986159 /nfs/dbraw/zinc/98/61/59/950986159.db2.gz WRJNIGIUNQTCKT-NSHDSACASA-N -1 3 383.478 -0.121 20 0 GBADHM C[C@@H](CN(C)CCN(C)S(C)(=O)=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574773717 950991527 /nfs/dbraw/zinc/99/15/27/950991527.db2.gz YTYOHKDLVYSPQB-JTQLQIEISA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@H](CN(C)CCN(C)S(C)(=O)=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574773718 950993982 /nfs/dbraw/zinc/99/39/82/950993982.db2.gz YTYOHKDLVYSPQB-SNVBAGLBSA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@@H](CN(C)CCN(C)S(C)(=O)=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574773753 950991460 /nfs/dbraw/zinc/99/14/60/950991460.db2.gz ZRECXZJSCWZWPQ-JTQLQIEISA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@@H](CN(C)CCN(C)S(C)(=O)=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574773753 950991450 /nfs/dbraw/zinc/99/14/50/950991450.db2.gz ZRECXZJSCWZWPQ-JTQLQIEISA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@H](CN(C)CCN(C)S(C)(=O)=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574773754 950994195 /nfs/dbraw/zinc/99/41/95/950994195.db2.gz ZRECXZJSCWZWPQ-SNVBAGLBSA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@H](CN(C)CCN(C)S(C)(=O)=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574773754 950994178 /nfs/dbraw/zinc/99/41/78/950994178.db2.gz ZRECXZJSCWZWPQ-SNVBAGLBSA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncccc1-c1nn[n-]n1 ZINC001574915052 948760248 /nfs/dbraw/zinc/76/02/48/948760248.db2.gz PRMGXTAYHTZCLR-LOWVWBTDSA-N -1 3 388.432 -0.009 20 0 GBADHM C[C@@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncccc1-c1nnn[n-]1 ZINC001574915052 948760236 /nfs/dbraw/zinc/76/02/36/948760236.db2.gz PRMGXTAYHTZCLR-LOWVWBTDSA-N -1 3 388.432 -0.009 20 0 GBADHM C[C@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncccc1-c1nn[n-]n1 ZINC001574915054 948761221 /nfs/dbraw/zinc/76/12/21/948761221.db2.gz PRMGXTAYHTZCLR-WZRBSPASSA-N -1 3 388.432 -0.009 20 0 GBADHM C[C@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncccc1-c1nnn[n-]1 ZINC001574915054 948761209 /nfs/dbraw/zinc/76/12/09/948761209.db2.gz PRMGXTAYHTZCLR-WZRBSPASSA-N -1 3 388.432 -0.009 20 0 GBADHM C[C@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574915429 948763542 /nfs/dbraw/zinc/76/35/42/948763542.db2.gz TYMKCWOHBAZQHW-RTXFEEFZSA-N -1 3 388.432 -0.009 20 0 GBADHM C[C@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574915429 948763532 /nfs/dbraw/zinc/76/35/32/948763532.db2.gz TYMKCWOHBAZQHW-RTXFEEFZSA-N -1 3 388.432 -0.009 20 0 GBADHM C[C@@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574915430 948764130 /nfs/dbraw/zinc/76/41/30/948764130.db2.gz TYMKCWOHBAZQHW-UHTWSYAYSA-N -1 3 388.432 -0.009 20 0 GBADHM C[C@@H](CNC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574915430 948764119 /nfs/dbraw/zinc/76/41/19/948764119.db2.gz TYMKCWOHBAZQHW-UHTWSYAYSA-N -1 3 388.432 -0.009 20 0 GBADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574916937 948798632 /nfs/dbraw/zinc/79/86/32/948798632.db2.gz MRSBVQSVILBNQS-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574916937 948798624 /nfs/dbraw/zinc/79/86/24/948798624.db2.gz MRSBVQSVILBNQS-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)CCc1cn(C)nn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574916938 948797048 /nfs/dbraw/zinc/79/70/48/948797048.db2.gz MRSBVQSVILBNQS-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)CCc1cn(C)nn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574916938 948797034 /nfs/dbraw/zinc/79/70/34/948797034.db2.gz MRSBVQSVILBNQS-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917023 948801758 /nfs/dbraw/zinc/80/17/58/948801758.db2.gz PADFSBFDHYKYAV-JTQLQIEISA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917023 948801750 /nfs/dbraw/zinc/80/17/50/948801750.db2.gz PADFSBFDHYKYAV-JTQLQIEISA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@H](CNC(=O)CCc1cn(C)nn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574917024 948800769 /nfs/dbraw/zinc/80/07/69/948800769.db2.gz PADFSBFDHYKYAV-SNVBAGLBSA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@H](CNC(=O)CCc1cn(C)nn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574917024 948800755 /nfs/dbraw/zinc/80/07/55/948800755.db2.gz PADFSBFDHYKYAV-SNVBAGLBSA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917093 948805905 /nfs/dbraw/zinc/80/59/05/948805905.db2.gz QQZAGSGJVGWECA-JTQLQIEISA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917093 948805885 /nfs/dbraw/zinc/80/58/85/948805885.db2.gz QQZAGSGJVGWECA-JTQLQIEISA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@H](CNC(=O)CCc1cn(C)nn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574917094 948805786 /nfs/dbraw/zinc/80/57/86/948805786.db2.gz QQZAGSGJVGWECA-SNVBAGLBSA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@H](CNC(=O)CCc1cn(C)nn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574917094 948805767 /nfs/dbraw/zinc/80/57/67/948805767.db2.gz QQZAGSGJVGWECA-SNVBAGLBSA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917140 948808277 /nfs/dbraw/zinc/80/82/77/948808277.db2.gz RXWACEVRZZQGKT-JTQLQIEISA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@@H](CNC(=O)CCc1cn(C)nn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917140 948808261 /nfs/dbraw/zinc/80/82/61/948808261.db2.gz RXWACEVRZZQGKT-JTQLQIEISA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@H](CNC(=O)CCc1cn(C)nn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917141 948807011 /nfs/dbraw/zinc/80/70/11/948807011.db2.gz RXWACEVRZZQGKT-SNVBAGLBSA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@H](CNC(=O)CCc1cn(C)nn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917141 948806995 /nfs/dbraw/zinc/80/69/95/948806995.db2.gz RXWACEVRZZQGKT-SNVBAGLBSA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@H](CNC(=O)CCCS(N)(=O)=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574917736 948823631 /nfs/dbraw/zinc/82/36/31/948823631.db2.gz AERSRZRWXZGCFA-JTQLQIEISA-N -1 3 382.450 -0.505 20 0 GBADHM C[C@H](CNC(=O)CCCS(N)(=O)=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574917736 948823617 /nfs/dbraw/zinc/82/36/17/948823617.db2.gz AERSRZRWXZGCFA-JTQLQIEISA-N -1 3 382.450 -0.505 20 0 GBADHM C[C@@H](CNC(=O)CCCS(N)(=O)=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574917737 948822303 /nfs/dbraw/zinc/82/23/03/948822303.db2.gz AERSRZRWXZGCFA-SNVBAGLBSA-N -1 3 382.450 -0.505 20 0 GBADHM C[C@@H](CNC(=O)CCCS(N)(=O)=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574917737 948822289 /nfs/dbraw/zinc/82/22/89/948822289.db2.gz AERSRZRWXZGCFA-SNVBAGLBSA-N -1 3 382.450 -0.505 20 0 GBADHM C[C@@H](CNC(=O)CCCS(N)(=O)=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574917740 948825466 /nfs/dbraw/zinc/82/54/66/948825466.db2.gz AKMZYCVQYCZMOE-JTQLQIEISA-N -1 3 382.450 -0.505 20 0 GBADHM C[C@@H](CNC(=O)CCCS(N)(=O)=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574917740 948825454 /nfs/dbraw/zinc/82/54/54/948825454.db2.gz AKMZYCVQYCZMOE-JTQLQIEISA-N -1 3 382.450 -0.505 20 0 GBADHM C[C@H](CNC(=O)CCCS(N)(=O)=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574917741 948825139 /nfs/dbraw/zinc/82/51/39/948825139.db2.gz AKMZYCVQYCZMOE-SNVBAGLBSA-N -1 3 382.450 -0.505 20 0 GBADHM C[C@H](CNC(=O)CCCS(N)(=O)=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574917741 948825125 /nfs/dbraw/zinc/82/51/25/948825125.db2.gz AKMZYCVQYCZMOE-SNVBAGLBSA-N -1 3 382.450 -0.505 20 0 GBADHM C[C@H](CNC(=O)CCCS(N)(=O)=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574917788 948828292 /nfs/dbraw/zinc/82/82/92/948828292.db2.gz BNPJBRRUJJPJMX-JTQLQIEISA-N -1 3 382.450 -0.505 20 0 GBADHM C[C@H](CNC(=O)CCCS(N)(=O)=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574917788 948828278 /nfs/dbraw/zinc/82/82/78/948828278.db2.gz BNPJBRRUJJPJMX-JTQLQIEISA-N -1 3 382.450 -0.505 20 0 GBADHM C[C@@H](CNC(=O)CCCS(N)(=O)=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574917789 948828402 /nfs/dbraw/zinc/82/84/02/948828402.db2.gz BNPJBRRUJJPJMX-SNVBAGLBSA-N -1 3 382.450 -0.505 20 0 GBADHM C[C@@H](CNC(=O)CCCS(N)(=O)=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574917789 948828391 /nfs/dbraw/zinc/82/83/91/948828391.db2.gz BNPJBRRUJJPJMX-SNVBAGLBSA-N -1 3 382.450 -0.505 20 0 GBADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917932 948826953 /nfs/dbraw/zinc/82/69/53/948826953.db2.gz CRYNBMYHAAZYSH-SECBINFHSA-N -1 3 383.434 -0.746 20 0 GBADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917932 948826934 /nfs/dbraw/zinc/82/69/34/948826934.db2.gz CRYNBMYHAAZYSH-SECBINFHSA-N -1 3 383.434 -0.746 20 0 GBADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574917933 948829065 /nfs/dbraw/zinc/82/90/65/948829065.db2.gz CRYNBMYHAAZYSH-VIFPVBQESA-N -1 3 383.434 -0.746 20 0 GBADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574917933 948829056 /nfs/dbraw/zinc/82/90/56/948829056.db2.gz CRYNBMYHAAZYSH-VIFPVBQESA-N -1 3 383.434 -0.746 20 0 GBADHM C[C@H](CNC(=O)CCCn1cncn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574918002 948830399 /nfs/dbraw/zinc/83/03/99/948830399.db2.gz FKJQTFIEPYNSIA-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CNC(=O)CCCn1cncn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574918002 948830380 /nfs/dbraw/zinc/83/03/80/948830380.db2.gz FKJQTFIEPYNSIA-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)CCCn1cncn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574918003 948833939 /nfs/dbraw/zinc/83/39/39/948833939.db2.gz FKJQTFIEPYNSIA-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)CCCn1cncn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574918003 948833923 /nfs/dbraw/zinc/83/39/23/948833923.db2.gz FKJQTFIEPYNSIA-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CNC(=O)CCCS(N)(=O)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574918140 948838298 /nfs/dbraw/zinc/83/82/98/948838298.db2.gz GHMAXARKVXMQOR-SECBINFHSA-N -1 3 385.425 -0.009 20 0 GBADHM C[C@H](CNC(=O)CCCS(N)(=O)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574918140 948838285 /nfs/dbraw/zinc/83/82/85/948838285.db2.gz GHMAXARKVXMQOR-SECBINFHSA-N -1 3 385.425 -0.009 20 0 GBADHM C[C@@H](CNC(=O)CCCS(N)(=O)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574918141 948838528 /nfs/dbraw/zinc/83/85/28/948838528.db2.gz GHMAXARKVXMQOR-VIFPVBQESA-N -1 3 385.425 -0.009 20 0 GBADHM C[C@@H](CNC(=O)CCCS(N)(=O)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574918141 948838515 /nfs/dbraw/zinc/83/85/15/948838515.db2.gz GHMAXARKVXMQOR-VIFPVBQESA-N -1 3 385.425 -0.009 20 0 GBADHM C[C@H](CNC(=O)CCCn1ccnn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918489 948846061 /nfs/dbraw/zinc/84/60/61/948846061.db2.gz LMOLMCYSVYMBQF-LLVKDONJSA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@H](CNC(=O)CCCn1ccnn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918489 948846047 /nfs/dbraw/zinc/84/60/47/948846047.db2.gz LMOLMCYSVYMBQF-LLVKDONJSA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCn1ccnn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918490 948843855 /nfs/dbraw/zinc/84/38/55/948843855.db2.gz LMOLMCYSVYMBQF-NSHDSACASA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCn1ccnn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918490 948843838 /nfs/dbraw/zinc/84/38/38/948843838.db2.gz LMOLMCYSVYMBQF-NSHDSACASA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@H](CNC(=O)CCCn1cncn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918537 948849413 /nfs/dbraw/zinc/84/94/13/948849413.db2.gz MVZJSPYHJXFAKM-LLVKDONJSA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@H](CNC(=O)CCCn1cncn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918537 948849400 /nfs/dbraw/zinc/84/94/00/948849400.db2.gz MVZJSPYHJXFAKM-LLVKDONJSA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCn1cncn1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918538 948850303 /nfs/dbraw/zinc/85/03/03/948850303.db2.gz MVZJSPYHJXFAKM-NSHDSACASA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCn1cncn1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918538 948850280 /nfs/dbraw/zinc/85/02/80/948850280.db2.gz MVZJSPYHJXFAKM-NSHDSACASA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@H](CNC(=O)CCCn1ccnn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574918559 948848748 /nfs/dbraw/zinc/84/87/48/948848748.db2.gz NLUUGFQXIYLOLT-LLVKDONJSA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@H](CNC(=O)CCCn1ccnn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574918559 948848732 /nfs/dbraw/zinc/84/87/32/948848732.db2.gz NLUUGFQXIYLOLT-LLVKDONJSA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCn1ccnn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574918560 948850085 /nfs/dbraw/zinc/85/00/85/948850085.db2.gz NLUUGFQXIYLOLT-NSHDSACASA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCn1ccnn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574918560 948850067 /nfs/dbraw/zinc/85/00/67/948850067.db2.gz NLUUGFQXIYLOLT-NSHDSACASA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@H](CNC(=O)CCCn1cncn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574918779 948860207 /nfs/dbraw/zinc/86/02/07/948860207.db2.gz QEEIYEHKTIBLIW-LLVKDONJSA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@H](CNC(=O)CCCn1cncn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574918779 948860184 /nfs/dbraw/zinc/86/01/84/948860184.db2.gz QEEIYEHKTIBLIW-LLVKDONJSA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCn1cncn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574918780 948857563 /nfs/dbraw/zinc/85/75/63/948857563.db2.gz QEEIYEHKTIBLIW-NSHDSACASA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCn1cncn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574918780 948857549 /nfs/dbraw/zinc/85/75/49/948857549.db2.gz QEEIYEHKTIBLIW-NSHDSACASA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@H](CNC(=O)CCCn1cncn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918825 948857213 /nfs/dbraw/zinc/85/72/13/948857213.db2.gz RFOALTAVONRDGZ-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CNC(=O)CCCn1cncn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918825 948857193 /nfs/dbraw/zinc/85/71/93/948857193.db2.gz RFOALTAVONRDGZ-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)CCCn1cncn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918826 948859598 /nfs/dbraw/zinc/85/95/98/948859598.db2.gz RFOALTAVONRDGZ-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)CCCn1cncn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918826 948859580 /nfs/dbraw/zinc/85/95/80/948859580.db2.gz RFOALTAVONRDGZ-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918981 948865110 /nfs/dbraw/zinc/86/51/10/948865110.db2.gz SQGKAMLQBOOSRD-SECBINFHSA-N -1 3 383.434 -0.746 20 0 GBADHM C[C@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918981 948865093 /nfs/dbraw/zinc/86/50/93/948865093.db2.gz SQGKAMLQBOOSRD-SECBINFHSA-N -1 3 383.434 -0.746 20 0 GBADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574918982 948862852 /nfs/dbraw/zinc/86/28/52/948862852.db2.gz SQGKAMLQBOOSRD-VIFPVBQESA-N -1 3 383.434 -0.746 20 0 GBADHM C[C@@H](CNC(=O)CCCS(C)(=O)=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574918982 948862835 /nfs/dbraw/zinc/86/28/35/948862835.db2.gz SQGKAMLQBOOSRD-VIFPVBQESA-N -1 3 383.434 -0.746 20 0 GBADHM C[C@H](CNC(=O)CCCn1cncn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574919053 948869614 /nfs/dbraw/zinc/86/96/14/948869614.db2.gz VIEZDNOUIWMNMK-LLVKDONJSA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@H](CNC(=O)CCCn1cncn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574919053 948869602 /nfs/dbraw/zinc/86/96/02/948869602.db2.gz VIEZDNOUIWMNMK-LLVKDONJSA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCn1cncn1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574919054 948867644 /nfs/dbraw/zinc/86/76/44/948867644.db2.gz VIEZDNOUIWMNMK-NSHDSACASA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCn1cncn1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574919054 948867613 /nfs/dbraw/zinc/86/76/13/948867613.db2.gz VIEZDNOUIWMNMK-NSHDSACASA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCS(N)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574919167 948869951 /nfs/dbraw/zinc/86/99/51/948869951.db2.gz VOWMNDNNWOFQOE-JTQLQIEISA-N -1 3 382.450 -0.729 20 0 GBADHM C[C@@H](CNC(=O)CCCS(N)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574919167 948869936 /nfs/dbraw/zinc/86/99/36/948869936.db2.gz VOWMNDNNWOFQOE-JTQLQIEISA-N -1 3 382.450 -0.729 20 0 GBADHM C[C@H](CNC(=O)CCCS(N)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574919168 948870050 /nfs/dbraw/zinc/87/00/50/948870050.db2.gz VOWMNDNNWOFQOE-SNVBAGLBSA-N -1 3 382.450 -0.729 20 0 GBADHM C[C@H](CNC(=O)CCCS(N)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574919168 948870031 /nfs/dbraw/zinc/87/00/31/948870031.db2.gz VOWMNDNNWOFQOE-SNVBAGLBSA-N -1 3 382.450 -0.729 20 0 GBADHM C[C@@H](CNC(=O)CCCNC(=O)C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574919241 948872732 /nfs/dbraw/zinc/87/27/32/948872732.db2.gz XCTZFBDHRWAWKH-JTQLQIEISA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@@H](CNC(=O)CCCNC(=O)C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574919241 948872719 /nfs/dbraw/zinc/87/27/19/948872719.db2.gz XCTZFBDHRWAWKH-JTQLQIEISA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@H](CNC(=O)CCCNC(=O)C1CC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574919242 948871065 /nfs/dbraw/zinc/87/10/65/948871065.db2.gz XCTZFBDHRWAWKH-SNVBAGLBSA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@H](CNC(=O)CCCNC(=O)C1CC1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574919242 948871044 /nfs/dbraw/zinc/87/10/44/948871044.db2.gz XCTZFBDHRWAWKH-SNVBAGLBSA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@H](CNC(=O)CCCn1ccnn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574919369 948872521 /nfs/dbraw/zinc/87/25/21/948872521.db2.gz XSAWORHYJKDYFG-LLVKDONJSA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@H](CNC(=O)CCCn1ccnn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574919369 948872509 /nfs/dbraw/zinc/87/25/09/948872509.db2.gz XSAWORHYJKDYFG-LLVKDONJSA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCn1ccnn1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574919370 948873582 /nfs/dbraw/zinc/87/35/82/948873582.db2.gz XSAWORHYJKDYFG-NSHDSACASA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCn1ccnn1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574919370 948873564 /nfs/dbraw/zinc/87/35/64/948873564.db2.gz XSAWORHYJKDYFG-NSHDSACASA-N -1 3 386.420 -0.251 20 0 GBADHM C[C@@H](CNC(=O)CCCS(N)(=O)=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574919391 948876389 /nfs/dbraw/zinc/87/63/89/948876389.db2.gz YJNQUXWWBLYOLI-JTQLQIEISA-N -1 3 382.450 -0.729 20 0 GBADHM C[C@@H](CNC(=O)CCCS(N)(=O)=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574919391 948876369 /nfs/dbraw/zinc/87/63/69/948876369.db2.gz YJNQUXWWBLYOLI-JTQLQIEISA-N -1 3 382.450 -0.729 20 0 GBADHM C[C@H](CNC(=O)CCCS(N)(=O)=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574919392 948879474 /nfs/dbraw/zinc/87/94/74/948879474.db2.gz YJNQUXWWBLYOLI-SNVBAGLBSA-N -1 3 382.450 -0.729 20 0 GBADHM C[C@H](CNC(=O)CCCS(N)(=O)=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574919392 948879463 /nfs/dbraw/zinc/87/94/63/948879463.db2.gz YJNQUXWWBLYOLI-SNVBAGLBSA-N -1 3 382.450 -0.729 20 0 GBADHM C[C@@H](CNC(=O)CCc1cnn(C)n1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920262 948896171 /nfs/dbraw/zinc/89/61/71/948896171.db2.gz HBRWAVZVXHKIMM-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CNC(=O)CCc1cnn(C)n1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920262 948896160 /nfs/dbraw/zinc/89/61/60/948896160.db2.gz HBRWAVZVXHKIMM-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)CCc1cnn(C)n1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920263 948895527 /nfs/dbraw/zinc/89/55/27/948895527.db2.gz HBRWAVZVXHKIMM-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)CCc1cnn(C)n1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920263 948895514 /nfs/dbraw/zinc/89/55/14/948895514.db2.gz HBRWAVZVXHKIMM-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CNC(=O)CCc1cnn(C)n1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920404 948903449 /nfs/dbraw/zinc/90/34/49/948903449.db2.gz KKCYYYZWWZACNC-JTQLQIEISA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@@H](CNC(=O)CCc1cnn(C)n1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920404 948903435 /nfs/dbraw/zinc/90/34/35/948903435.db2.gz KKCYYYZWWZACNC-JTQLQIEISA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@H](CNC(=O)CCc1cnn(C)n1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574920405 948902328 /nfs/dbraw/zinc/90/23/28/948902328.db2.gz KKCYYYZWWZACNC-SNVBAGLBSA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@H](CNC(=O)CCc1cnn(C)n1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574920405 948902302 /nfs/dbraw/zinc/90/23/02/948902302.db2.gz KKCYYYZWWZACNC-SNVBAGLBSA-N -1 3 386.420 -0.562 20 0 GBADHM C[C@@H](CNC(=O)CCc1cnn(C)n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920606 948905179 /nfs/dbraw/zinc/90/51/79/948905179.db2.gz MWEVHPLAPDIYIH-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CNC(=O)CCc1cnn(C)n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920606 948905170 /nfs/dbraw/zinc/90/51/70/948905170.db2.gz MWEVHPLAPDIYIH-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)CCc1cnn(C)n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574920607 948906818 /nfs/dbraw/zinc/90/68/18/948906818.db2.gz MWEVHPLAPDIYIH-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)CCc1cnn(C)n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574920607 948906805 /nfs/dbraw/zinc/90/68/05/948906805.db2.gz MWEVHPLAPDIYIH-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)CCn1ccccc1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574922965 948929524 /nfs/dbraw/zinc/92/95/24/948929524.db2.gz AKRWMNZZTXWUJO-LLVKDONJSA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@H](CNC(=O)CCn1ccccc1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574922965 948929514 /nfs/dbraw/zinc/92/95/14/948929514.db2.gz AKRWMNZZTXWUJO-LLVKDONJSA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@@H](CNC(=O)CCn1ccccc1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574922966 948928301 /nfs/dbraw/zinc/92/83/01/948928301.db2.gz AKRWMNZZTXWUJO-NSHDSACASA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@@H](CNC(=O)CCn1ccccc1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574922966 948928289 /nfs/dbraw/zinc/92/82/89/948928289.db2.gz AKRWMNZZTXWUJO-NSHDSACASA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@@H](CNC(=O)CCn1ncn(C)c1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574922991 948929053 /nfs/dbraw/zinc/92/90/53/948929053.db2.gz ASYFOWZMGXYFCX-LLVKDONJSA-N -1 3 386.420 -0.589 20 0 GBADHM C[C@@H](CNC(=O)CCn1ncn(C)c1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574922991 948929047 /nfs/dbraw/zinc/92/90/47/948929047.db2.gz ASYFOWZMGXYFCX-LLVKDONJSA-N -1 3 386.420 -0.589 20 0 GBADHM C[C@H](CNC(=O)CCn1ncn(C)c1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574922992 948929565 /nfs/dbraw/zinc/92/95/65/948929565.db2.gz ASYFOWZMGXYFCX-NSHDSACASA-N -1 3 386.420 -0.589 20 0 GBADHM C[C@H](CNC(=O)CCn1ncn(C)c1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574922992 948929549 /nfs/dbraw/zinc/92/95/49/948929549.db2.gz ASYFOWZMGXYFCX-NSHDSACASA-N -1 3 386.420 -0.589 20 0 GBADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574923001 948933141 /nfs/dbraw/zinc/93/31/41/948933141.db2.gz BBPSDCDZXTVBBL-JTQLQIEISA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574923001 948933131 /nfs/dbraw/zinc/93/31/31/948933131.db2.gz BBPSDCDZXTVBBL-JTQLQIEISA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574923002 948932939 /nfs/dbraw/zinc/93/29/39/948932939.db2.gz BBPSDCDZXTVBBL-SNVBAGLBSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574923002 948932931 /nfs/dbraw/zinc/93/29/31/948932931.db2.gz BBPSDCDZXTVBBL-SNVBAGLBSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)CCn1ccccc1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574923015 948932506 /nfs/dbraw/zinc/93/25/06/948932506.db2.gz BHDDLSAQBWQLIJ-LLVKDONJSA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@H](CNC(=O)CCn1ccccc1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574923015 948932493 /nfs/dbraw/zinc/93/24/93/948932493.db2.gz BHDDLSAQBWQLIJ-LLVKDONJSA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@@H](CNC(=O)CCn1ccccc1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574923016 948932975 /nfs/dbraw/zinc/93/29/75/948932975.db2.gz BHDDLSAQBWQLIJ-NSHDSACASA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@@H](CNC(=O)CCn1ccccc1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574923016 948932963 /nfs/dbraw/zinc/93/29/63/948932963.db2.gz BHDDLSAQBWQLIJ-NSHDSACASA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574923023 948933113 /nfs/dbraw/zinc/93/31/13/948933113.db2.gz BMUNGLBARZXUQA-LLVKDONJSA-N -1 3 386.420 -0.812 20 0 GBADHM C[C@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574923023 948933103 /nfs/dbraw/zinc/93/31/03/948933103.db2.gz BMUNGLBARZXUQA-LLVKDONJSA-N -1 3 386.420 -0.812 20 0 GBADHM C[C@@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574923024 948932816 /nfs/dbraw/zinc/93/28/16/948932816.db2.gz BMUNGLBARZXUQA-NSHDSACASA-N -1 3 386.420 -0.812 20 0 GBADHM C[C@@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574923024 948932803 /nfs/dbraw/zinc/93/28/03/948932803.db2.gz BMUNGLBARZXUQA-NSHDSACASA-N -1 3 386.420 -0.812 20 0 GBADHM C[C@H](CNC(=O)CCn1cnnn1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574923059 948931930 /nfs/dbraw/zinc/93/19/30/948931930.db2.gz CATRBIIDRQBNQU-SECBINFHSA-N -1 3 375.372 -0.582 20 0 GBADHM C[C@H](CNC(=O)CCn1cnnn1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574923059 948931919 /nfs/dbraw/zinc/93/19/19/948931919.db2.gz CATRBIIDRQBNQU-SECBINFHSA-N -1 3 375.372 -0.582 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnnn1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574923060 948931333 /nfs/dbraw/zinc/93/13/33/948931333.db2.gz CATRBIIDRQBNQU-VIFPVBQESA-N -1 3 375.372 -0.582 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnnn1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574923060 948931324 /nfs/dbraw/zinc/93/13/24/948931324.db2.gz CATRBIIDRQBNQU-VIFPVBQESA-N -1 3 375.372 -0.582 20 0 GBADHM C[C@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574923071 948932468 /nfs/dbraw/zinc/93/24/68/948932468.db2.gz CKMNCVAWUJQDKP-LLVKDONJSA-N -1 3 386.420 -0.812 20 0 GBADHM C[C@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574923071 948932457 /nfs/dbraw/zinc/93/24/57/948932457.db2.gz CKMNCVAWUJQDKP-LLVKDONJSA-N -1 3 386.420 -0.812 20 0 GBADHM C[C@@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574923072 948933244 /nfs/dbraw/zinc/93/32/44/948933244.db2.gz CKMNCVAWUJQDKP-NSHDSACASA-N -1 3 386.420 -0.812 20 0 GBADHM C[C@@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574923072 948933229 /nfs/dbraw/zinc/93/32/29/948933229.db2.gz CKMNCVAWUJQDKP-NSHDSACASA-N -1 3 386.420 -0.812 20 0 GBADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574923111 948936052 /nfs/dbraw/zinc/93/60/52/948936052.db2.gz DSCVJROOQITEFV-JTQLQIEISA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574923111 948936039 /nfs/dbraw/zinc/93/60/39/948936039.db2.gz DSCVJROOQITEFV-JTQLQIEISA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574923112 948936788 /nfs/dbraw/zinc/93/67/88/948936788.db2.gz DSCVJROOQITEFV-SNVBAGLBSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574923112 948936777 /nfs/dbraw/zinc/93/67/77/948936777.db2.gz DSCVJROOQITEFV-SNVBAGLBSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)CCn1cnnn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574923125 948935596 /nfs/dbraw/zinc/93/55/96/948935596.db2.gz FFFZZNAWCWAZPA-SECBINFHSA-N -1 3 375.372 -0.358 20 0 GBADHM C[C@H](CNC(=O)CCn1cnnn1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574923125 948935582 /nfs/dbraw/zinc/93/55/82/948935582.db2.gz FFFZZNAWCWAZPA-SECBINFHSA-N -1 3 375.372 -0.358 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnnn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574923126 948936097 /nfs/dbraw/zinc/93/60/97/948936097.db2.gz FFFZZNAWCWAZPA-VIFPVBQESA-N -1 3 375.372 -0.358 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnnn1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574923126 948936083 /nfs/dbraw/zinc/93/60/83/948936083.db2.gz FFFZZNAWCWAZPA-VIFPVBQESA-N -1 3 375.372 -0.358 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnccc1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574923339 948946793 /nfs/dbraw/zinc/94/67/93/948946793.db2.gz KCFYQYAACMIABM-JTQLQIEISA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnccc1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574923339 948946780 /nfs/dbraw/zinc/94/67/80/948946780.db2.gz KCFYQYAACMIABM-JTQLQIEISA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@H](CNC(=O)CCn1cnccc1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574923340 948944675 /nfs/dbraw/zinc/94/46/75/948944675.db2.gz KCFYQYAACMIABM-SNVBAGLBSA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@H](CNC(=O)CCn1cnccc1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574923340 948944663 /nfs/dbraw/zinc/94/46/63/948944663.db2.gz KCFYQYAACMIABM-SNVBAGLBSA-N -1 3 385.388 -0.924 20 0 GBADHM CC(C)C(=O)N(C)CC(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574923387 948944899 /nfs/dbraw/zinc/94/48/99/948944899.db2.gz LGMIKGKJVYRXQU-LLVKDONJSA-N -1 3 390.448 -0.209 20 0 GBADHM CC(C)C(=O)N(C)CC(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574923387 948944893 /nfs/dbraw/zinc/94/48/93/948944893.db2.gz LGMIKGKJVYRXQU-LLVKDONJSA-N -1 3 390.448 -0.209 20 0 GBADHM CC(C)C(=O)N(C)CC(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574923388 948946475 /nfs/dbraw/zinc/94/64/75/948946475.db2.gz LGMIKGKJVYRXQU-NSHDSACASA-N -1 3 390.448 -0.209 20 0 GBADHM CC(C)C(=O)N(C)CC(=O)NC[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574923388 948946463 /nfs/dbraw/zinc/94/64/63/948946463.db2.gz LGMIKGKJVYRXQU-NSHDSACASA-N -1 3 390.448 -0.209 20 0 GBADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574923521 948952816 /nfs/dbraw/zinc/95/28/16/948952816.db2.gz OVPZYWCOTJAKKZ-JTQLQIEISA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574923521 948952801 /nfs/dbraw/zinc/95/28/01/948952801.db2.gz OVPZYWCOTJAKKZ-JTQLQIEISA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574923522 948951356 /nfs/dbraw/zinc/95/13/56/948951356.db2.gz OVPZYWCOTJAKKZ-SNVBAGLBSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574923522 948951348 /nfs/dbraw/zinc/95/13/48/948951348.db2.gz OVPZYWCOTJAKKZ-SNVBAGLBSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)CCn1cnnn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574923681 948956741 /nfs/dbraw/zinc/95/67/41/948956741.db2.gz RCSJFWYIBOBJGJ-MRVPVSSYSA-N -1 3 377.800 -0.092 20 0 GBADHM C[C@H](CNC(=O)CCn1cnnn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574923681 948956730 /nfs/dbraw/zinc/95/67/30/948956730.db2.gz RCSJFWYIBOBJGJ-MRVPVSSYSA-N -1 3 377.800 -0.092 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnnn1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574923682 948955588 /nfs/dbraw/zinc/95/55/88/948955588.db2.gz RCSJFWYIBOBJGJ-QMMMGPOBSA-N -1 3 377.800 -0.092 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnnn1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574923682 948955576 /nfs/dbraw/zinc/95/55/76/948955576.db2.gz RCSJFWYIBOBJGJ-QMMMGPOBSA-N -1 3 377.800 -0.092 20 0 GBADHM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574923727 948958437 /nfs/dbraw/zinc/95/84/37/948958437.db2.gz RNVACBXUHDOOIG-GFCCVEGCSA-N -1 3 383.416 -0.150 20 0 GBADHM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574923727 948958418 /nfs/dbraw/zinc/95/84/18/948958418.db2.gz RNVACBXUHDOOIG-GFCCVEGCSA-N -1 3 383.416 -0.150 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574923729 948959720 /nfs/dbraw/zinc/95/97/20/948959720.db2.gz RNVACBXUHDOOIG-LBPRGKRZSA-N -1 3 383.416 -0.150 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574923729 948959710 /nfs/dbraw/zinc/95/97/10/948959710.db2.gz RNVACBXUHDOOIG-LBPRGKRZSA-N -1 3 383.416 -0.150 20 0 GBADHM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574923822 948958802 /nfs/dbraw/zinc/95/88/02/948958802.db2.gz SGOAMJBVEKHFRG-GFCCVEGCSA-N -1 3 383.416 -0.150 20 0 GBADHM C[C@H](CNC(=O)CCn1cnccc1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574923822 948958793 /nfs/dbraw/zinc/95/87/93/948958793.db2.gz SGOAMJBVEKHFRG-GFCCVEGCSA-N -1 3 383.416 -0.150 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574923823 948961012 /nfs/dbraw/zinc/96/10/12/948961012.db2.gz SGOAMJBVEKHFRG-LBPRGKRZSA-N -1 3 383.416 -0.150 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnccc1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574923823 948961004 /nfs/dbraw/zinc/96/10/04/948961004.db2.gz SGOAMJBVEKHFRG-LBPRGKRZSA-N -1 3 383.416 -0.150 20 0 GBADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574923929 948963787 /nfs/dbraw/zinc/96/37/87/948963787.db2.gz UJMWNMYVZXGPRU-JTQLQIEISA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574923929 948963778 /nfs/dbraw/zinc/96/37/78/948963778.db2.gz UJMWNMYVZXGPRU-JTQLQIEISA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574923930 948962239 /nfs/dbraw/zinc/96/22/39/948962239.db2.gz UJMWNMYVZXGPRU-SNVBAGLBSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574923930 948962224 /nfs/dbraw/zinc/96/22/24/948962224.db2.gz UJMWNMYVZXGPRU-SNVBAGLBSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@@H](CNC(=O)CCn1ncn(C)c1=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574923931 948962131 /nfs/dbraw/zinc/96/21/31/948962131.db2.gz UKQCZFXAMJZBJJ-LLVKDONJSA-N -1 3 386.420 -0.589 20 0 GBADHM C[C@@H](CNC(=O)CCn1ncn(C)c1=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574923931 948962125 /nfs/dbraw/zinc/96/21/25/948962125.db2.gz UKQCZFXAMJZBJJ-LLVKDONJSA-N -1 3 386.420 -0.589 20 0 GBADHM C[C@H](CNC(=O)CCn1ncn(C)c1=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574923932 948962364 /nfs/dbraw/zinc/96/23/64/948962364.db2.gz UKQCZFXAMJZBJJ-NSHDSACASA-N -1 3 386.420 -0.589 20 0 GBADHM C[C@H](CNC(=O)CCn1ncn(C)c1=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574923932 948962346 /nfs/dbraw/zinc/96/23/46/948962346.db2.gz UKQCZFXAMJZBJJ-NSHDSACASA-N -1 3 386.420 -0.589 20 0 GBADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574923935 948963132 /nfs/dbraw/zinc/96/31/32/948963132.db2.gz UMIMVUWSHJPQNZ-JTQLQIEISA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574923935 948963118 /nfs/dbraw/zinc/96/31/18/948963118.db2.gz UMIMVUWSHJPQNZ-JTQLQIEISA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574923936 948963479 /nfs/dbraw/zinc/96/34/79/948963479.db2.gz UMIMVUWSHJPQNZ-SNVBAGLBSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)CN(C)C(=O)C1CC1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574923936 948963461 /nfs/dbraw/zinc/96/34/61/948963461.db2.gz UMIMVUWSHJPQNZ-SNVBAGLBSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnccc1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574924069 948962101 /nfs/dbraw/zinc/96/21/01/948962101.db2.gz VDMRZKHAGWJVIR-JTQLQIEISA-N -1 3 387.379 -0.036 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnccc1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574924069 948962093 /nfs/dbraw/zinc/96/20/93/948962093.db2.gz VDMRZKHAGWJVIR-JTQLQIEISA-N -1 3 387.379 -0.036 20 0 GBADHM C[C@H](CNC(=O)CCn1cnccc1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574924070 948964104 /nfs/dbraw/zinc/96/41/04/948964104.db2.gz VDMRZKHAGWJVIR-SNVBAGLBSA-N -1 3 387.379 -0.036 20 0 GBADHM C[C@H](CNC(=O)CCn1cnccc1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574924070 948964096 /nfs/dbraw/zinc/96/40/96/948964096.db2.gz VDMRZKHAGWJVIR-SNVBAGLBSA-N -1 3 387.379 -0.036 20 0 GBADHM C[C@@H](CNC(=O)CCn1ncn(C)c1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574924146 948967374 /nfs/dbraw/zinc/96/73/74/948967374.db2.gz XKTXJQLJZLFSQG-JTQLQIEISA-N -1 3 389.395 -0.092 20 0 GBADHM C[C@@H](CNC(=O)CCn1ncn(C)c1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574924146 948967360 /nfs/dbraw/zinc/96/73/60/948967360.db2.gz XKTXJQLJZLFSQG-JTQLQIEISA-N -1 3 389.395 -0.092 20 0 GBADHM C[C@H](CNC(=O)CCn1ncn(C)c1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574924147 948967295 /nfs/dbraw/zinc/96/72/95/948967295.db2.gz XKTXJQLJZLFSQG-SNVBAGLBSA-N -1 3 389.395 -0.092 20 0 GBADHM C[C@H](CNC(=O)CCn1ncn(C)c1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574924147 948967282 /nfs/dbraw/zinc/96/72/82/948967282.db2.gz XKTXJQLJZLFSQG-SNVBAGLBSA-N -1 3 389.395 -0.092 20 0 GBADHM C[C@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574924270 948965753 /nfs/dbraw/zinc/96/57/53/948965753.db2.gz XYMAGDGBQIYKSE-LLVKDONJSA-N -1 3 386.420 -0.812 20 0 GBADHM C[C@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574924270 948965746 /nfs/dbraw/zinc/96/57/46/948965746.db2.gz XYMAGDGBQIYKSE-LLVKDONJSA-N -1 3 386.420 -0.812 20 0 GBADHM C[C@@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574924271 948966231 /nfs/dbraw/zinc/96/62/31/948966231.db2.gz XYMAGDGBQIYKSE-NSHDSACASA-N -1 3 386.420 -0.812 20 0 GBADHM C[C@@H](CNC(=O)CCn1ncn(C)c1=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574924271 948966216 /nfs/dbraw/zinc/96/62/16/948966216.db2.gz XYMAGDGBQIYKSE-NSHDSACASA-N -1 3 386.420 -0.812 20 0 GBADHM C[C@H](CNC(=O)CCn1ccccc1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574924286 948969238 /nfs/dbraw/zinc/96/92/38/948969238.db2.gz YUKGGVGYDWNMFK-LLVKDONJSA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@H](CNC(=O)CCn1ccccc1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574924286 948969224 /nfs/dbraw/zinc/96/92/24/948969224.db2.gz YUKGGVGYDWNMFK-LLVKDONJSA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@@H](CNC(=O)CCn1ccccc1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574924287 948971133 /nfs/dbraw/zinc/97/11/33/948971133.db2.gz YUKGGVGYDWNMFK-NSHDSACASA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@@H](CNC(=O)CCn1ccccc1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574924287 948971125 /nfs/dbraw/zinc/97/11/25/948971125.db2.gz YUKGGVGYDWNMFK-NSHDSACASA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnccc1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574924296 948969942 /nfs/dbraw/zinc/96/99/42/948969942.db2.gz ZCZFRKNIRCNFAS-JTQLQIEISA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@@H](CNC(=O)CCn1cnccc1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574924296 948969933 /nfs/dbraw/zinc/96/99/33/948969933.db2.gz ZCZFRKNIRCNFAS-JTQLQIEISA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@H](CNC(=O)CCn1cnccc1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574924297 948969442 /nfs/dbraw/zinc/96/94/42/948969442.db2.gz ZCZFRKNIRCNFAS-SNVBAGLBSA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@H](CNC(=O)CCn1cnccc1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574924297 948969427 /nfs/dbraw/zinc/96/94/27/948969427.db2.gz ZCZFRKNIRCNFAS-SNVBAGLBSA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCC1=O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574925462 948970892 /nfs/dbraw/zinc/97/08/92/948970892.db2.gz ABDWAVOXZAPGPV-LLVKDONJSA-N -1 3 388.432 -0.311 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCC1=O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574925462 948970883 /nfs/dbraw/zinc/97/08/83/948970883.db2.gz ABDWAVOXZAPGPV-LLVKDONJSA-N -1 3 388.432 -0.311 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCC1=O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574925463 948970774 /nfs/dbraw/zinc/97/07/74/948970774.db2.gz ABDWAVOXZAPGPV-NSHDSACASA-N -1 3 388.432 -0.311 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCC1=O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574925463 948970763 /nfs/dbraw/zinc/97/07/63/948970763.db2.gz ABDWAVOXZAPGPV-NSHDSACASA-N -1 3 388.432 -0.311 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCC1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574925483 948972478 /nfs/dbraw/zinc/97/24/78/948972478.db2.gz ALPOVNYRXJKQOM-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCC1=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574925483 948972463 /nfs/dbraw/zinc/97/24/63/948972463.db2.gz ALPOVNYRXJKQOM-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCC1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574925485 948974357 /nfs/dbraw/zinc/97/43/57/948974357.db2.gz ALPOVNYRXJKQOM-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCC1=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574925485 948974342 /nfs/dbraw/zinc/97/43/42/948974342.db2.gz ALPOVNYRXJKQOM-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574925502 948973191 /nfs/dbraw/zinc/97/31/91/948973191.db2.gz AQFKQXZXDLZGKY-JTQLQIEISA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574925502 948973183 /nfs/dbraw/zinc/97/31/83/948973183.db2.gz AQFKQXZXDLZGKY-JTQLQIEISA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574925504 948973459 /nfs/dbraw/zinc/97/34/59/948973459.db2.gz AQFKQXZXDLZGKY-SNVBAGLBSA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574925504 948973451 /nfs/dbraw/zinc/97/34/51/948973451.db2.gz AQFKQXZXDLZGKY-SNVBAGLBSA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574925548 948973909 /nfs/dbraw/zinc/97/39/09/948973909.db2.gz BAYLHZJSSQIQLN-JTQLQIEISA-N -1 3 391.411 -0.243 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574925548 948973896 /nfs/dbraw/zinc/97/38/96/948973896.db2.gz BAYLHZJSSQIQLN-JTQLQIEISA-N -1 3 391.411 -0.243 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574925553 948973143 /nfs/dbraw/zinc/97/31/43/948973143.db2.gz BAYLHZJSSQIQLN-SNVBAGLBSA-N -1 3 391.411 -0.243 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574925553 948973137 /nfs/dbraw/zinc/97/31/37/948973137.db2.gz BAYLHZJSSQIQLN-SNVBAGLBSA-N -1 3 391.411 -0.243 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCC1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574925591 948972340 /nfs/dbraw/zinc/97/23/40/948972340.db2.gz BKQUVRFCNOEMOZ-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCC1=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574925591 948972332 /nfs/dbraw/zinc/97/23/32/948972332.db2.gz BKQUVRFCNOEMOZ-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCC1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574925593 948973165 /nfs/dbraw/zinc/97/31/65/948973165.db2.gz BKQUVRFCNOEMOZ-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCC1=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574925593 948973156 /nfs/dbraw/zinc/97/31/56/948973156.db2.gz BKQUVRFCNOEMOZ-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574925603 948972384 /nfs/dbraw/zinc/97/23/84/948972384.db2.gz BMSYIXVKOQZHBB-JTQLQIEISA-N -1 3 387.404 -0.632 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574925603 948972372 /nfs/dbraw/zinc/97/23/72/948972372.db2.gz BMSYIXVKOQZHBB-JTQLQIEISA-N -1 3 387.404 -0.632 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574925608 948972637 /nfs/dbraw/zinc/97/26/37/948972637.db2.gz BMSYIXVKOQZHBB-SNVBAGLBSA-N -1 3 387.404 -0.632 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574925608 948972627 /nfs/dbraw/zinc/97/26/27/948972627.db2.gz BMSYIXVKOQZHBB-SNVBAGLBSA-N -1 3 387.404 -0.632 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574925622 948977323 /nfs/dbraw/zinc/97/73/23/948977323.db2.gz BSFKXZUSNJUTNR-JTQLQIEISA-N -1 3 389.420 -0.908 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574925622 948977313 /nfs/dbraw/zinc/97/73/13/948977313.db2.gz BSFKXZUSNJUTNR-JTQLQIEISA-N -1 3 389.420 -0.908 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574925624 948975521 /nfs/dbraw/zinc/97/55/21/948975521.db2.gz BSFKXZUSNJUTNR-SNVBAGLBSA-N -1 3 389.420 -0.908 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574925624 948975505 /nfs/dbraw/zinc/97/55/05/948975505.db2.gz BSFKXZUSNJUTNR-SNVBAGLBSA-N -1 3 389.420 -0.908 20 0 GBADHM C[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574925720 948977742 /nfs/dbraw/zinc/97/77/42/948977742.db2.gz CPYPXZWSPZLFIS-JTQLQIEISA-N -1 3 387.404 -0.903 20 0 GBADHM C[C@@H](CNC(=O)CN1CC(=O)N(C)C1=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574925720 948977725 /nfs/dbraw/zinc/97/77/25/948977725.db2.gz CPYPXZWSPZLFIS-JTQLQIEISA-N -1 3 387.404 -0.903 20 0 GBADHM C[C@H](CNC(=O)CN1CC(=O)N(C)C1=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574925722 948977991 /nfs/dbraw/zinc/97/79/91/948977991.db2.gz CPYPXZWSPZLFIS-SNVBAGLBSA-N -1 3 387.404 -0.903 20 0 GBADHM C[C@H](CNC(=O)CN1CC(=O)N(C)C1=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574925722 948977978 /nfs/dbraw/zinc/97/79/78/948977978.db2.gz CPYPXZWSPZLFIS-SNVBAGLBSA-N -1 3 387.404 -0.903 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574925763 948977573 /nfs/dbraw/zinc/97/75/73/948977573.db2.gz DEEFADCCZKMEJO-JTQLQIEISA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574925763 948977560 /nfs/dbraw/zinc/97/75/60/948977560.db2.gz DEEFADCCZKMEJO-JTQLQIEISA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574925765 948977900 /nfs/dbraw/zinc/97/79/00/948977900.db2.gz DEEFADCCZKMEJO-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574925765 948977885 /nfs/dbraw/zinc/97/78/85/948977885.db2.gz DEEFADCCZKMEJO-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574925767 948977090 /nfs/dbraw/zinc/97/70/90/948977090.db2.gz DFAUNERJFKWYRC-MRVPVSSYSA-N -1 3 391.367 -0.741 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574925767 948977076 /nfs/dbraw/zinc/97/70/76/948977076.db2.gz DFAUNERJFKWYRC-MRVPVSSYSA-N -1 3 391.367 -0.741 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574925771 948977220 /nfs/dbraw/zinc/97/72/20/948977220.db2.gz DFAUNERJFKWYRC-QMMMGPOBSA-N -1 3 391.367 -0.741 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574925771 948977206 /nfs/dbraw/zinc/97/72/06/948977206.db2.gz DFAUNERJFKWYRC-QMMMGPOBSA-N -1 3 391.367 -0.741 20 0 GBADHM C[C@H](CNC(=O)CN1C(=O)CCC1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574925980 948981749 /nfs/dbraw/zinc/98/17/49/948981749.db2.gz FUNPWRWHPZRWBD-MRVPVSSYSA-N -1 3 392.807 -0.019 20 0 GBADHM C[C@H](CNC(=O)CN1C(=O)CCC1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574925980 948981744 /nfs/dbraw/zinc/98/17/44/948981744.db2.gz FUNPWRWHPZRWBD-MRVPVSSYSA-N -1 3 392.807 -0.019 20 0 GBADHM C[C@@H](CNC(=O)CN1C(=O)CCC1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574925987 948979896 /nfs/dbraw/zinc/97/98/96/948979896.db2.gz FUNPWRWHPZRWBD-QMMMGPOBSA-N -1 3 392.807 -0.019 20 0 GBADHM C[C@@H](CNC(=O)CN1C(=O)CCC1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574925987 948979888 /nfs/dbraw/zinc/97/98/88/948979888.db2.gz FUNPWRWHPZRWBD-QMMMGPOBSA-N -1 3 392.807 -0.019 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574926034 948983645 /nfs/dbraw/zinc/98/36/45/948983645.db2.gz GVZIVNQBAZLOLW-JTQLQIEISA-N -1 3 387.404 -0.856 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574926034 948983632 /nfs/dbraw/zinc/98/36/32/948983632.db2.gz GVZIVNQBAZLOLW-JTQLQIEISA-N -1 3 387.404 -0.856 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574926035 948983195 /nfs/dbraw/zinc/98/31/95/948983195.db2.gz GVZIVNQBAZLOLW-SNVBAGLBSA-N -1 3 387.404 -0.856 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574926035 948983188 /nfs/dbraw/zinc/98/31/88/948983188.db2.gz GVZIVNQBAZLOLW-SNVBAGLBSA-N -1 3 387.404 -0.856 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574926080 948985441 /nfs/dbraw/zinc/98/54/41/948985441.db2.gz HWEZXMQTFVMOFT-JTQLQIEISA-N -1 3 387.404 -0.856 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574926080 948985434 /nfs/dbraw/zinc/98/54/34/948985434.db2.gz HWEZXMQTFVMOFT-JTQLQIEISA-N -1 3 387.404 -0.856 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574926081 948982269 /nfs/dbraw/zinc/98/22/69/948982269.db2.gz HWEZXMQTFVMOFT-SNVBAGLBSA-N -1 3 387.404 -0.856 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574926081 948982259 /nfs/dbraw/zinc/98/22/59/948982259.db2.gz HWEZXMQTFVMOFT-SNVBAGLBSA-N -1 3 387.404 -0.856 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCC1=O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574926102 948982727 /nfs/dbraw/zinc/98/27/27/948982727.db2.gz IMSHDYHAGUKSRD-LLVKDONJSA-N -1 3 388.432 -0.311 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCC1=O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574926102 948982714 /nfs/dbraw/zinc/98/27/14/948982714.db2.gz IMSHDYHAGUKSRD-LLVKDONJSA-N -1 3 388.432 -0.311 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCC1=O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574926103 948987755 /nfs/dbraw/zinc/98/77/55/948987755.db2.gz IMSHDYHAGUKSRD-NSHDSACASA-N -1 3 388.432 -0.311 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCC1=O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574926103 948987747 /nfs/dbraw/zinc/98/77/47/948987747.db2.gz IMSHDYHAGUKSRD-NSHDSACASA-N -1 3 388.432 -0.311 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574926116 948987164 /nfs/dbraw/zinc/98/71/64/948987164.db2.gz ITDKPXKLGQBQFV-MRVPVSSYSA-N -1 3 386.413 -0.791 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574926116 948987156 /nfs/dbraw/zinc/98/71/56/948987156.db2.gz ITDKPXKLGQBQFV-MRVPVSSYSA-N -1 3 386.413 -0.791 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574926117 948986091 /nfs/dbraw/zinc/98/60/91/948986091.db2.gz ITDKPXKLGQBQFV-QMMMGPOBSA-N -1 3 386.413 -0.791 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574926117 948986076 /nfs/dbraw/zinc/98/60/76/948986076.db2.gz ITDKPXKLGQBQFV-QMMMGPOBSA-N -1 3 386.413 -0.791 20 0 GBADHM C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574926200 948991199 /nfs/dbraw/zinc/99/11/99/948991199.db2.gz KMOYXNKZBUTDGN-JTQLQIEISA-N -1 3 387.404 -0.903 20 0 GBADHM C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574926200 948991193 /nfs/dbraw/zinc/99/11/93/948991193.db2.gz KMOYXNKZBUTDGN-JTQLQIEISA-N -1 3 387.404 -0.903 20 0 GBADHM C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574926201 948991245 /nfs/dbraw/zinc/99/12/45/948991245.db2.gz KMOYXNKZBUTDGN-SNVBAGLBSA-N -1 3 387.404 -0.903 20 0 GBADHM C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574926201 948991232 /nfs/dbraw/zinc/99/12/32/948991232.db2.gz KMOYXNKZBUTDGN-SNVBAGLBSA-N -1 3 387.404 -0.903 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574926246 948990070 /nfs/dbraw/zinc/99/00/70/948990070.db2.gz LSVCCXYIZOVQDM-JTQLQIEISA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574926246 948990063 /nfs/dbraw/zinc/99/00/63/948990063.db2.gz LSVCCXYIZOVQDM-JTQLQIEISA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574926247 948991851 /nfs/dbraw/zinc/99/18/51/948991851.db2.gz LSVCCXYIZOVQDM-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574926247 948991841 /nfs/dbraw/zinc/99/18/41/948991841.db2.gz LSVCCXYIZOVQDM-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCC1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574926266 948993363 /nfs/dbraw/zinc/99/33/63/948993363.db2.gz MGKOPHXOPNKXSA-JTQLQIEISA-N -1 3 376.396 -0.036 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCC1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574926266 948993354 /nfs/dbraw/zinc/99/33/54/948993354.db2.gz MGKOPHXOPNKXSA-JTQLQIEISA-N -1 3 376.396 -0.036 20 0 GBADHM C[C@H](CNC(=O)CN1CCCC1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574926267 948993696 /nfs/dbraw/zinc/99/36/96/948993696.db2.gz MGKOPHXOPNKXSA-SNVBAGLBSA-N -1 3 376.396 -0.036 20 0 GBADHM C[C@H](CNC(=O)CN1CCCC1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574926267 948993684 /nfs/dbraw/zinc/99/36/84/948993684.db2.gz MGKOPHXOPNKXSA-SNVBAGLBSA-N -1 3 376.396 -0.036 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574926306 948994845 /nfs/dbraw/zinc/99/48/45/948994845.db2.gz NFIDVBSXIJGZHC-JTQLQIEISA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574926306 948994833 /nfs/dbraw/zinc/99/48/33/948994833.db2.gz NFIDVBSXIJGZHC-JTQLQIEISA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574926307 948994043 /nfs/dbraw/zinc/99/40/43/948994043.db2.gz NFIDVBSXIJGZHC-SNVBAGLBSA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574926307 948994035 /nfs/dbraw/zinc/99/40/35/948994035.db2.gz NFIDVBSXIJGZHC-SNVBAGLBSA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926318 948993814 /nfs/dbraw/zinc/99/38/14/948993814.db2.gz NIHFZXJSCDOTIV-SECBINFHSA-N -1 3 390.379 -0.184 20 0 GBADHM C[C@H](CNC(=O)CN1C(=O)CN(C)C1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926318 948993801 /nfs/dbraw/zinc/99/38/01/948993801.db2.gz NIHFZXJSCDOTIV-SECBINFHSA-N -1 3 390.379 -0.184 20 0 GBADHM C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926319 948993116 /nfs/dbraw/zinc/99/31/16/948993116.db2.gz NIHFZXJSCDOTIV-VIFPVBQESA-N -1 3 390.379 -0.184 20 0 GBADHM C[C@@H](CNC(=O)CN1C(=O)CN(C)C1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926319 948993097 /nfs/dbraw/zinc/99/30/97/948993097.db2.gz NIHFZXJSCDOTIV-VIFPVBQESA-N -1 3 390.379 -0.184 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCCC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574926382 948997322 /nfs/dbraw/zinc/99/73/22/948997322.db2.gz OZHQQBSRNCAVOY-LLVKDONJSA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCCC1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574926382 948997301 /nfs/dbraw/zinc/99/73/01/948997301.db2.gz OZHQQBSRNCAVOY-LLVKDONJSA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574926383 948997255 /nfs/dbraw/zinc/99/72/55/948997255.db2.gz OZHQQBSRNCAVOY-NSHDSACASA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574926383 948997245 /nfs/dbraw/zinc/99/72/45/948997245.db2.gz OZHQQBSRNCAVOY-NSHDSACASA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574926402 948997977 /nfs/dbraw/zinc/99/79/77/948997977.db2.gz POPPMKFYQVTHSH-JTQLQIEISA-N -1 3 387.404 -0.632 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574926402 948997969 /nfs/dbraw/zinc/99/79/69/948997969.db2.gz POPPMKFYQVTHSH-JTQLQIEISA-N -1 3 387.404 -0.632 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574926403 948998729 /nfs/dbraw/zinc/99/87/29/948998729.db2.gz POPPMKFYQVTHSH-SNVBAGLBSA-N -1 3 387.404 -0.632 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574926403 948998720 /nfs/dbraw/zinc/99/87/20/948998720.db2.gz POPPMKFYQVTHSH-SNVBAGLBSA-N -1 3 387.404 -0.632 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574926456 949000221 /nfs/dbraw/zinc/00/02/21/949000221.db2.gz QZGRJPFABQOLHG-JTQLQIEISA-N -1 3 387.404 -0.856 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574926456 949000206 /nfs/dbraw/zinc/00/02/06/949000206.db2.gz QZGRJPFABQOLHG-JTQLQIEISA-N -1 3 387.404 -0.856 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574926457 949001295 /nfs/dbraw/zinc/00/12/95/949001295.db2.gz QZGRJPFABQOLHG-SNVBAGLBSA-N -1 3 387.404 -0.856 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574926457 949001277 /nfs/dbraw/zinc/00/12/77/949001277.db2.gz QZGRJPFABQOLHG-SNVBAGLBSA-N -1 3 387.404 -0.856 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCC1=O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574926486 949000962 /nfs/dbraw/zinc/00/09/62/949000962.db2.gz SDVVDDHIEYFPNW-LLVKDONJSA-N -1 3 388.432 -0.311 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCC1=O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574926486 949000948 /nfs/dbraw/zinc/00/09/48/949000948.db2.gz SDVVDDHIEYFPNW-LLVKDONJSA-N -1 3 388.432 -0.311 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCC1=O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574926487 949002921 /nfs/dbraw/zinc/00/29/21/949002921.db2.gz SDVVDDHIEYFPNW-NSHDSACASA-N -1 3 388.432 -0.311 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCC1=O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574926487 949002911 /nfs/dbraw/zinc/00/29/11/949002911.db2.gz SDVVDDHIEYFPNW-NSHDSACASA-N -1 3 388.432 -0.311 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574926492 949003536 /nfs/dbraw/zinc/00/35/36/949003536.db2.gz SFLUOMAMGQDGLB-LLVKDONJSA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCCC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574926492 949003463 /nfs/dbraw/zinc/00/34/63/949003463.db2.gz SFLUOMAMGQDGLB-LLVKDONJSA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574926493 949001234 /nfs/dbraw/zinc/00/12/34/949001234.db2.gz SFLUOMAMGQDGLB-NSHDSACASA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574926493 949001228 /nfs/dbraw/zinc/00/12/28/949001228.db2.gz SFLUOMAMGQDGLB-NSHDSACASA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574926574 949009174 /nfs/dbraw/zinc/00/91/74/949009174.db2.gz UTLVUZPZISXEIO-LLVKDONJSA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574926574 949009160 /nfs/dbraw/zinc/00/91/60/949009160.db2.gz UTLVUZPZISXEIO-LLVKDONJSA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574926575 949005257 /nfs/dbraw/zinc/00/52/57/949005257.db2.gz UTLVUZPZISXEIO-NSHDSACASA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCCC1=O)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574926575 949005144 /nfs/dbraw/zinc/00/51/44/949005144.db2.gz UTLVUZPZISXEIO-NSHDSACASA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574926579 949007910 /nfs/dbraw/zinc/00/79/10/949007910.db2.gz ABIRMCBYZBMYKI-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574926579 949007895 /nfs/dbraw/zinc/00/78/95/949007895.db2.gz ABIRMCBYZBMYKI-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574926580 949009095 /nfs/dbraw/zinc/00/90/95/949009095.db2.gz ABIRMCBYZBMYKI-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574926580 949009081 /nfs/dbraw/zinc/00/90/81/949009081.db2.gz ABIRMCBYZBMYKI-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ncon1 ZINC001574926595 949011966 /nfs/dbraw/zinc/01/19/66/949011966.db2.gz AHLACVHJMBILBP-SECBINFHSA-N -1 3 392.401 -0.552 20 0 GBADHM C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ncon1 ZINC001574926595 949011949 /nfs/dbraw/zinc/01/19/49/949011949.db2.gz AHLACVHJMBILBP-SECBINFHSA-N -1 3 392.401 -0.552 20 0 GBADHM C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ncon1 ZINC001574926596 949013408 /nfs/dbraw/zinc/01/34/08/949013408.db2.gz AHLACVHJMBILBP-VIFPVBQESA-N -1 3 392.401 -0.552 20 0 GBADHM C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ncon1 ZINC001574926596 949013394 /nfs/dbraw/zinc/01/33/94/949013394.db2.gz AHLACVHJMBILBP-VIFPVBQESA-N -1 3 392.401 -0.552 20 0 GBADHM C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926619 949010878 /nfs/dbraw/zinc/01/08/78/949010878.db2.gz BBGCCKVFZVXILX-LLVKDONJSA-N -1 3 390.423 -0.304 20 0 GBADHM C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926619 949010863 /nfs/dbraw/zinc/01/08/63/949010863.db2.gz BBGCCKVFZVXILX-LLVKDONJSA-N -1 3 390.423 -0.304 20 0 GBADHM C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926620 949013622 /nfs/dbraw/zinc/01/36/22/949013622.db2.gz BBGCCKVFZVXILX-NSHDSACASA-N -1 3 390.423 -0.304 20 0 GBADHM C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926620 949013605 /nfs/dbraw/zinc/01/36/05/949013605.db2.gz BBGCCKVFZVXILX-NSHDSACASA-N -1 3 390.423 -0.304 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574926629 949012474 /nfs/dbraw/zinc/01/24/74/949012474.db2.gz BGIRKLDYMJZMPT-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574926629 949012455 /nfs/dbraw/zinc/01/24/55/949012455.db2.gz BGIRKLDYMJZMPT-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574926630 949013271 /nfs/dbraw/zinc/01/32/71/949013271.db2.gz BGIRKLDYMJZMPT-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574926630 949013251 /nfs/dbraw/zinc/01/32/51/949013251.db2.gz BGIRKLDYMJZMPT-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574926633 949012261 /nfs/dbraw/zinc/01/22/61/949012261.db2.gz BISYTZCOCWBZJC-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574926633 949012244 /nfs/dbraw/zinc/01/22/44/949012244.db2.gz BISYTZCOCWBZJC-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574926634 949010406 /nfs/dbraw/zinc/01/04/06/949010406.db2.gz BISYTZCOCWBZJC-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574926634 949010391 /nfs/dbraw/zinc/01/03/91/949010391.db2.gz BISYTZCOCWBZJC-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574926673 949014909 /nfs/dbraw/zinc/01/49/09/949014909.db2.gz CJFCOIGARPXECP-JTQLQIEISA-N -1 3 392.395 -0.800 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574926673 949014895 /nfs/dbraw/zinc/01/48/95/949014895.db2.gz CJFCOIGARPXECP-JTQLQIEISA-N -1 3 392.395 -0.800 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574926674 949018561 /nfs/dbraw/zinc/01/85/61/949018561.db2.gz CJFCOIGARPXECP-SNVBAGLBSA-N -1 3 392.395 -0.800 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574926674 949018549 /nfs/dbraw/zinc/01/85/49/949018549.db2.gz CJFCOIGARPXECP-SNVBAGLBSA-N -1 3 392.395 -0.800 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926698 949015817 /nfs/dbraw/zinc/01/58/17/949015817.db2.gz VKEKXFHXNUHJOC-SECBINFHSA-N -1 3 390.379 -0.136 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926698 949015801 /nfs/dbraw/zinc/01/58/01/949015801.db2.gz VKEKXFHXNUHJOC-SECBINFHSA-N -1 3 390.379 -0.136 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926699 949018968 /nfs/dbraw/zinc/01/89/68/949018968.db2.gz VKEKXFHXNUHJOC-VIFPVBQESA-N -1 3 390.379 -0.136 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926699 949018948 /nfs/dbraw/zinc/01/89/48/949018948.db2.gz VKEKXFHXNUHJOC-VIFPVBQESA-N -1 3 390.379 -0.136 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574926700 949014626 /nfs/dbraw/zinc/01/46/26/949014626.db2.gz VKPBWZSUYDUGFT-JTQLQIEISA-N -1 3 389.420 -0.908 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574926700 949014605 /nfs/dbraw/zinc/01/46/05/949014605.db2.gz VKPBWZSUYDUGFT-JTQLQIEISA-N -1 3 389.420 -0.908 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574926701 949015583 /nfs/dbraw/zinc/01/55/83/949015583.db2.gz VKPBWZSUYDUGFT-SNVBAGLBSA-N -1 3 389.420 -0.908 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574926701 949015496 /nfs/dbraw/zinc/01/54/96/949015496.db2.gz VKPBWZSUYDUGFT-SNVBAGLBSA-N -1 3 389.420 -0.908 20 0 GBADHM C[C@H](CNC(=O)CN1C(=O)CCC1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574926716 949017573 /nfs/dbraw/zinc/01/75/73/949017573.db2.gz VRKWFGDXXBZWPH-SECBINFHSA-N -1 3 390.379 -0.286 20 0 GBADHM C[C@H](CNC(=O)CN1C(=O)CCC1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574926716 949017552 /nfs/dbraw/zinc/01/75/52/949017552.db2.gz VRKWFGDXXBZWPH-SECBINFHSA-N -1 3 390.379 -0.286 20 0 GBADHM C[C@@H](CNC(=O)CN1C(=O)CCC1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574926717 949018193 /nfs/dbraw/zinc/01/81/93/949018193.db2.gz VRKWFGDXXBZWPH-VIFPVBQESA-N -1 3 390.379 -0.286 20 0 GBADHM C[C@@H](CNC(=O)CN1C(=O)CCC1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574926717 949018174 /nfs/dbraw/zinc/01/81/74/949018174.db2.gz VRKWFGDXXBZWPH-VIFPVBQESA-N -1 3 390.379 -0.286 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574926722 949014778 /nfs/dbraw/zinc/01/47/78/949014778.db2.gz VZFQIJBEAIATPJ-JTQLQIEISA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574926722 949014765 /nfs/dbraw/zinc/01/47/65/949014765.db2.gz VZFQIJBEAIATPJ-JTQLQIEISA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574926723 949019347 /nfs/dbraw/zinc/01/93/47/949019347.db2.gz VZFQIJBEAIATPJ-SNVBAGLBSA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574926723 949019338 /nfs/dbraw/zinc/01/93/38/949019338.db2.gz VZFQIJBEAIATPJ-SNVBAGLBSA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574926740 949016134 /nfs/dbraw/zinc/01/61/34/949016134.db2.gz WLZJPDYSCRZQIY-JTQLQIEISA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574926740 949016118 /nfs/dbraw/zinc/01/61/18/949016118.db2.gz WLZJPDYSCRZQIY-JTQLQIEISA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574926741 949018267 /nfs/dbraw/zinc/01/82/67/949018267.db2.gz WLZJPDYSCRZQIY-SNVBAGLBSA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574926741 949018252 /nfs/dbraw/zinc/01/82/52/949018252.db2.gz WLZJPDYSCRZQIY-SNVBAGLBSA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574926768 949023604 /nfs/dbraw/zinc/02/36/04/949023604.db2.gz XDNRFFQIKGWMAK-JTQLQIEISA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574926768 949023583 /nfs/dbraw/zinc/02/35/83/949023583.db2.gz XDNRFFQIKGWMAK-JTQLQIEISA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574926769 949021650 /nfs/dbraw/zinc/02/16/50/949021650.db2.gz XDNRFFQIKGWMAK-SNVBAGLBSA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574926769 949021626 /nfs/dbraw/zinc/02/16/26/949021626.db2.gz XDNRFFQIKGWMAK-SNVBAGLBSA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574926778 949023122 /nfs/dbraw/zinc/02/31/22/949023122.db2.gz XIAUQXAGYJIDGY-JTQLQIEISA-N -1 3 391.411 -0.020 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574926778 949023107 /nfs/dbraw/zinc/02/31/07/949023107.db2.gz XIAUQXAGYJIDGY-JTQLQIEISA-N -1 3 391.411 -0.020 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574926779 949023453 /nfs/dbraw/zinc/02/34/53/949023453.db2.gz XIAUQXAGYJIDGY-SNVBAGLBSA-N -1 3 391.411 -0.020 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574926779 949023431 /nfs/dbraw/zinc/02/34/31/949023431.db2.gz XIAUQXAGYJIDGY-SNVBAGLBSA-N -1 3 391.411 -0.020 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926808 949022113 /nfs/dbraw/zinc/02/21/13/949022113.db2.gz XVGGWKURKUEHJO-SECBINFHSA-N -1 3 385.425 -0.186 20 0 GBADHM C[C@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926808 949022094 /nfs/dbraw/zinc/02/20/94/949022094.db2.gz XVGGWKURKUEHJO-SECBINFHSA-N -1 3 385.425 -0.186 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926809 949022469 /nfs/dbraw/zinc/02/24/69/949022469.db2.gz XVGGWKURKUEHJO-VIFPVBQESA-N -1 3 385.425 -0.186 20 0 GBADHM C[C@@H](CNC(=O)CN(C)S(C)(=O)=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926809 949022447 /nfs/dbraw/zinc/02/24/47/949022447.db2.gz XVGGWKURKUEHJO-VIFPVBQESA-N -1 3 385.425 -0.186 20 0 GBADHM C[C@@H](CNC(=O)CN1CCNC(=O)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926877 949025841 /nfs/dbraw/zinc/02/58/41/949025841.db2.gz CLMBRXKFXDXQMS-JTQLQIEISA-N -1 3 376.396 -0.646 20 0 GBADHM C[C@@H](CNC(=O)CN1CCNC(=O)C1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926877 949025812 /nfs/dbraw/zinc/02/58/12/949025812.db2.gz CLMBRXKFXDXQMS-JTQLQIEISA-N -1 3 376.396 -0.646 20 0 GBADHM C[C@H](CNC(=O)CN1CCNC(=O)C1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574926878 949027082 /nfs/dbraw/zinc/02/70/82/949027082.db2.gz CLMBRXKFXDXQMS-SNVBAGLBSA-N -1 3 376.396 -0.646 20 0 GBADHM C[C@H](CNC(=O)CN1CCNC(=O)C1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574926878 949027066 /nfs/dbraw/zinc/02/70/66/949027066.db2.gz CLMBRXKFXDXQMS-SNVBAGLBSA-N -1 3 376.396 -0.646 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCC1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574926909 949031849 /nfs/dbraw/zinc/03/18/49/949031849.db2.gz ZQLURSNPTVUKBV-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CNC(=O)CN1CCCCC1=O)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574926909 949031829 /nfs/dbraw/zinc/03/18/29/949031829.db2.gz ZQLURSNPTVUKBV-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCC1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574926910 949032011 /nfs/dbraw/zinc/03/20/11/949032011.db2.gz ZQLURSNPTVUKBV-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCCC1=O)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574926910 949031991 /nfs/dbraw/zinc/03/19/91/949031991.db2.gz ZQLURSNPTVUKBV-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574926925 949030188 /nfs/dbraw/zinc/03/01/88/949030188.db2.gz ZUEFNNCYRGGEAI-JTQLQIEISA-N -1 3 387.404 -0.632 20 0 GBADHM C[C@@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574926925 949030167 /nfs/dbraw/zinc/03/01/67/949030167.db2.gz ZUEFNNCYRGGEAI-JTQLQIEISA-N -1 3 387.404 -0.632 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574926927 949030751 /nfs/dbraw/zinc/03/07/51/949030751.db2.gz ZUEFNNCYRGGEAI-SNVBAGLBSA-N -1 3 387.404 -0.632 20 0 GBADHM C[C@H](CNC(=O)CN1CCC(=O)NC1=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574926927 949030734 /nfs/dbraw/zinc/03/07/34/949030734.db2.gz ZUEFNNCYRGGEAI-SNVBAGLBSA-N -1 3 387.404 -0.632 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574926943 949031114 /nfs/dbraw/zinc/03/11/14/949031114.db2.gz DEVCCVQDAPACNC-SECBINFHSA-N -1 3 376.396 -0.132 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574926943 949031097 /nfs/dbraw/zinc/03/10/97/949031097.db2.gz DEVCCVQDAPACNC-SECBINFHSA-N -1 3 376.396 -0.132 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574926944 949032960 /nfs/dbraw/zinc/03/29/60/949032960.db2.gz DEVCCVQDAPACNC-VIFPVBQESA-N -1 3 376.396 -0.132 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C1CC1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574926944 949032948 /nfs/dbraw/zinc/03/29/48/949032948.db2.gz DEVCCVQDAPACNC-VIFPVBQESA-N -1 3 376.396 -0.132 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574926951 949030874 /nfs/dbraw/zinc/03/08/74/949030874.db2.gz ZZPOGSWUJKMHLL-JTQLQIEISA-N -1 3 389.420 -0.908 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574926951 949030866 /nfs/dbraw/zinc/03/08/66/949030866.db2.gz ZZPOGSWUJKMHLL-JTQLQIEISA-N -1 3 389.420 -0.908 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574926953 949029956 /nfs/dbraw/zinc/02/99/56/949029956.db2.gz ZZPOGSWUJKMHLL-SNVBAGLBSA-N -1 3 389.420 -0.908 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574926953 949029937 /nfs/dbraw/zinc/02/99/37/949029937.db2.gz ZZPOGSWUJKMHLL-SNVBAGLBSA-N -1 3 389.420 -0.908 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574927128 949035079 /nfs/dbraw/zinc/03/50/79/949035079.db2.gz FPMFXLLYVNXJOS-JTQLQIEISA-N -1 3 390.448 -0.161 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574927128 949035061 /nfs/dbraw/zinc/03/50/61/949035061.db2.gz FPMFXLLYVNXJOS-JTQLQIEISA-N -1 3 390.448 -0.161 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574927130 949034961 /nfs/dbraw/zinc/03/49/61/949034961.db2.gz FPMFXLLYVNXJOS-SNVBAGLBSA-N -1 3 390.448 -0.161 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574927130 949034943 /nfs/dbraw/zinc/03/49/43/949034943.db2.gz FPMFXLLYVNXJOS-SNVBAGLBSA-N -1 3 390.448 -0.161 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574927135 949037773 /nfs/dbraw/zinc/03/77/73/949037773.db2.gz FRVVIQXRRNIYCP-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574927135 949037756 /nfs/dbraw/zinc/03/77/56/949037756.db2.gz FRVVIQXRRNIYCP-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574927136 949036165 /nfs/dbraw/zinc/03/61/65/949036165.db2.gz FRVVIQXRRNIYCP-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574927136 949036142 /nfs/dbraw/zinc/03/61/42/949036142.db2.gz FRVVIQXRRNIYCP-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574927137 949034404 /nfs/dbraw/zinc/03/44/04/949034404.db2.gz FSCQJBSEEDDSSS-LLVKDONJSA-N -1 3 376.421 -0.991 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574927137 949034384 /nfs/dbraw/zinc/03/43/84/949034384.db2.gz FSCQJBSEEDDSSS-LLVKDONJSA-N -1 3 376.421 -0.991 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574927138 949036225 /nfs/dbraw/zinc/03/62/25/949036225.db2.gz FSCQJBSEEDDSSS-NSHDSACASA-N -1 3 376.421 -0.991 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574927138 949036210 /nfs/dbraw/zinc/03/62/10/949036210.db2.gz FSCQJBSEEDDSSS-NSHDSACASA-N -1 3 376.421 -0.991 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574927178 949037070 /nfs/dbraw/zinc/03/70/70/949037070.db2.gz GQECNFWQZHGZQK-JTQLQIEISA-N -1 3 380.434 -0.786 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574927178 949037051 /nfs/dbraw/zinc/03/70/51/949037051.db2.gz GQECNFWQZHGZQK-JTQLQIEISA-N -1 3 380.434 -0.786 20 0 GBADHM C[C@H](CNC(=O)CN1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574927180 949036362 /nfs/dbraw/zinc/03/63/62/949036362.db2.gz GQECNFWQZHGZQK-SNVBAGLBSA-N -1 3 380.434 -0.786 20 0 GBADHM C[C@H](CNC(=O)CN1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574927180 949036335 /nfs/dbraw/zinc/03/63/35/949036335.db2.gz GQECNFWQZHGZQK-SNVBAGLBSA-N -1 3 380.434 -0.786 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574927198 949036820 /nfs/dbraw/zinc/03/68/20/949036820.db2.gz HBHCPNYVTNCARQ-JTQLQIEISA-N -1 3 390.448 -0.161 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574927198 949036798 /nfs/dbraw/zinc/03/67/98/949036798.db2.gz HBHCPNYVTNCARQ-JTQLQIEISA-N -1 3 390.448 -0.161 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574927199 949037442 /nfs/dbraw/zinc/03/74/42/949037442.db2.gz HBHCPNYVTNCARQ-SNVBAGLBSA-N -1 3 390.448 -0.161 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574927199 949037422 /nfs/dbraw/zinc/03/74/22/949037422.db2.gz HBHCPNYVTNCARQ-SNVBAGLBSA-N -1 3 390.448 -0.161 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574927245 949039147 /nfs/dbraw/zinc/03/91/47/949039147.db2.gz IDVUUQPUJWKFQU-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574927245 949039125 /nfs/dbraw/zinc/03/91/25/949039125.db2.gz IDVUUQPUJWKFQU-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574927247 949042114 /nfs/dbraw/zinc/04/21/14/949042114.db2.gz IDVUUQPUJWKFQU-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574927247 949042092 /nfs/dbraw/zinc/04/20/92/949042092.db2.gz IDVUUQPUJWKFQU-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574927437 949041895 /nfs/dbraw/zinc/04/18/95/949041895.db2.gz ITXQJRUGQNXDPJ-JTQLQIEISA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574927437 949041870 /nfs/dbraw/zinc/04/18/70/949041870.db2.gz ITXQJRUGQNXDPJ-JTQLQIEISA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574927442 949041655 /nfs/dbraw/zinc/04/16/55/949041655.db2.gz ITXQJRUGQNXDPJ-SNVBAGLBSA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574927442 949041635 /nfs/dbraw/zinc/04/16/35/949041635.db2.gz ITXQJRUGQNXDPJ-SNVBAGLBSA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574927468 949046657 /nfs/dbraw/zinc/04/66/57/949046657.db2.gz JBSISOKLVZYMAM-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574927468 949046637 /nfs/dbraw/zinc/04/66/37/949046637.db2.gz JBSISOKLVZYMAM-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574927470 949043818 /nfs/dbraw/zinc/04/38/18/949043818.db2.gz JBSISOKLVZYMAM-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574927470 949043800 /nfs/dbraw/zinc/04/38/00/949043800.db2.gz JBSISOKLVZYMAM-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574927483 949045247 /nfs/dbraw/zinc/04/52/47/949045247.db2.gz JJIPPUIFGVDPRS-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574927483 949045233 /nfs/dbraw/zinc/04/52/33/949045233.db2.gz JJIPPUIFGVDPRS-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574927484 949044084 /nfs/dbraw/zinc/04/40/84/949044084.db2.gz JJIPPUIFGVDPRS-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574927484 949044068 /nfs/dbraw/zinc/04/40/68/949044068.db2.gz JJIPPUIFGVDPRS-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574927818 949051554 /nfs/dbraw/zinc/05/15/54/949051554.db2.gz LPUQSQSZVTUFMR-JTQLQIEISA-N -1 3 390.448 -0.161 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574927818 949051536 /nfs/dbraw/zinc/05/15/36/949051536.db2.gz LPUQSQSZVTUFMR-JTQLQIEISA-N -1 3 390.448 -0.161 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574927821 949048256 /nfs/dbraw/zinc/04/82/56/949048256.db2.gz LPUQSQSZVTUFMR-SNVBAGLBSA-N -1 3 390.448 -0.161 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574927821 949048241 /nfs/dbraw/zinc/04/82/41/949048241.db2.gz LPUQSQSZVTUFMR-SNVBAGLBSA-N -1 3 390.448 -0.161 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C1CCC1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574927875 949051085 /nfs/dbraw/zinc/05/10/85/949051085.db2.gz MCXPZMPGHHWISR-JTQLQIEISA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C1CCC1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574927875 949051066 /nfs/dbraw/zinc/05/10/66/949051066.db2.gz MCXPZMPGHHWISR-JTQLQIEISA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C1CCC1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574927876 949050966 /nfs/dbraw/zinc/05/09/66/949050966.db2.gz MCXPZMPGHHWISR-SNVBAGLBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C1CCC1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574927876 949050955 /nfs/dbraw/zinc/05/09/55/949050955.db2.gz MCXPZMPGHHWISR-SNVBAGLBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574928189 949053236 /nfs/dbraw/zinc/05/32/36/949053236.db2.gz MSSJISADUMSRBR-SECBINFHSA-N -1 3 378.368 -0.824 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574928189 949053222 /nfs/dbraw/zinc/05/32/22/949053222.db2.gz MSSJISADUMSRBR-SECBINFHSA-N -1 3 378.368 -0.824 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574928196 949053447 /nfs/dbraw/zinc/05/34/47/949053447.db2.gz MSSJISADUMSRBR-VIFPVBQESA-N -1 3 378.368 -0.824 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574928196 949053426 /nfs/dbraw/zinc/05/34/26/949053426.db2.gz MSSJISADUMSRBR-VIFPVBQESA-N -1 3 378.368 -0.824 20 0 GBADHM C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1ncccc1-c1nn[n-]n1 ZINC001574928272 949053699 /nfs/dbraw/zinc/05/36/99/949053699.db2.gz OFDFUMQQMBOFNT-GFCCVEGCSA-N -1 3 387.448 -0.800 20 0 GBADHM C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1ncccc1-c1nnn[n-]1 ZINC001574928272 949053676 /nfs/dbraw/zinc/05/36/76/949053676.db2.gz OFDFUMQQMBOFNT-GFCCVEGCSA-N -1 3 387.448 -0.800 20 0 GBADHM C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1ncccc1-c1nn[n-]n1 ZINC001574928275 949056107 /nfs/dbraw/zinc/05/61/07/949056107.db2.gz OFDFUMQQMBOFNT-LBPRGKRZSA-N -1 3 387.448 -0.800 20 0 GBADHM C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1ncccc1-c1nnn[n-]1 ZINC001574928275 949056086 /nfs/dbraw/zinc/05/60/86/949056086.db2.gz OFDFUMQQMBOFNT-LBPRGKRZSA-N -1 3 387.448 -0.800 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574928663 949059711 /nfs/dbraw/zinc/05/97/11/949059711.db2.gz QCFUESQKMQQHNE-LLVKDONJSA-N -1 3 378.412 -0.103 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574928663 949059692 /nfs/dbraw/zinc/05/96/92/949059692.db2.gz QCFUESQKMQQHNE-LLVKDONJSA-N -1 3 378.412 -0.103 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574928665 949059109 /nfs/dbraw/zinc/05/91/09/949059109.db2.gz QCFUESQKMQQHNE-NSHDSACASA-N -1 3 378.412 -0.103 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574928665 949059088 /nfs/dbraw/zinc/05/90/88/949059088.db2.gz QCFUESQKMQQHNE-NSHDSACASA-N -1 3 378.412 -0.103 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574928705 949064009 /nfs/dbraw/zinc/06/40/09/949064009.db2.gz RFNHQTQUWLYNCW-LLVKDONJSA-N -1 3 376.421 -0.991 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574928705 949063992 /nfs/dbraw/zinc/06/39/92/949063992.db2.gz RFNHQTQUWLYNCW-LLVKDONJSA-N -1 3 376.421 -0.991 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574928706 949064357 /nfs/dbraw/zinc/06/43/57/949064357.db2.gz RFNHQTQUWLYNCW-NSHDSACASA-N -1 3 376.421 -0.991 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574928706 949064337 /nfs/dbraw/zinc/06/43/37/949064337.db2.gz RFNHQTQUWLYNCW-NSHDSACASA-N -1 3 376.421 -0.991 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C1CCC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574928844 949065006 /nfs/dbraw/zinc/06/50/06/949065006.db2.gz RITRYYAQJAZJAI-JTQLQIEISA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C1CCC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574928844 949064985 /nfs/dbraw/zinc/06/49/85/949064985.db2.gz RITRYYAQJAZJAI-JTQLQIEISA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C1CCC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574928845 949062497 /nfs/dbraw/zinc/06/24/97/949062497.db2.gz RITRYYAQJAZJAI-SNVBAGLBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C1CCC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574928845 949062476 /nfs/dbraw/zinc/06/24/76/949062476.db2.gz RITRYYAQJAZJAI-SNVBAGLBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574928860 949063903 /nfs/dbraw/zinc/06/39/03/949063903.db2.gz RSUINANKPIQRPI-JTQLQIEISA-N -1 3 392.395 -0.576 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574928860 949063885 /nfs/dbraw/zinc/06/38/85/949063885.db2.gz RSUINANKPIQRPI-JTQLQIEISA-N -1 3 392.395 -0.576 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574928861 949065387 /nfs/dbraw/zinc/06/53/87/949065387.db2.gz RSUINANKPIQRPI-SNVBAGLBSA-N -1 3 392.395 -0.576 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574928861 949065371 /nfs/dbraw/zinc/06/53/71/949065371.db2.gz RSUINANKPIQRPI-SNVBAGLBSA-N -1 3 392.395 -0.576 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574928892 949066367 /nfs/dbraw/zinc/06/63/67/949066367.db2.gz SERBLUQFHGPGAR-LLVKDONJSA-N -1 3 376.421 -0.991 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574928892 949066339 /nfs/dbraw/zinc/06/63/39/949066339.db2.gz SERBLUQFHGPGAR-LLVKDONJSA-N -1 3 376.421 -0.991 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574928893 949069128 /nfs/dbraw/zinc/06/91/28/949069128.db2.gz SERBLUQFHGPGAR-NSHDSACASA-N -1 3 376.421 -0.991 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574928893 949069112 /nfs/dbraw/zinc/06/91/12/949069112.db2.gz SERBLUQFHGPGAR-NSHDSACASA-N -1 3 376.421 -0.991 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C1CCC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574928902 949067090 /nfs/dbraw/zinc/06/70/90/949067090.db2.gz SIBWCEUMTBSBSH-JTQLQIEISA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C1CCC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574928902 949067070 /nfs/dbraw/zinc/06/70/70/949067070.db2.gz SIBWCEUMTBSBSH-JTQLQIEISA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C1CCC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574928903 949068071 /nfs/dbraw/zinc/06/80/71/949068071.db2.gz SIBWCEUMTBSBSH-SNVBAGLBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C1CCC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574928903 949068053 /nfs/dbraw/zinc/06/80/53/949068053.db2.gz SIBWCEUMTBSBSH-SNVBAGLBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574928918 949067177 /nfs/dbraw/zinc/06/71/77/949067177.db2.gz SSTKMLRQKJMMJQ-JTQLQIEISA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574928918 949067158 /nfs/dbraw/zinc/06/71/58/949067158.db2.gz SSTKMLRQKJMMJQ-JTQLQIEISA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574928919 949066773 /nfs/dbraw/zinc/06/67/73/949066773.db2.gz SSTKMLRQKJMMJQ-SNVBAGLBSA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)N1CCCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574928919 949066751 /nfs/dbraw/zinc/06/67/51/949066751.db2.gz SSTKMLRQKJMMJQ-SNVBAGLBSA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574928937 949067951 /nfs/dbraw/zinc/06/79/51/949067951.db2.gz TYJWJXYUJCJIGX-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574928937 949067928 /nfs/dbraw/zinc/06/79/28/949067928.db2.gz TYJWJXYUJCJIGX-JTQLQIEISA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574928938 949066711 /nfs/dbraw/zinc/06/67/11/949066711.db2.gz TYJWJXYUJCJIGX-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574928938 949066695 /nfs/dbraw/zinc/06/66/95/949066695.db2.gz TYJWJXYUJCJIGX-SNVBAGLBSA-N -1 3 377.380 -0.219 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574928969 949067348 /nfs/dbraw/zinc/06/73/48/949067348.db2.gz UTJCNFYZNAUYCU-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574928969 949067335 /nfs/dbraw/zinc/06/73/35/949067335.db2.gz UTJCNFYZNAUYCU-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574928970 949069807 /nfs/dbraw/zinc/06/98/07/949069807.db2.gz UTJCNFYZNAUYCU-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574928970 949069790 /nfs/dbraw/zinc/06/97/90/949069790.db2.gz UTJCNFYZNAUYCU-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574928981 949071832 /nfs/dbraw/zinc/07/18/32/949071832.db2.gz UXXDUYBTNBRXHB-GFCCVEGCSA-N -1 3 387.448 -0.800 20 0 GBADHM C[C@@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574928981 949071813 /nfs/dbraw/zinc/07/18/13/949071813.db2.gz UXXDUYBTNBRXHB-GFCCVEGCSA-N -1 3 387.448 -0.800 20 0 GBADHM C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574928982 949074246 /nfs/dbraw/zinc/07/42/46/949074246.db2.gz UXXDUYBTNBRXHB-LBPRGKRZSA-N -1 3 387.448 -0.800 20 0 GBADHM C[C@H](CNC(=O)CN1CCN(C)C(=O)C1)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574928982 949074225 /nfs/dbraw/zinc/07/42/25/949074225.db2.gz UXXDUYBTNBRXHB-LBPRGKRZSA-N -1 3 387.448 -0.800 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574929059 949072414 /nfs/dbraw/zinc/07/24/14/949072414.db2.gz XCDQFTKUUOAXEO-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574929059 949072399 /nfs/dbraw/zinc/07/23/99/949072399.db2.gz XCDQFTKUUOAXEO-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574929060 949077998 /nfs/dbraw/zinc/07/79/98/949077998.db2.gz XCDQFTKUUOAXEO-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574929060 949077980 /nfs/dbraw/zinc/07/79/80/949077980.db2.gz XCDQFTKUUOAXEO-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574929063 949076931 /nfs/dbraw/zinc/07/69/31/949076931.db2.gz XGIZHDDLUAUBSE-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574929063 949076915 /nfs/dbraw/zinc/07/69/15/949076915.db2.gz XGIZHDDLUAUBSE-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574929064 949078402 /nfs/dbraw/zinc/07/84/02/949078402.db2.gz XGIZHDDLUAUBSE-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CNC(=O)CNC(=O)C(C)(C)C)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574929064 949078387 /nfs/dbraw/zinc/07/83/87/949078387.db2.gz XGIZHDDLUAUBSE-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574929097 949075713 /nfs/dbraw/zinc/07/57/13/949075713.db2.gz YJKCAKCQTMUOGC-SECBINFHSA-N -1 3 377.384 -0.267 20 0 GBADHM C[C@H](CNC(=O)CN1CCCNC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574929097 949075693 /nfs/dbraw/zinc/07/56/93/949075693.db2.gz YJKCAKCQTMUOGC-SECBINFHSA-N -1 3 377.384 -0.267 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574929098 949079591 /nfs/dbraw/zinc/07/95/91/949079591.db2.gz YJKCAKCQTMUOGC-VIFPVBQESA-N -1 3 377.384 -0.267 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCNC1=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574929098 949079572 /nfs/dbraw/zinc/07/95/72/949079572.db2.gz YJKCAKCQTMUOGC-VIFPVBQESA-N -1 3 377.384 -0.267 20 0 GBADHM C[C@H](CNC(=O)CN1CCNC(=O)C1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574929103 949078519 /nfs/dbraw/zinc/07/85/19/949078519.db2.gz YLNHTRLXHMVCGH-LLVKDONJSA-N -1 3 390.423 -0.622 20 0 GBADHM C[C@H](CNC(=O)CN1CCNC(=O)C1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574929103 949078497 /nfs/dbraw/zinc/07/84/97/949078497.db2.gz YLNHTRLXHMVCGH-LLVKDONJSA-N -1 3 390.423 -0.622 20 0 GBADHM C[C@@H](CNC(=O)CN1CCNC(=O)C1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574929104 949079240 /nfs/dbraw/zinc/07/92/40/949079240.db2.gz YLNHTRLXHMVCGH-NSHDSACASA-N -1 3 390.423 -0.622 20 0 GBADHM C[C@@H](CNC(=O)CN1CCNC(=O)C1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574929104 949079224 /nfs/dbraw/zinc/07/92/24/949079224.db2.gz YLNHTRLXHMVCGH-NSHDSACASA-N -1 3 390.423 -0.622 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574929113 949076564 /nfs/dbraw/zinc/07/65/64/949076564.db2.gz YPMOMHUZTAULSZ-LLVKDONJSA-N -1 3 391.407 -0.195 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574929113 949076545 /nfs/dbraw/zinc/07/65/45/949076545.db2.gz YPMOMHUZTAULSZ-LLVKDONJSA-N -1 3 391.407 -0.195 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574929114 949075218 /nfs/dbraw/zinc/07/52/18/949075218.db2.gz YPMOMHUZTAULSZ-NSHDSACASA-N -1 3 391.407 -0.195 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574929114 949075203 /nfs/dbraw/zinc/07/52/03/949075203.db2.gz YPMOMHUZTAULSZ-NSHDSACASA-N -1 3 391.407 -0.195 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574929127 949076663 /nfs/dbraw/zinc/07/66/63/949076663.db2.gz YWHDXMMZMFCDRV-JTQLQIEISA-N -1 3 380.434 -0.786 20 0 GBADHM C[C@@H](CNC(=O)CN1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574929127 949076644 /nfs/dbraw/zinc/07/66/44/949076644.db2.gz YWHDXMMZMFCDRV-JTQLQIEISA-N -1 3 380.434 -0.786 20 0 GBADHM C[C@H](CNC(=O)CN1CCCS1(=O)=O)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574929128 949077142 /nfs/dbraw/zinc/07/71/42/949077142.db2.gz YWHDXMMZMFCDRV-SNVBAGLBSA-N -1 3 380.434 -0.786 20 0 GBADHM C[C@H](CNC(=O)CN1CCCS1(=O)=O)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574929128 949077123 /nfs/dbraw/zinc/07/71/23/949077123.db2.gz YWHDXMMZMFCDRV-SNVBAGLBSA-N -1 3 380.434 -0.786 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574929147 949083287 /nfs/dbraw/zinc/08/32/87/949083287.db2.gz ZIEJVADIUNTUQK-LLVKDONJSA-N -1 3 378.412 -0.326 20 0 GBADHM C[C@H](CNC(=O)CN1CCOCC1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574929147 949083269 /nfs/dbraw/zinc/08/32/69/949083269.db2.gz ZIEJVADIUNTUQK-LLVKDONJSA-N -1 3 378.412 -0.326 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574929148 949080005 /nfs/dbraw/zinc/08/00/05/949080005.db2.gz ZIEJVADIUNTUQK-NSHDSACASA-N -1 3 378.412 -0.326 20 0 GBADHM C[C@@H](CNC(=O)CN1CCOCC1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574929148 949079985 /nfs/dbraw/zinc/07/99/85/949079985.db2.gz ZIEJVADIUNTUQK-NSHDSACASA-N -1 3 378.412 -0.326 20 0 GBADHM C[C@H](CNC(=O)COC1CCOCC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574929225 949086955 /nfs/dbraw/zinc/08/69/55/949086955.db2.gz AWYUUSARVFWHQY-LLVKDONJSA-N -1 3 391.432 -0.128 20 0 GBADHM C[C@H](CNC(=O)COC1CCOCC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574929225 949086937 /nfs/dbraw/zinc/08/69/37/949086937.db2.gz AWYUUSARVFWHQY-LLVKDONJSA-N -1 3 391.432 -0.128 20 0 GBADHM C[C@@H](CNC(=O)COC1CCOCC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574929226 949085519 /nfs/dbraw/zinc/08/55/19/949085519.db2.gz AWYUUSARVFWHQY-NSHDSACASA-N -1 3 391.432 -0.128 20 0 GBADHM C[C@@H](CNC(=O)COC1CCOCC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574929226 949085499 /nfs/dbraw/zinc/08/54/99/949085499.db2.gz AWYUUSARVFWHQY-NSHDSACASA-N -1 3 391.432 -0.128 20 0 GBADHM C[C@@H](CNC(=O)COC[C@H]1CCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574929227 949089135 /nfs/dbraw/zinc/08/91/35/949089135.db2.gz AXWZZJYOHBEMIQ-CMPLNLGQSA-N 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C[C@H](CNC(=O)COC[C@H]1CCCO1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574929230 949088282 /nfs/dbraw/zinc/08/82/82/949088282.db2.gz AXWZZJYOHBEMIQ-ZYHUDNBSSA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574929230 949088262 /nfs/dbraw/zinc/08/82/62/949088262.db2.gz AXWZZJYOHBEMIQ-ZYHUDNBSSA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574929323 949093855 /nfs/dbraw/zinc/09/38/55/949093855.db2.gz CXFIWAGXSZEOFG-AAEUAGOBSA-N -1 3 391.432 -0.128 20 0 GBADHM C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574929323 949093852 /nfs/dbraw/zinc/09/38/52/949093852.db2.gz CXFIWAGXSZEOFG-AAEUAGOBSA-N -1 3 391.432 -0.128 20 0 GBADHM C[C@H](CNC(=O)COC[C@H]1CCCO1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574929324 949090448 /nfs/dbraw/zinc/09/04/48/949090448.db2.gz CXFIWAGXSZEOFG-DGCLKSJQSA-N -1 3 391.432 -0.128 20 0 GBADHM 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C[C@H](CNC(=O)COC1CCOCC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574930207 949105756 /nfs/dbraw/zinc/10/57/56/949105756.db2.gz JWKVHOQRZVNNFZ-LLVKDONJSA-N -1 3 391.432 -0.128 20 0 GBADHM C[C@H](CNC(=O)COC1CCOCC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574930207 949105742 /nfs/dbraw/zinc/10/57/42/949105742.db2.gz JWKVHOQRZVNNFZ-LLVKDONJSA-N -1 3 391.432 -0.128 20 0 GBADHM C[C@@H](CNC(=O)COC1CCOCC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574930208 949106639 /nfs/dbraw/zinc/10/66/39/949106639.db2.gz JWKVHOQRZVNNFZ-NSHDSACASA-N -1 3 391.432 -0.128 20 0 GBADHM C[C@@H](CNC(=O)COC1CCOCC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574930208 949106627 /nfs/dbraw/zinc/10/66/27/949106627.db2.gz JWKVHOQRZVNNFZ-NSHDSACASA-N -1 3 391.432 -0.128 20 0 GBADHM C[C@H](CNC(=O)COC[C@H]1CCOC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574930610 949105192 /nfs/dbraw/zinc/10/51/92/949105192.db2.gz KRNANDWOEYGBFM-NEPJUHHUSA-N -1 3 391.432 -0.270 20 0 GBADHM C[C@H](CNC(=O)COC[C@H]1CCOC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574930610 949105179 /nfs/dbraw/zinc/10/51/79/949105179.db2.gz KRNANDWOEYGBFM-NEPJUHHUSA-N -1 3 391.432 -0.270 20 0 GBADHM C[C@@H](CNC(=O)COC[C@@H]1CCOC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574930611 949104602 /nfs/dbraw/zinc/10/46/02/949104602.db2.gz KRNANDWOEYGBFM-NWDGAFQWSA-N -1 3 391.432 -0.270 20 0 GBADHM C[C@@H](CNC(=O)COC[C@@H]1CCOC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574930611 949104592 /nfs/dbraw/zinc/10/45/92/949104592.db2.gz KRNANDWOEYGBFM-NWDGAFQWSA-N -1 3 391.432 -0.270 20 0 GBADHM C[C@@H](CNC(=O)COC[C@H]1CCOC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574930613 949104448 /nfs/dbraw/zinc/10/44/48/949104448.db2.gz KRNANDWOEYGBFM-RYUDHWBXSA-N -1 3 391.432 -0.270 20 0 GBADHM C[C@@H](CNC(=O)COC[C@H]1CCOC1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574930613 949104436 /nfs/dbraw/zinc/10/44/36/949104436.db2.gz KRNANDWOEYGBFM-RYUDHWBXSA-N -1 3 391.432 -0.270 20 0 GBADHM C[C@H](CNC(=O)COC[C@@H]1CCOC1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574930615 949107340 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PIURDSJCYPQKCQ-WDEREUQCSA-N -1 3 377.405 -0.518 20 0 GBADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574931465 949117471 /nfs/dbraw/zinc/11/74/71/949117471.db2.gz PIURDSJCYPQKCQ-WDEREUQCSA-N -1 3 377.405 -0.518 20 0 GBADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574931523 949122246 /nfs/dbraw/zinc/12/22/46/949122246.db2.gz QJXSGULMDOEKGH-GHMZBOCLSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CNC(=O)CO[C@@H]1CCOC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574931523 949122221 /nfs/dbraw/zinc/12/22/21/949122221.db2.gz QJXSGULMDOEKGH-GHMZBOCLSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574931525 949119761 /nfs/dbraw/zinc/11/97/61/949119761.db2.gz QJXSGULMDOEKGH-MNOVXSKESA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CNC(=O)CO[C@H]1CCOC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574931525 949119749 /nfs/dbraw/zinc/11/97/49/949119749.db2.gz QJXSGULMDOEKGH-MNOVXSKESA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574931526 949120387 /nfs/dbraw/zinc/12/03/87/949120387.db2.gz QJXSGULMDOEKGH-QWRGUYRKSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CNC(=O)CO[C@H]1CCOC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574931526 949120371 /nfs/dbraw/zinc/12/03/71/949120371.db2.gz QJXSGULMDOEKGH-QWRGUYRKSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574931527 949120515 /nfs/dbraw/zinc/12/05/15/949120515.db2.gz QJXSGULMDOEKGH-WDEREUQCSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CNC(=O)CO[C@@H]1CCOC1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574931527 949120499 /nfs/dbraw/zinc/12/04/99/949120499.db2.gz QJXSGULMDOEKGH-WDEREUQCSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CNC(=O)COC[C@H]1CCOC1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574931702 949120005 /nfs/dbraw/zinc/12/00/05/949120005.db2.gz QWVQFERNZFXAHS-NEPJUHHUSA-N -1 3 391.432 -0.270 20 0 GBADHM 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C[C@H](CNC(=O)CS(C)(=O)=O)N(C)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574934503 949164161 /nfs/dbraw/zinc/16/41/61/949164161.db2.gz JQECRIVPSQVFDU-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](CNC(=O)COCc1nncn1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574934528 949162522 /nfs/dbraw/zinc/16/25/22/949162522.db2.gz KGKBIROCIOUOEZ-SECBINFHSA-N -1 3 390.383 -0.337 20 0 GBADHM C[C@H](CNC(=O)COCc1nncn1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574934528 949162506 /nfs/dbraw/zinc/16/25/06/949162506.db2.gz KGKBIROCIOUOEZ-SECBINFHSA-N -1 3 390.383 -0.337 20 0 GBADHM C[C@@H](CNC(=O)COCc1nncn1C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574934529 949162686 /nfs/dbraw/zinc/16/26/86/949162686.db2.gz KGKBIROCIOUOEZ-VIFPVBQESA-N -1 3 390.383 -0.337 20 0 GBADHM C[C@@H](CNC(=O)COCc1nncn1C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574934529 949162675 /nfs/dbraw/zinc/16/26/75/949162675.db2.gz KGKBIROCIOUOEZ-VIFPVBQESA-N -1 3 390.383 -0.337 20 0 GBADHM C[C@@H](CNC(=O)COc1cnn(C)c1)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934592 949167768 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LUANHGOZEQNAHX-JTQLQIEISA-N -1 3 387.404 -0.511 20 0 GBADHM C[C@H](CNC(=O)COc1cnn(C)c1)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574934599 949168314 /nfs/dbraw/zinc/16/83/14/949168314.db2.gz LUANHGOZEQNAHX-SNVBAGLBSA-N -1 3 387.404 -0.511 20 0 GBADHM C[C@H](CNC(=O)COc1cnn(C)c1)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574934599 949168301 /nfs/dbraw/zinc/16/83/01/949168301.db2.gz LUANHGOZEQNAHX-SNVBAGLBSA-N -1 3 387.404 -0.511 20 0 GBADHM C[C@@H](CNC(=O)COCc1nccn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574934624 949170936 /nfs/dbraw/zinc/17/09/36/949170936.db2.gz MKJQGSSJWJBHAG-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@@H](CNC(=O)COCc1nccn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574934624 949170917 /nfs/dbraw/zinc/17/09/17/949170917.db2.gz MKJQGSSJWJBHAG-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)COCc1nccn1C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574934625 949172046 /nfs/dbraw/zinc/17/20/46/949172046.db2.gz MKJQGSSJWJBHAG-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)COCc1nccn1C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574934625 949172024 /nfs/dbraw/zinc/17/20/24/949172024.db2.gz MKJQGSSJWJBHAG-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)CS(C)(=O)=O)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574934628 949172813 /nfs/dbraw/zinc/17/28/13/949172813.db2.gz MNEZWXLDDKBFKW-MRVPVSSYSA-N -1 3 387.853 -0.099 20 0 GBADHM C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001574934629 949171444 /nfs/dbraw/zinc/17/14/44/949171444.db2.gz MNEZWXLDDKBFKW-QMMMGPOBSA-N -1 3 387.853 -0.099 20 0 GBADHM C[C@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574934668 949172410 /nfs/dbraw/zinc/17/24/10/949172410.db2.gz NORVZVSRQXWJBV-JTQLQIEISA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574934668 949172402 /nfs/dbraw/zinc/17/24/02/949172402.db2.gz NORVZVSRQXWJBV-JTQLQIEISA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574934669 949169836 /nfs/dbraw/zinc/16/98/36/949169836.db2.gz NORVZVSRQXWJBV-SNVBAGLBSA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574934669 949169824 /nfs/dbraw/zinc/16/98/24/949169824.db2.gz NORVZVSRQXWJBV-SNVBAGLBSA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@@H](CNC(=O)COCc1nccn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934694 949172294 /nfs/dbraw/zinc/17/22/94/949172294.db2.gz OIVYBAGGNCSGJI-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@@H](CNC(=O)COCc1nccn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934694 949172283 /nfs/dbraw/zinc/17/22/83/949172283.db2.gz OIVYBAGGNCSGJI-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)COCc1nccn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934695 949176025 /nfs/dbraw/zinc/17/60/25/949176025.db2.gz OIVYBAGGNCSGJI-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)COCc1nccn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934695 949176013 /nfs/dbraw/zinc/17/60/13/949176013.db2.gz OIVYBAGGNCSGJI-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574934702 949175499 /nfs/dbraw/zinc/17/54/99/949175499.db2.gz OUANTCRDUCQGJE-JTQLQIEISA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](CNC(=O)CS(C)(=O)=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001574934703 949176955 /nfs/dbraw/zinc/17/69/55/949176955.db2.gz OUANTCRDUCQGJE-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574934748 949174386 /nfs/dbraw/zinc/17/43/86/949174386.db2.gz PUGPEBAWSDVHMB-JTQLQIEISA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574934748 949174378 /nfs/dbraw/zinc/17/43/78/949174378.db2.gz PUGPEBAWSDVHMB-JTQLQIEISA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574934749 949176756 /nfs/dbraw/zinc/17/67/56/949176756.db2.gz PUGPEBAWSDVHMB-SNVBAGLBSA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574934749 949176753 /nfs/dbraw/zinc/17/67/53/949176753.db2.gz PUGPEBAWSDVHMB-SNVBAGLBSA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574934768 949175047 /nfs/dbraw/zinc/17/50/47/949175047.db2.gz QDMIJBBUJHWRBZ-JTQLQIEISA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574934768 949175033 /nfs/dbraw/zinc/17/50/33/949175033.db2.gz QDMIJBBUJHWRBZ-JTQLQIEISA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574934769 949174313 /nfs/dbraw/zinc/17/43/13/949174313.db2.gz QDMIJBBUJHWRBZ-SNVBAGLBSA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@H](CNC(=O)CS(=O)(=O)N(C)C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574934769 949174302 /nfs/dbraw/zinc/17/43/02/949174302.db2.gz QDMIJBBUJHWRBZ-SNVBAGLBSA-N -1 3 382.450 -0.906 20 0 GBADHM C[C@H](CNC(=O)COCc1nncn1C)CNc1ncccc1-c1nn[n-]n1 ZINC001574934774 949176449 /nfs/dbraw/zinc/17/64/49/949176449.db2.gz QGRDGEPIUBQNMG-LLVKDONJSA-N -1 3 386.420 -0.229 20 0 GBADHM C[C@H](CNC(=O)COCc1nncn1C)CNc1ncccc1-c1nnn[n-]1 ZINC001574934774 949176440 /nfs/dbraw/zinc/17/64/40/949176440.db2.gz QGRDGEPIUBQNMG-LLVKDONJSA-N -1 3 386.420 -0.229 20 0 GBADHM C[C@@H](CNC(=O)COCc1nncn1C)CNc1ncccc1-c1nn[n-]n1 ZINC001574934775 949179468 /nfs/dbraw/zinc/17/94/68/949179468.db2.gz QGRDGEPIUBQNMG-NSHDSACASA-N -1 3 386.420 -0.229 20 0 GBADHM C[C@@H](CNC(=O)COCc1nncn1C)CNc1ncccc1-c1nnn[n-]1 ZINC001574934775 949179454 /nfs/dbraw/zinc/17/94/54/949179454.db2.gz QGRDGEPIUBQNMG-NSHDSACASA-N -1 3 386.420 -0.229 20 0 GBADHM C[C@@H](CNC(=O)COc1cnn(C)c1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934778 949180162 /nfs/dbraw/zinc/18/01/62/949180162.db2.gz QJVLUUYZYBGWSA-JTQLQIEISA-N -1 3 387.404 -0.511 20 0 GBADHM C[C@@H](CNC(=O)COc1cnn(C)c1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934778 949180153 /nfs/dbraw/zinc/18/01/53/949180153.db2.gz QJVLUUYZYBGWSA-JTQLQIEISA-N -1 3 387.404 -0.511 20 0 GBADHM C[C@H](CNC(=O)COc1cnn(C)c1)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934779 949179984 /nfs/dbraw/zinc/17/99/84/949179984.db2.gz QJVLUUYZYBGWSA-SNVBAGLBSA-N -1 3 387.404 -0.511 20 0 GBADHM C[C@H](CNC(=O)COc1cnn(C)c1)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934779 949179977 /nfs/dbraw/zinc/17/99/77/949179977.db2.gz QJVLUUYZYBGWSA-SNVBAGLBSA-N -1 3 387.404 -0.511 20 0 GBADHM C[C@@H](CNC(=O)COCc1nccn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934832 949180625 /nfs/dbraw/zinc/18/06/25/949180625.db2.gz SCQQHOXHOCCDLA-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@@H](CNC(=O)COCc1nccn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934832 949180621 /nfs/dbraw/zinc/18/06/21/949180621.db2.gz SCQQHOXHOCCDLA-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)COCc1nccn1C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574934833 949180233 /nfs/dbraw/zinc/18/02/33/949180233.db2.gz SCQQHOXHOCCDLA-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)COCc1nccn1C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574934833 949180218 /nfs/dbraw/zinc/18/02/18/949180218.db2.gz SCQQHOXHOCCDLA-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001574934860 949183150 /nfs/dbraw/zinc/18/31/50/949183150.db2.gz SRZUJEYJKVFISD-JTQLQIEISA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@@H](CNC(=O)CS(C)(=O)=O)N(C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574934860 949183139 /nfs/dbraw/zinc/18/31/39/949183139.db2.gz SRZUJEYJKVFISD-JTQLQIEISA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](CNC(=O)CS(C)(=O)=O)N(C)Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001574934861 949183584 /nfs/dbraw/zinc/18/35/84/949183584.db2.gz SRZUJEYJKVFISD-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@H](CNC(=O)CS(C)(=O)=O)N(C)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001574934861 949183574 /nfs/dbraw/zinc/18/35/74/949183574.db2.gz SRZUJEYJKVFISD-SNVBAGLBSA-N -1 3 384.437 -0.013 20 0 GBADHM C[C@@H](CNC(=O)COCc1nncn1C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574934876 949182465 /nfs/dbraw/zinc/18/24/65/949182465.db2.gz UCDKARMOPMQQTD-LLVKDONJSA-N -1 3 386.420 -0.229 20 0 GBADHM C[C@@H](CNC(=O)COCc1nncn1C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574934876 949182457 /nfs/dbraw/zinc/18/24/57/949182457.db2.gz UCDKARMOPMQQTD-LLVKDONJSA-N -1 3 386.420 -0.229 20 0 GBADHM C[C@H](CNC(=O)COCc1nncn1C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574934877 949184994 /nfs/dbraw/zinc/18/49/94/949184994.db2.gz UCDKARMOPMQQTD-NSHDSACASA-N -1 3 386.420 -0.229 20 0 GBADHM C[C@H](CNC(=O)COCc1nncn1C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574934877 949184981 /nfs/dbraw/zinc/18/49/81/949184981.db2.gz UCDKARMOPMQQTD-NSHDSACASA-N -1 3 386.420 -0.229 20 0 GBADHM C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ncccc1-c1nn[n-]n1 ZINC001574934910 949183679 /nfs/dbraw/zinc/18/36/79/949183679.db2.gz UTDCODVNKIWQOZ-JTQLQIEISA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ncccc1-c1nnn[n-]1 ZINC001574934910 949183666 /nfs/dbraw/zinc/18/36/66/949183666.db2.gz UTDCODVNKIWQOZ-JTQLQIEISA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ncccc1-c1nn[n-]n1 ZINC001574934911 949182951 /nfs/dbraw/zinc/18/29/51/949182951.db2.gz UTDCODVNKIWQOZ-SNVBAGLBSA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ncccc1-c1nnn[n-]1 ZINC001574934911 949182938 /nfs/dbraw/zinc/18/29/38/949182938.db2.gz UTDCODVNKIWQOZ-SNVBAGLBSA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@@H](CNC(=O)COCc1ccnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934978 949187466 /nfs/dbraw/zinc/18/74/66/949187466.db2.gz WEWXUNMTSLUQSQ-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@@H](CNC(=O)COCc1ccnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934978 949187458 /nfs/dbraw/zinc/18/74/58/949187458.db2.gz WEWXUNMTSLUQSQ-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)COCc1ccnn1C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574934979 949187092 /nfs/dbraw/zinc/18/70/92/949187092.db2.gz WEWXUNMTSLUQSQ-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)COCc1ccnn1C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574934979 949187082 /nfs/dbraw/zinc/18/70/82/949187082.db2.gz WEWXUNMTSLUQSQ-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)COCc1nncn1C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574935046 949192050 /nfs/dbraw/zinc/19/20/50/949192050.db2.gz XXPXTDIFDQLKQU-LLVKDONJSA-N -1 3 386.420 -0.452 20 0 GBADHM C[C@H](CNC(=O)COCc1nncn1C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574935046 949192038 /nfs/dbraw/zinc/19/20/38/949192038.db2.gz XXPXTDIFDQLKQU-LLVKDONJSA-N -1 3 386.420 -0.452 20 0 GBADHM C[C@@H](CNC(=O)COCc1nncn1C)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574935047 949191547 /nfs/dbraw/zinc/19/15/47/949191547.db2.gz XXPXTDIFDQLKQU-NSHDSACASA-N -1 3 386.420 -0.452 20 0 GBADHM C[C@@H](CNC(=O)COCc1nncn1C)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574935047 949191536 /nfs/dbraw/zinc/19/15/36/949191536.db2.gz XXPXTDIFDQLKQU-NSHDSACASA-N -1 3 386.420 -0.452 20 0 GBADHM C[C@H](CNC(=O)CS(=O)(=O)N(C)C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574935050 949191690 /nfs/dbraw/zinc/19/16/90/949191690.db2.gz YEQOOGYGGRKRGQ-SECBINFHSA-N -1 3 385.425 -0.186 20 0 GBADHM C[C@H](CNC(=O)CS(=O)(=O)N(C)C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574935050 949191677 /nfs/dbraw/zinc/19/16/77/949191677.db2.gz YEQOOGYGGRKRGQ-SECBINFHSA-N -1 3 385.425 -0.186 20 0 GBADHM C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574935051 949192214 /nfs/dbraw/zinc/19/22/14/949192214.db2.gz YEQOOGYGGRKRGQ-VIFPVBQESA-N -1 3 385.425 -0.186 20 0 GBADHM C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574935051 949192210 /nfs/dbraw/zinc/19/22/10/949192210.db2.gz YEQOOGYGGRKRGQ-VIFPVBQESA-N -1 3 385.425 -0.186 20 0 GBADHM C[C@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574935118 949195045 /nfs/dbraw/zinc/19/50/45/949195045.db2.gz ZKJNBZVQRRCMKQ-JTQLQIEISA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574935118 949195026 /nfs/dbraw/zinc/19/50/26/949195026.db2.gz ZKJNBZVQRRCMKQ-JTQLQIEISA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574935119 949195383 /nfs/dbraw/zinc/19/53/83/949195383.db2.gz ZKJNBZVQRRCMKQ-SNVBAGLBSA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@@H](CNC(=O)CS(=O)(=O)N(C)C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574935119 949195375 /nfs/dbraw/zinc/19/53/75/949195375.db2.gz ZKJNBZVQRRCMKQ-SNVBAGLBSA-N -1 3 382.450 -0.683 20 0 GBADHM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)nc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574937778 949232799 /nfs/dbraw/zinc/23/27/99/949232799.db2.gz QLWFPYVKPYCHSV-JTQLQIEISA-N -1 3 381.400 -0.085 20 0 GBADHM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)nc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574937778 949232779 /nfs/dbraw/zinc/23/27/79/949232779.db2.gz QLWFPYVKPYCHSV-JTQLQIEISA-N -1 3 381.400 -0.085 20 0 GBADHM C[C@H](CNC(=O)Cc1ccc(C(N)=O)nc1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574937779 949231841 /nfs/dbraw/zinc/23/18/41/949231841.db2.gz QLWFPYVKPYCHSV-SNVBAGLBSA-N -1 3 381.400 -0.085 20 0 GBADHM C[C@H](CNC(=O)Cc1ccc(C(N)=O)nc1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574937779 949231814 /nfs/dbraw/zinc/23/18/14/949231814.db2.gz QLWFPYVKPYCHSV-SNVBAGLBSA-N -1 3 381.400 -0.085 20 0 GBADHM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)nc1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574938663 949245124 /nfs/dbraw/zinc/24/51/24/949245124.db2.gz YMVZKEVTVODBLX-JTQLQIEISA-N -1 3 381.400 -0.085 20 0 GBADHM C[C@@H](CNC(=O)Cc1ccc(C(N)=O)nc1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574938663 949245101 /nfs/dbraw/zinc/24/51/01/949245101.db2.gz YMVZKEVTVODBLX-JTQLQIEISA-N -1 3 381.400 -0.085 20 0 GBADHM C[C@H](CNC(=O)Cc1ccc(C(N)=O)nc1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574938664 949244923 /nfs/dbraw/zinc/24/49/23/949244923.db2.gz YMVZKEVTVODBLX-SNVBAGLBSA-N -1 3 381.400 -0.085 20 0 GBADHM C[C@H](CNC(=O)Cc1ccc(C(N)=O)nc1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574938664 949244904 /nfs/dbraw/zinc/24/49/04/949244904.db2.gz YMVZKEVTVODBLX-SNVBAGLBSA-N -1 3 381.400 -0.085 20 0 GBADHM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574944377 949392132 /nfs/dbraw/zinc/39/21/32/949392132.db2.gz CBLFKMFJSSCFNM-MRVPVSSYSA-N -1 3 391.367 -0.697 20 0 GBADHM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)[NH2+]Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001574944378 949394024 /nfs/dbraw/zinc/39/40/24/949394024.db2.gz CBLFKMFJSSCFNM-QMMMGPOBSA-N -1 3 391.367 -0.697 20 0 GBADHM C[C@@H](CNC(=O)Cc1nc2ncccn2n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574945007 949404883 /nfs/dbraw/zinc/40/48/83/949404883.db2.gz IODYWOPFFIGIKJ-JTQLQIEISA-N -1 3 379.388 -0.141 20 0 GBADHM C[C@@H](CNC(=O)Cc1nc2ncccn2n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574945007 949404865 /nfs/dbraw/zinc/40/48/65/949404865.db2.gz IODYWOPFFIGIKJ-JTQLQIEISA-N -1 3 379.388 -0.141 20 0 GBADHM C[C@H](CNC(=O)Cc1nc2ncccn2n1)Nc1ncccc1-c1nn[n-]n1 ZINC001574945008 949404255 /nfs/dbraw/zinc/40/42/55/949404255.db2.gz IODYWOPFFIGIKJ-SNVBAGLBSA-N -1 3 379.388 -0.141 20 0 GBADHM C[C@H](CNC(=O)Cc1nc2ncccn2n1)Nc1ncccc1-c1nnn[n-]1 ZINC001574945008 949404237 /nfs/dbraw/zinc/40/42/37/949404237.db2.gz IODYWOPFFIGIKJ-SNVBAGLBSA-N -1 3 379.388 -0.141 20 0 GBADHM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574945065 949407404 /nfs/dbraw/zinc/40/74/04/949407404.db2.gz JWVVFLZPZDUAFS-JTQLQIEISA-N -1 3 387.404 -0.494 20 0 GBADHM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574945065 949407394 /nfs/dbraw/zinc/40/73/94/949407394.db2.gz JWVVFLZPZDUAFS-JTQLQIEISA-N -1 3 387.404 -0.494 20 0 GBADHM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574945066 949404580 /nfs/dbraw/zinc/40/45/80/949404580.db2.gz JWVVFLZPZDUAFS-SNVBAGLBSA-N -1 3 387.404 -0.494 20 0 GBADHM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001574945066 949404568 /nfs/dbraw/zinc/40/45/68/949404568.db2.gz JWVVFLZPZDUAFS-SNVBAGLBSA-N -1 3 387.404 -0.494 20 0 GBADHM C[C@@H](CNC(=O)Cc1[nH]nc2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574946572 949434691 /nfs/dbraw/zinc/43/46/91/949434691.db2.gz VQBNSQXIQPOBLK-JTQLQIEISA-N -1 3 382.432 -0.160 20 0 GBADHM C[C@@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574946572 949434669 /nfs/dbraw/zinc/43/46/69/949434669.db2.gz VQBNSQXIQPOBLK-JTQLQIEISA-N -1 3 382.432 -0.160 20 0 GBADHM C[C@H](CNC(=O)Cc1[nH]nc2c1CCCC2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574946573 949433537 /nfs/dbraw/zinc/43/35/37/949433537.db2.gz VQBNSQXIQPOBLK-SNVBAGLBSA-N -1 3 382.432 -0.160 20 0 GBADHM C[C@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574946573 949433525 /nfs/dbraw/zinc/43/35/25/949433525.db2.gz VQBNSQXIQPOBLK-SNVBAGLBSA-N -1 3 382.432 -0.160 20 0 GBADHM C[C@H](CNC(=O)Cn1ncn(C)c1=O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574947406 949448946 /nfs/dbraw/zinc/44/89/46/949448946.db2.gz AJZYMZCETIIVEY-JTQLQIEISA-N -1 3 389.395 -0.235 20 0 GBADHM C[C@H](CNC(=O)Cn1ncn(C)c1=O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574947406 949448925 /nfs/dbraw/zinc/44/89/25/949448925.db2.gz AJZYMZCETIIVEY-JTQLQIEISA-N -1 3 389.395 -0.235 20 0 GBADHM C[C@@H](CNC(=O)Cn1ncn(C)c1=O)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574947408 949447464 /nfs/dbraw/zinc/44/74/64/949447464.db2.gz AJZYMZCETIIVEY-SNVBAGLBSA-N -1 3 389.395 -0.235 20 0 GBADHM C[C@@H](CNC(=O)Cn1ncn(C)c1=O)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574947408 949447455 /nfs/dbraw/zinc/44/74/55/949447455.db2.gz AJZYMZCETIIVEY-SNVBAGLBSA-N -1 3 389.395 -0.235 20 0 GBADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574947488 949449908 /nfs/dbraw/zinc/44/99/08/949449908.db2.gz BKBXKCHGROGSHC-SECBINFHSA-N -1 3 384.404 -0.402 20 0 GBADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574947488 949449892 /nfs/dbraw/zinc/44/98/92/949449892.db2.gz BKBXKCHGROGSHC-SECBINFHSA-N -1 3 384.404 -0.402 20 0 GBADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574947490 949449074 /nfs/dbraw/zinc/44/90/74/949449074.db2.gz BKBXKCHGROGSHC-VIFPVBQESA-N -1 3 384.404 -0.402 20 0 GBADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574947490 949449054 /nfs/dbraw/zinc/44/90/54/949449054.db2.gz BKBXKCHGROGSHC-VIFPVBQESA-N -1 3 384.404 -0.402 20 0 GBADHM C[C@@](CNC(=O)Cn1nccn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574947567 949447274 /nfs/dbraw/zinc/44/72/74/949447274.db2.gz CRRAMACAOFPAOJ-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@@](CNC(=O)Cn1nccn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574947567 949447258 /nfs/dbraw/zinc/44/72/58/949447258.db2.gz CRRAMACAOFPAOJ-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)Cn1nccn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574947569 949446684 /nfs/dbraw/zinc/44/66/84/949446684.db2.gz CRRAMACAOFPAOJ-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)Cn1nccn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574947569 949446665 /nfs/dbraw/zinc/44/66/65/949446665.db2.gz CRRAMACAOFPAOJ-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574947936 949459145 /nfs/dbraw/zinc/45/91/45/949459145.db2.gz GBZNXEXARYGLFR-JTQLQIEISA-N -1 3 385.388 -0.612 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574947936 949459133 /nfs/dbraw/zinc/45/91/33/949459133.db2.gz GBZNXEXARYGLFR-JTQLQIEISA-N -1 3 385.388 -0.612 20 0 GBADHM C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ncccc1-c1nn[n-]n1 ZINC001574947938 949458034 /nfs/dbraw/zinc/45/80/34/949458034.db2.gz GBZNXEXARYGLFR-SNVBAGLBSA-N -1 3 385.388 -0.612 20 0 GBADHM C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ncccc1-c1nnn[n-]1 ZINC001574947938 949458019 /nfs/dbraw/zinc/45/80/19/949458019.db2.gz GBZNXEXARYGLFR-SNVBAGLBSA-N -1 3 385.388 -0.612 20 0 GBADHM C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574948227 949455736 /nfs/dbraw/zinc/45/57/36/949455736.db2.gz GWTYIDFQVWIVOV-JTQLQIEISA-N -1 3 385.388 -0.612 20 0 GBADHM C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574948227 949455716 /nfs/dbraw/zinc/45/57/16/949455716.db2.gz GWTYIDFQVWIVOV-JTQLQIEISA-N -1 3 385.388 -0.612 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574948229 949455962 /nfs/dbraw/zinc/45/59/62/949455962.db2.gz GWTYIDFQVWIVOV-SNVBAGLBSA-N -1 3 385.388 -0.612 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574948229 949455941 /nfs/dbraw/zinc/45/59/41/949455941.db2.gz GWTYIDFQVWIVOV-SNVBAGLBSA-N -1 3 385.388 -0.612 20 0 GBADHM C[C@H](CNC(=O)Cn1ccccc1=O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574948495 949467739 /nfs/dbraw/zinc/46/77/39/949467739.db2.gz JWAKVMJBEFBDTE-LLVKDONJSA-N -1 3 384.400 -0.461 20 0 GBADHM C[C@H](CNC(=O)Cn1ccccc1=O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574948495 949467722 /nfs/dbraw/zinc/46/77/22/949467722.db2.gz JWAKVMJBEFBDTE-LLVKDONJSA-N -1 3 384.400 -0.461 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccccc1=O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574948496 949466001 /nfs/dbraw/zinc/46/60/01/949466001.db2.gz JWAKVMJBEFBDTE-NSHDSACASA-N -1 3 384.400 -0.461 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccccc1=O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574948496 949465990 /nfs/dbraw/zinc/46/59/90/949465990.db2.gz JWAKVMJBEFBDTE-NSHDSACASA-N -1 3 384.400 -0.461 20 0 GBADHM C[C@@](CNC(=O)Cn1cncn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574948546 949467163 /nfs/dbraw/zinc/46/71/63/949467163.db2.gz LBSAVWFVHVEJQR-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@@](CNC(=O)Cn1cncn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574948546 949467150 /nfs/dbraw/zinc/46/71/50/949467150.db2.gz LBSAVWFVHVEJQR-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)Cn1cncn1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574948549 949466783 /nfs/dbraw/zinc/46/67/83/949466783.db2.gz LBSAVWFVHVEJQR-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)Cn1cncn1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574948549 949466770 /nfs/dbraw/zinc/46/67/70/949466770.db2.gz LBSAVWFVHVEJQR-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@H](CNC(=O)Cn1ncn(C)c1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574948728 949474170 /nfs/dbraw/zinc/47/41/70/949474170.db2.gz MDDONFVVEHODCV-SECBINFHSA-N -1 3 390.383 -0.840 20 0 GBADHM C[C@H](CNC(=O)Cn1ncn(C)c1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574948728 949474159 /nfs/dbraw/zinc/47/41/59/949474159.db2.gz MDDONFVVEHODCV-SECBINFHSA-N -1 3 390.383 -0.840 20 0 GBADHM C[C@@H](CNC(=O)Cn1ncn(C)c1=O)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574948732 949472033 /nfs/dbraw/zinc/47/20/33/949472033.db2.gz MDDONFVVEHODCV-VIFPVBQESA-N -1 3 390.383 -0.840 20 0 GBADHM C[C@@H](CNC(=O)Cn1ncn(C)c1=O)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574948732 949472020 /nfs/dbraw/zinc/47/20/20/949472020.db2.gz MDDONFVVEHODCV-VIFPVBQESA-N -1 3 390.383 -0.840 20 0 GBADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574948814 949473827 /nfs/dbraw/zinc/47/38/27/949473827.db2.gz MTTHVJORIKHIBI-MRVPVSSYSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574948814 949473815 /nfs/dbraw/zinc/47/38/15/949473815.db2.gz MTTHVJORIKHIBI-MRVPVSSYSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574948818 949470544 /nfs/dbraw/zinc/47/05/44/949470544.db2.gz MTTHVJORIKHIBI-QMMMGPOBSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574948818 949470526 /nfs/dbraw/zinc/47/05/26/949470526.db2.gz MTTHVJORIKHIBI-QMMMGPOBSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574948835 949472466 /nfs/dbraw/zinc/47/24/66/949472466.db2.gz NHGHMQDOUSUKFM-SECBINFHSA-N -1 3 384.404 -0.402 20 0 GBADHM C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574948835 949472455 /nfs/dbraw/zinc/47/24/55/949472455.db2.gz NHGHMQDOUSUKFM-SECBINFHSA-N -1 3 384.404 -0.402 20 0 GBADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574948836 949473028 /nfs/dbraw/zinc/47/30/28/949473028.db2.gz NHGHMQDOUSUKFM-VIFPVBQESA-N -1 3 384.404 -0.402 20 0 GBADHM C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574948836 949473012 /nfs/dbraw/zinc/47/30/12/949473012.db2.gz NHGHMQDOUSUKFM-VIFPVBQESA-N -1 3 384.404 -0.402 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574949069 949482711 /nfs/dbraw/zinc/48/27/11/949482711.db2.gz QEIZCZFOSBTMIC-JTQLQIEISA-N -1 3 385.388 -0.835 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574949069 949482698 /nfs/dbraw/zinc/48/26/98/949482698.db2.gz QEIZCZFOSBTMIC-JTQLQIEISA-N -1 3 385.388 -0.835 20 0 GBADHM C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001574949070 949480098 /nfs/dbraw/zinc/48/00/98/949480098.db2.gz QEIZCZFOSBTMIC-SNVBAGLBSA-N -1 3 385.388 -0.835 20 0 GBADHM C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001574949070 949480079 /nfs/dbraw/zinc/48/00/79/949480079.db2.gz QEIZCZFOSBTMIC-SNVBAGLBSA-N -1 3 385.388 -0.835 20 0 GBADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574949099 949480047 /nfs/dbraw/zinc/48/00/47/949480047.db2.gz QRSQQUUGFZGPBX-MRVPVSSYSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574949099 949480031 /nfs/dbraw/zinc/48/00/31/949480031.db2.gz QRSQQUUGFZGPBX-MRVPVSSYSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574949100 949482127 /nfs/dbraw/zinc/48/21/27/949482127.db2.gz QRSQQUUGFZGPBX-QMMMGPOBSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574949100 949482119 /nfs/dbraw/zinc/48/21/19/949482119.db2.gz QRSQQUUGFZGPBX-QMMMGPOBSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@](CNC(=O)Cn1nccn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574949342 949489182 /nfs/dbraw/zinc/48/91/82/949489182.db2.gz UJNFGVYDKNEGBF-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@@](CNC(=O)Cn1nccn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574949342 949489165 /nfs/dbraw/zinc/48/91/65/949489165.db2.gz UJNFGVYDKNEGBF-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)Cn1nccn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574949343 949489807 /nfs/dbraw/zinc/48/98/07/949489807.db2.gz UJNFGVYDKNEGBF-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)Cn1nccn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574949343 949489797 /nfs/dbraw/zinc/48/97/97/949489797.db2.gz UJNFGVYDKNEGBF-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@@](CNC(=O)Cn1cncn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574949344 949491120 /nfs/dbraw/zinc/49/11/20/949491120.db2.gz UPSYONJWFJTXFI-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@@](CNC(=O)Cn1cncn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574949344 949491110 /nfs/dbraw/zinc/49/11/10/949491110.db2.gz UPSYONJWFJTXFI-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)Cn1cncn1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574949345 949491673 /nfs/dbraw/zinc/49/16/73/949491673.db2.gz UPSYONJWFJTXFI-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)Cn1cncn1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574949345 949491665 /nfs/dbraw/zinc/49/16/65/949491665.db2.gz UPSYONJWFJTXFI-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@H](CNC(=O)Cn1ccccc1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574949358 949488566 /nfs/dbraw/zinc/48/85/66/949488566.db2.gz UVLOLZZVMOZWAK-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@H](CNC(=O)Cn1ccccc1=O)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574949358 949488545 /nfs/dbraw/zinc/48/85/45/949488545.db2.gz UVLOLZZVMOZWAK-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccccc1=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574949359 949489227 /nfs/dbraw/zinc/48/92/27/949489227.db2.gz UVLOLZZVMOZWAK-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccccc1=O)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574949359 949489212 /nfs/dbraw/zinc/48/92/12/949489212.db2.gz UVLOLZZVMOZWAK-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574949388 949495368 /nfs/dbraw/zinc/49/53/68/949495368.db2.gz VMHNSINSRSTQHI-MRVPVSSYSA-N -1 3 388.367 -0.687 20 0 GBADHM C[C@H](CNC(=O)Cn1cnc(C(N)=O)n1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574949388 949495352 /nfs/dbraw/zinc/49/53/52/949495352.db2.gz VMHNSINSRSTQHI-MRVPVSSYSA-N -1 3 388.367 -0.687 20 0 GBADHM C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574949389 949495198 /nfs/dbraw/zinc/49/51/98/949495198.db2.gz VMHNSINSRSTQHI-QMMMGPOBSA-N -1 3 388.367 -0.687 20 0 GBADHM C[C@@H](CNC(=O)Cn1cnc(C(N)=O)n1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574949389 949495183 /nfs/dbraw/zinc/49/51/83/949495183.db2.gz VMHNSINSRSTQHI-QMMMGPOBSA-N -1 3 388.367 -0.687 20 0 GBADHM C[C@H](CNC(=O)Cn1ccccc1=O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574949452 949492800 /nfs/dbraw/zinc/49/28/00/949492800.db2.gz WUSZCTRAQIPEJM-LLVKDONJSA-N -1 3 384.400 -0.461 20 0 GBADHM C[C@H](CNC(=O)Cn1ccccc1=O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574949452 949492783 /nfs/dbraw/zinc/49/27/83/949492783.db2.gz WUSZCTRAQIPEJM-LLVKDONJSA-N -1 3 384.400 -0.461 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccccc1=O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574949453 949493056 /nfs/dbraw/zinc/49/30/56/949493056.db2.gz WUSZCTRAQIPEJM-NSHDSACASA-N -1 3 384.400 -0.461 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccccc1=O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574949453 949493032 /nfs/dbraw/zinc/49/30/32/949493032.db2.gz WUSZCTRAQIPEJM-NSHDSACASA-N -1 3 384.400 -0.461 20 0 GBADHM C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574949469 949499083 /nfs/dbraw/zinc/49/90/83/949499083.db2.gz XHYIXDRYNYNYLH-JTQLQIEISA-N -1 3 385.388 -0.612 20 0 GBADHM C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574949469 949499069 /nfs/dbraw/zinc/49/90/69/949499069.db2.gz XHYIXDRYNYNYLH-JTQLQIEISA-N -1 3 385.388 -0.612 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001574949470 949498059 /nfs/dbraw/zinc/49/80/59/949498059.db2.gz XHYIXDRYNYNYLH-SNVBAGLBSA-N -1 3 385.388 -0.612 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001574949470 949498042 /nfs/dbraw/zinc/49/80/42/949498042.db2.gz XHYIXDRYNYNYLH-SNVBAGLBSA-N -1 3 385.388 -0.612 20 0 GBADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574949575 949499320 /nfs/dbraw/zinc/49/93/20/949499320.db2.gz XZLQVSQXHNIGNA-MRVPVSSYSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@H](CNC(=O)Cn1cc(Cl)cn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574949575 949499312 /nfs/dbraw/zinc/49/93/12/949499312.db2.gz XZLQVSQXHNIGNA-MRVPVSSYSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574949576 949501212 /nfs/dbraw/zinc/50/12/12/949501212.db2.gz XZLQVSQXHNIGNA-QMMMGPOBSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@H](CNC(=O)Cn1cc(Cl)cn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574949576 949501196 /nfs/dbraw/zinc/50/11/96/949501196.db2.gz XZLQVSQXHNIGNA-QMMMGPOBSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574949601 949499647 /nfs/dbraw/zinc/49/96/47/949499647.db2.gz YKAOYKHUKDBJFW-JTQLQIEISA-N -1 3 385.388 -0.835 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574949601 949499632 /nfs/dbraw/zinc/49/96/32/949499632.db2.gz YKAOYKHUKDBJFW-JTQLQIEISA-N -1 3 385.388 -0.835 20 0 GBADHM C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574949602 949497702 /nfs/dbraw/zinc/49/77/02/949497702.db2.gz YKAOYKHUKDBJFW-SNVBAGLBSA-N -1 3 385.388 -0.835 20 0 GBADHM C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574949602 949497683 /nfs/dbraw/zinc/49/76/83/949497683.db2.gz YKAOYKHUKDBJFW-SNVBAGLBSA-N -1 3 385.388 -0.835 20 0 GBADHM C[C@H](CNC(=O)Cn1cnnn1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574949636 949498412 /nfs/dbraw/zinc/49/84/12/949498412.db2.gz ZEGQGKLGMTXILE-MRVPVSSYSA-N -1 3 377.800 -0.234 20 0 GBADHM C[C@H](CNC(=O)Cn1cnnn1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574949636 949498403 /nfs/dbraw/zinc/49/84/03/949498403.db2.gz ZEGQGKLGMTXILE-MRVPVSSYSA-N -1 3 377.800 -0.234 20 0 GBADHM C[C@@H](CNC(=O)Cn1cnnn1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574949637 949500915 /nfs/dbraw/zinc/50/09/15/949500915.db2.gz ZEGQGKLGMTXILE-QMMMGPOBSA-N -1 3 377.800 -0.234 20 0 GBADHM C[C@@H](CNC(=O)Cn1cnnn1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574949637 949500910 /nfs/dbraw/zinc/50/09/10/949500910.db2.gz ZEGQGKLGMTXILE-QMMMGPOBSA-N -1 3 377.800 -0.234 20 0 GBADHM C[C@@](CNC(=O)Cn1cncn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574949650 949505830 /nfs/dbraw/zinc/50/58/30/949505830.db2.gz ZVHOPZXMZULUOE-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@@](CNC(=O)Cn1cncn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574949650 949505814 /nfs/dbraw/zinc/50/58/14/949505814.db2.gz ZVHOPZXMZULUOE-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)Cn1cncn1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574949651 949502632 /nfs/dbraw/zinc/50/26/32/949502632.db2.gz ZVHOPZXMZULUOE-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)Cn1cncn1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574949651 949502612 /nfs/dbraw/zinc/50/26/12/949502612.db2.gz ZVHOPZXMZULUOE-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574949652 949504764 /nfs/dbraw/zinc/50/47/64/949504764.db2.gz ZVLGMNXHJLJJRF-JTQLQIEISA-N -1 3 385.388 -0.835 20 0 GBADHM C[C@@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574949652 949504745 /nfs/dbraw/zinc/50/47/45/949504745.db2.gz ZVLGMNXHJLJJRF-JTQLQIEISA-N -1 3 385.388 -0.835 20 0 GBADHM C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001574949653 949502749 /nfs/dbraw/zinc/50/27/49/949502749.db2.gz ZVLGMNXHJLJJRF-SNVBAGLBSA-N -1 3 385.388 -0.835 20 0 GBADHM C[C@H](CNC(=O)Cn1ccc(=O)[nH]c1=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001574949653 949502731 /nfs/dbraw/zinc/50/27/31/949502731.db2.gz ZVLGMNXHJLJJRF-SNVBAGLBSA-N -1 3 385.388 -0.835 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574949832 949515782 /nfs/dbraw/zinc/51/57/82/949515782.db2.gz DYFMRVOWPXRSOJ-SCZZXKLOSA-N -1 3 390.379 -0.455 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574949832 949515762 /nfs/dbraw/zinc/51/57/62/949515762.db2.gz DYFMRVOWPXRSOJ-SCZZXKLOSA-N -1 3 390.379 -0.455 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574949833 949512831 /nfs/dbraw/zinc/51/28/31/949512831.db2.gz DYFMRVOWPXRSOJ-WPRPVWTQSA-N -1 3 390.379 -0.455 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574949833 949512813 /nfs/dbraw/zinc/51/28/13/949512813.db2.gz DYFMRVOWPXRSOJ-WPRPVWTQSA-N -1 3 390.379 -0.455 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574949962 949526214 /nfs/dbraw/zinc/52/62/14/949526214.db2.gz IDWYXIHJOKDULE-KCJUWKMLSA-N -1 3 390.379 -0.232 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574949962 949526197 /nfs/dbraw/zinc/52/61/97/949526197.db2.gz IDWYXIHJOKDULE-KCJUWKMLSA-N -1 3 390.379 -0.232 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)CNc1cccc(F)c1-c1nn[n-]n1 ZINC001574949963 949522881 /nfs/dbraw/zinc/52/28/81/949522881.db2.gz IDWYXIHJOKDULE-KWQFWETISA-N -1 3 390.379 -0.232 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)CNc1cccc(F)c1-c1nnn[n-]1 ZINC001574949963 949522872 /nfs/dbraw/zinc/52/28/72/949522872.db2.gz IDWYXIHJOKDULE-KWQFWETISA-N -1 3 390.379 -0.232 20 0 GBADHM C[C@](CNC(=O)[C@@H]1CCC(=O)N1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574950241 949534833 /nfs/dbraw/zinc/53/48/33/949534833.db2.gz MYAMICIXWWWPOY-APPDUMDISA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)[C@@H]1CCC(=O)N1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574950241 949534812 /nfs/dbraw/zinc/53/48/12/949534812.db2.gz MYAMICIXWWWPOY-APPDUMDISA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)[C@@H]1CCC(=O)N1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574950243 949534446 /nfs/dbraw/zinc/53/44/46/949534446.db2.gz MYAMICIXWWWPOY-GTNSWQLSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)[C@@H]1CCC(=O)N1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574950243 949534426 /nfs/dbraw/zinc/53/44/26/949534426.db2.gz MYAMICIXWWWPOY-GTNSWQLSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)[C@@H]1CCC(=O)N1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574950449 949538722 /nfs/dbraw/zinc/53/87/22/949538722.db2.gz OSLVAOYSYJEGRO-APPDUMDISA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)[C@@H]1CCC(=O)N1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574950449 949538702 /nfs/dbraw/zinc/53/87/02/949538702.db2.gz OSLVAOYSYJEGRO-APPDUMDISA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)[C@@H]1CCC(=O)N1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574950450 949539384 /nfs/dbraw/zinc/53/93/84/949539384.db2.gz OSLVAOYSYJEGRO-GTNSWQLSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)[C@@H]1CCC(=O)N1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574950450 949539367 /nfs/dbraw/zinc/53/93/67/949539367.db2.gz OSLVAOYSYJEGRO-GTNSWQLSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](CNC(=O)Cn1ncn(C)c1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574950451 949537135 /nfs/dbraw/zinc/53/71/35/949537135.db2.gz OTNZPBUYJPPVGV-MRVPVSSYSA-N -1 3 392.811 -0.573 20 0 GBADHM C[C@H](CNC(=O)Cn1ncn(C)c1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574950451 949537123 /nfs/dbraw/zinc/53/71/23/949537123.db2.gz OTNZPBUYJPPVGV-MRVPVSSYSA-N -1 3 392.811 -0.573 20 0 GBADHM C[C@@H](CNC(=O)Cn1ncn(C)c1=O)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574950458 949537422 /nfs/dbraw/zinc/53/74/22/949537422.db2.gz OTNZPBUYJPPVGV-QMMMGPOBSA-N -1 3 392.811 -0.573 20 0 GBADHM C[C@@H](CNC(=O)Cn1ncn(C)c1=O)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574950458 949537387 /nfs/dbraw/zinc/53/73/87/949537387.db2.gz OTNZPBUYJPPVGV-QMMMGPOBSA-N -1 3 392.811 -0.573 20 0 GBADHM C[C@](CNC(=O)[C@@H]1CCC(=O)N1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574950666 949539800 /nfs/dbraw/zinc/53/98/00/949539800.db2.gz QUDYJFXZHYLZHJ-APPDUMDISA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)[C@@H]1CCC(=O)N1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574950666 949539784 /nfs/dbraw/zinc/53/97/84/949539784.db2.gz QUDYJFXZHYLZHJ-APPDUMDISA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)[C@@H]1CCC(=O)N1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574950667 949540295 /nfs/dbraw/zinc/54/02/95/949540295.db2.gz QUDYJFXZHYLZHJ-GTNSWQLSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)[C@@H]1CCC(=O)N1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574950667 949540280 /nfs/dbraw/zinc/54/02/80/949540280.db2.gz QUDYJFXZHYLZHJ-GTNSWQLSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](CNC(=O)Cn1ncnn1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574950765 949543642 /nfs/dbraw/zinc/54/36/42/949543642.db2.gz UDQGUPHYFINCKR-MRVPVSSYSA-N -1 3 377.800 -0.234 20 0 GBADHM C[C@H](CNC(=O)Cn1ncnn1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574950765 949543624 /nfs/dbraw/zinc/54/36/24/949543624.db2.gz UDQGUPHYFINCKR-MRVPVSSYSA-N -1 3 377.800 -0.234 20 0 GBADHM C[C@@H](CNC(=O)Cn1ncnn1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574950767 949542383 /nfs/dbraw/zinc/54/23/83/949542383.db2.gz UDQGUPHYFINCKR-QMMMGPOBSA-N -1 3 377.800 -0.234 20 0 GBADHM C[C@@H](CNC(=O)Cn1ncnn1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574950767 949542368 /nfs/dbraw/zinc/54/23/68/949542368.db2.gz UDQGUPHYFINCKR-QMMMGPOBSA-N -1 3 377.800 -0.234 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574951006 949548498 /nfs/dbraw/zinc/54/84/98/949548498.db2.gz VZESECOSWQCJQY-XCBNKYQSSA-N -1 3 376.352 -0.480 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574951006 949548484 /nfs/dbraw/zinc/54/84/84/949548484.db2.gz VZESECOSWQCJQY-XCBNKYQSSA-N -1 3 376.352 -0.480 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574951007 949547283 /nfs/dbraw/zinc/54/72/83/949547283.db2.gz VZESECOSWQCJQY-XVKPBYJWSA-N -1 3 376.352 -0.480 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CC(=O)NC(=O)N1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574951007 949547275 /nfs/dbraw/zinc/54/72/75/949547275.db2.gz VZESECOSWQCJQY-XVKPBYJWSA-N -1 3 376.352 -0.480 20 0 GBADHM C[C@@H](CNC(=O)Cn1ncn(C)c1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574951056 949554053 /nfs/dbraw/zinc/55/40/53/949554053.db2.gz XKGMESZRKXDHEQ-JTQLQIEISA-N -1 3 389.395 -0.458 20 0 GBADHM C[C@@H](CNC(=O)Cn1ncn(C)c1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574951056 949554029 /nfs/dbraw/zinc/55/40/29/949554029.db2.gz XKGMESZRKXDHEQ-JTQLQIEISA-N -1 3 389.395 -0.458 20 0 GBADHM C[C@H](CNC(=O)Cn1ncn(C)c1=O)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574951057 949551415 /nfs/dbraw/zinc/55/14/15/949551415.db2.gz XKGMESZRKXDHEQ-SNVBAGLBSA-N -1 3 389.395 -0.458 20 0 GBADHM C[C@H](CNC(=O)Cn1ncn(C)c1=O)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574951057 949551399 /nfs/dbraw/zinc/55/13/99/949551399.db2.gz XKGMESZRKXDHEQ-SNVBAGLBSA-N -1 3 389.395 -0.458 20 0 GBADHM C[C@H](CNC(=O)Cn1ncn(C)c1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574951227 949554897 /nfs/dbraw/zinc/55/48/97/949554897.db2.gz XWGVBGJHSWNQJF-SECBINFHSA-N -1 3 375.368 -0.482 20 0 GBADHM C[C@H](CNC(=O)Cn1ncn(C)c1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574951227 949554890 /nfs/dbraw/zinc/55/48/90/949554890.db2.gz XWGVBGJHSWNQJF-SECBINFHSA-N -1 3 375.368 -0.482 20 0 GBADHM C[C@@H](CNC(=O)Cn1ncn(C)c1=O)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574951228 949552320 /nfs/dbraw/zinc/55/23/20/949552320.db2.gz XWGVBGJHSWNQJF-VIFPVBQESA-N -1 3 375.368 -0.482 20 0 GBADHM C[C@@H](CNC(=O)Cn1ncn(C)c1=O)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574951228 949552307 /nfs/dbraw/zinc/55/23/07/949552307.db2.gz XWGVBGJHSWNQJF-VIFPVBQESA-N -1 3 375.368 -0.482 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574956970 949591113 /nfs/dbraw/zinc/59/11/13/949591113.db2.gz OPYYGRFOMSDNMF-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574956970 949591096 /nfs/dbraw/zinc/59/10/96/949591096.db2.gz OPYYGRFOMSDNMF-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574956974 949595690 /nfs/dbraw/zinc/59/56/90/949595690.db2.gz OPYYGRFOMSDNMF-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574956974 949595675 /nfs/dbraw/zinc/59/56/75/949595675.db2.gz OPYYGRFOMSDNMF-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574956983 949593068 /nfs/dbraw/zinc/59/30/68/949593068.db2.gz OXZGOGJWLCXQMG-KCJUWKMLSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574956983 949593044 /nfs/dbraw/zinc/59/30/44/949593044.db2.gz OXZGOGJWLCXQMG-KCJUWKMLSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574956984 949594089 /nfs/dbraw/zinc/59/40/89/949594089.db2.gz OXZGOGJWLCXQMG-KWQFWETISA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574956984 949594073 /nfs/dbraw/zinc/59/40/73/949594073.db2.gz OXZGOGJWLCXQMG-KWQFWETISA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574957214 949602803 /nfs/dbraw/zinc/60/28/03/949602803.db2.gz SRDKHFHWRJTQTG-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574957214 949602798 /nfs/dbraw/zinc/60/27/98/949602798.db2.gz SRDKHFHWRJTQTG-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574957215 949602725 /nfs/dbraw/zinc/60/27/25/949602725.db2.gz SRDKHFHWRJTQTG-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574957215 949602719 /nfs/dbraw/zinc/60/27/19/949602719.db2.gz SRDKHFHWRJTQTG-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574957313 949602225 /nfs/dbraw/zinc/60/22/25/949602225.db2.gz UYBUCYFGACAPQL-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574957313 949602214 /nfs/dbraw/zinc/60/22/14/949602214.db2.gz UYBUCYFGACAPQL-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574957314 949604793 /nfs/dbraw/zinc/60/47/93/949604793.db2.gz UYBUCYFGACAPQL-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574957314 949604779 /nfs/dbraw/zinc/60/47/79/949604779.db2.gz UYBUCYFGACAPQL-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574957473 949615859 /nfs/dbraw/zinc/61/58/59/949615859.db2.gz YRVQHRJRYDBDFE-CABZTGNLSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574957473 949615846 /nfs/dbraw/zinc/61/58/46/949615846.db2.gz YRVQHRJRYDBDFE-CABZTGNLSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574957474 949613998 /nfs/dbraw/zinc/61/39/98/949613998.db2.gz YRVQHRJRYDBDFE-SKDRFNHKSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574957474 949613988 /nfs/dbraw/zinc/61/39/88/949613988.db2.gz YRVQHRJRYDBDFE-SKDRFNHKSA-N -1 3 391.411 -0.115 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574957703 949629436 /nfs/dbraw/zinc/62/94/36/949629436.db2.gz GMBVFSDDKSGVPD-RNCFNFMXSA-N -1 3 382.388 -0.443 20 0 GBADHM C[C@H](CNC(=O)[C@@H]1Cc2cncn2C(=O)N1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574957703 949629422 /nfs/dbraw/zinc/62/94/22/949629422.db2.gz GMBVFSDDKSGVPD-RNCFNFMXSA-N -1 3 382.388 -0.443 20 0 GBADHM 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C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574959840 949720353 /nfs/dbraw/zinc/72/03/53/949720353.db2.gz VBYFSEJKXSOMRL-TVYUQYBPSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574962458 949735721 /nfs/dbraw/zinc/73/57/21/949735721.db2.gz ARMYMLUJDXHJLF-JIMOISOXSA-N -1 3 391.407 -0.020 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574962458 949735702 /nfs/dbraw/zinc/73/57/02/949735702.db2.gz ARMYMLUJDXHJLF-JIMOISOXSA-N -1 3 391.407 -0.020 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001574962459 949736339 /nfs/dbraw/zinc/73/63/39/949736339.db2.gz ARMYMLUJDXHJLF-TVYUQYBPSA-N -1 3 391.407 -0.020 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)N(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001574962459 949736321 /nfs/dbraw/zinc/73/63/21/949736321.db2.gz ARMYMLUJDXHJLF-TVYUQYBPSA-N -1 3 391.407 -0.020 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574962509 949735196 /nfs/dbraw/zinc/73/51/96/949735196.db2.gz AZBGERRSDQGMDW-BXKDBHETSA-N -1 3 376.396 -0.038 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574962509 949735181 /nfs/dbraw/zinc/73/51/81/949735181.db2.gz AZBGERRSDQGMDW-BXKDBHETSA-N -1 3 376.396 -0.038 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574962510 949736286 /nfs/dbraw/zinc/73/62/86/949736286.db2.gz AZBGERRSDQGMDW-JOYOIKCWSA-N -1 3 376.396 -0.038 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574962510 949736266 /nfs/dbraw/zinc/73/62/66/949736266.db2.gz AZBGERRSDQGMDW-JOYOIKCWSA-N -1 3 376.396 -0.038 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574962557 949741903 /nfs/dbraw/zinc/74/19/03/949741903.db2.gz BMALPFZIEKHCGY-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574962557 949741888 /nfs/dbraw/zinc/74/18/88/949741888.db2.gz BMALPFZIEKHCGY-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574962558 949740822 /nfs/dbraw/zinc/74/08/22/949740822.db2.gz BMALPFZIEKHCGY-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574962558 949740811 /nfs/dbraw/zinc/74/08/11/949740811.db2.gz BMALPFZIEKHCGY-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574962875 949743689 /nfs/dbraw/zinc/74/36/89/949743689.db2.gz DICGGGMAQIQWOG-BKDNQFJXSA-N -1 3 378.368 -0.650 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574962875 949743667 /nfs/dbraw/zinc/74/36/67/949743667.db2.gz DICGGGMAQIQWOG-BKDNQFJXSA-N -1 3 378.368 -0.650 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001574962878 949743365 /nfs/dbraw/zinc/74/33/65/949743365.db2.gz DICGGGMAQIQWOG-PPKCKEKNSA-N -1 3 378.368 -0.650 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001574962878 949743348 /nfs/dbraw/zinc/74/33/48/949743348.db2.gz DICGGGMAQIQWOG-PPKCKEKNSA-N -1 3 378.368 -0.650 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574962971 949742695 /nfs/dbraw/zinc/74/26/95/949742695.db2.gz GMXJSUHYGNPBBH-JFUSQASVSA-N -1 3 392.395 -0.402 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574962971 949742680 /nfs/dbraw/zinc/74/26/80/949742680.db2.gz GMXJSUHYGNPBBH-JFUSQASVSA-N -1 3 392.395 -0.402 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574962972 949745645 /nfs/dbraw/zinc/74/56/45/949745645.db2.gz GMXJSUHYGNPBBH-KPXOXKRLSA-N -1 3 392.395 -0.402 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001574962972 949745622 /nfs/dbraw/zinc/74/56/22/949745622.db2.gz GMXJSUHYGNPBBH-KPXOXKRLSA-N -1 3 392.395 -0.402 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574963597 949756199 /nfs/dbraw/zinc/75/61/99/949756199.db2.gz JZFRMVZNQBMCGI-BKDNQFJXSA-N -1 3 394.823 -0.135 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574963597 949756170 /nfs/dbraw/zinc/75/61/70/949756170.db2.gz JZFRMVZNQBMCGI-BKDNQFJXSA-N -1 3 394.823 -0.135 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001574963603 949755137 /nfs/dbraw/zinc/75/51/37/949755137.db2.gz JZFRMVZNQBMCGI-PPKCKEKNSA-N -1 3 394.823 -0.135 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001574963603 949755121 /nfs/dbraw/zinc/75/51/21/949755121.db2.gz JZFRMVZNQBMCGI-PPKCKEKNSA-N -1 3 394.823 -0.135 20 0 GBADHM C[C@@](CNC(=O)[C@H]1CCC(=O)N1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574963773 949758470 /nfs/dbraw/zinc/75/84/70/949758470.db2.gz MYAMICIXWWWPOY-DIFFPNOSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)[C@H]1CCC(=O)N1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574963773 949758452 /nfs/dbraw/zinc/75/84/52/949758452.db2.gz MYAMICIXWWWPOY-DIFFPNOSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)[C@H]1CCC(=O)N1)(NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001574963774 949760585 /nfs/dbraw/zinc/76/05/85/949760585.db2.gz MYAMICIXWWWPOY-PIGZYNQJSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)[C@H]1CCC(=O)N1)(NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C1CC1 ZINC001574963774 949760572 /nfs/dbraw/zinc/76/05/72/949760572.db2.gz MYAMICIXWWWPOY-PIGZYNQJSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)[C@H]1CCC(=O)N1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574964039 949764988 /nfs/dbraw/zinc/76/49/88/949764988.db2.gz OSLVAOYSYJEGRO-DIFFPNOSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)[C@H]1CCC(=O)N1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574964039 949764972 /nfs/dbraw/zinc/76/49/72/949764972.db2.gz OSLVAOYSYJEGRO-DIFFPNOSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)[C@H]1CCC(=O)N1)(NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001574964040 949763719 /nfs/dbraw/zinc/76/37/19/949763719.db2.gz OSLVAOYSYJEGRO-PIGZYNQJSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)[C@H]1CCC(=O)N1)(NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001574964040 949763704 /nfs/dbraw/zinc/76/37/04/949763704.db2.gz OSLVAOYSYJEGRO-PIGZYNQJSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)[C@H]1CCC(=O)N1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574964144 949764537 /nfs/dbraw/zinc/76/45/37/949764537.db2.gz QUDYJFXZHYLZHJ-DIFFPNOSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)[C@H]1CCC(=O)N1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574964144 949764523 /nfs/dbraw/zinc/76/45/23/949764523.db2.gz QUDYJFXZHYLZHJ-DIFFPNOSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)[C@H]1CCC(=O)N1)(NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001574964146 949765852 /nfs/dbraw/zinc/76/58/52/949765852.db2.gz QUDYJFXZHYLZHJ-PIGZYNQJSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)[C@H]1CCC(=O)N1)(NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001574964146 949765834 /nfs/dbraw/zinc/76/58/34/949765834.db2.gz QUDYJFXZHYLZHJ-PIGZYNQJSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574964175 949766163 /nfs/dbraw/zinc/76/61/63/949766163.db2.gz RMNRCJZODDDMRE-JFUSQASVSA-N -1 3 377.380 -0.045 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574964175 949766124 /nfs/dbraw/zinc/76/61/24/949766124.db2.gz RMNRCJZODDDMRE-JFUSQASVSA-N -1 3 377.380 -0.045 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001574964178 949767535 /nfs/dbraw/zinc/76/75/35/949767535.db2.gz RMNRCJZODDDMRE-KPXOXKRLSA-N -1 3 377.380 -0.045 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001574964178 949767517 /nfs/dbraw/zinc/76/75/17/949767517.db2.gz RMNRCJZODDDMRE-KPXOXKRLSA-N -1 3 377.380 -0.045 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574964460 949777830 /nfs/dbraw/zinc/77/78/30/949777830.db2.gz XCOXTLCWRMLGLN-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574964460 949777816 /nfs/dbraw/zinc/77/78/16/949777816.db2.gz XCOXTLCWRMLGLN-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574964462 949774543 /nfs/dbraw/zinc/77/45/43/949774543.db2.gz XCOXTLCWRMLGLN-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574964462 949774533 /nfs/dbraw/zinc/77/45/33/949774533.db2.gz XCOXTLCWRMLGLN-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001574966685 949857298 /nfs/dbraw/zinc/85/72/98/949857298.db2.gz BGPHMZCFUNYLRC-GWCFXTLKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001574966685 949857273 /nfs/dbraw/zinc/85/72/73/949857273.db2.gz BGPHMZCFUNYLRC-GWCFXTLKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001574966688 949853721 /nfs/dbraw/zinc/85/37/21/949853721.db2.gz BGPHMZCFUNYLRC-GXFFZTMASA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001574966688 949853704 /nfs/dbraw/zinc/85/37/04/949853704.db2.gz BGPHMZCFUNYLRC-GXFFZTMASA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001574966690 949856025 /nfs/dbraw/zinc/85/60/25/949856025.db2.gz BGPHMZCFUNYLRC-MFKMUULPSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H]1CCCC(=O)N1C ZINC001574966690 949856003 /nfs/dbraw/zinc/85/60/03/949856003.db2.gz BGPHMZCFUNYLRC-MFKMUULPSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001574966692 949854079 /nfs/dbraw/zinc/85/40/79/949854079.db2.gz BGPHMZCFUNYLRC-ZWNOBZJWSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1CCCC(=O)N1C ZINC001574966692 949854056 /nfs/dbraw/zinc/85/40/56/949854056.db2.gz BGPHMZCFUNYLRC-ZWNOBZJWSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574966931 949862865 /nfs/dbraw/zinc/86/28/65/949862865.db2.gz CSGIRHVAMILMDH-SECBINFHSA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574966931 949862859 /nfs/dbraw/zinc/86/28/59/949862859.db2.gz CSGIRHVAMILMDH-SECBINFHSA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574966933 949858885 /nfs/dbraw/zinc/85/88/85/949858885.db2.gz CSGIRHVAMILMDH-VIFPVBQESA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574966933 949858864 /nfs/dbraw/zinc/85/88/64/949858864.db2.gz CSGIRHVAMILMDH-VIFPVBQESA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ccc(=O)n(C)n1 ZINC001574966936 949862987 /nfs/dbraw/zinc/86/29/87/949862987.db2.gz CYWMHNQNPVDPKG-SECBINFHSA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ccc(=O)n(C)n1 ZINC001574966936 949862961 /nfs/dbraw/zinc/86/29/61/949862961.db2.gz CYWMHNQNPVDPKG-SECBINFHSA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ccc(=O)n(C)n1 ZINC001574966940 949860047 /nfs/dbraw/zinc/86/00/47/949860047.db2.gz CYWMHNQNPVDPKG-VIFPVBQESA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ccc(=O)n(C)n1 ZINC001574966940 949860028 /nfs/dbraw/zinc/86/00/28/949860028.db2.gz CYWMHNQNPVDPKG-VIFPVBQESA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001574966998 949863326 /nfs/dbraw/zinc/86/33/26/949863326.db2.gz DHCKWPLDJRCOLU-BDAKNGLRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001574967000 949858679 /nfs/dbraw/zinc/85/86/79/949858679.db2.gz DHCKWPLDJRCOLU-DTWKUNHWSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001574967003 949860896 /nfs/dbraw/zinc/86/08/96/949860896.db2.gz DHCKWPLDJRCOLU-IUCAKERBSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](C(=O)NC[C@@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC001574967005 949859836 /nfs/dbraw/zinc/85/98/36/949859836.db2.gz DHCKWPLDJRCOLU-RKDXNWHRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ccn(C)c(=O)c1 ZINC001574967037 949863051 /nfs/dbraw/zinc/86/30/51/949863051.db2.gz DWRLSRRMLLAHHY-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ccn(C)c(=O)c1 ZINC001574967037 949863034 /nfs/dbraw/zinc/86/30/34/949863034.db2.gz DWRLSRRMLLAHHY-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ccn(C)c(=O)c1 ZINC001574967040 949862301 /nfs/dbraw/zinc/86/23/01/949862301.db2.gz DWRLSRRMLLAHHY-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ccn(C)c(=O)c1 ZINC001574967040 949862281 /nfs/dbraw/zinc/86/22/81/949862281.db2.gz DWRLSRRMLLAHHY-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H](C)N1CCOCC1 ZINC001574967239 949865176 /nfs/dbraw/zinc/86/51/76/949865176.db2.gz FIYKELCQZNUGSE-NEPJUHHUSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H](C)N1CCOCC1 ZINC001574967239 949865155 /nfs/dbraw/zinc/86/51/55/949865155.db2.gz FIYKELCQZNUGSE-NEPJUHHUSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H](C)N1CCOCC1 ZINC001574967240 949865060 /nfs/dbraw/zinc/86/50/60/949865060.db2.gz FIYKELCQZNUGSE-RYUDHWBXSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H](C)N1CCOCC1 ZINC001574967240 949865032 /nfs/dbraw/zinc/86/50/32/949865032.db2.gz FIYKELCQZNUGSE-RYUDHWBXSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cn(C)c(=O)n1C ZINC001574967295 949873238 /nfs/dbraw/zinc/87/32/38/949873238.db2.gz GVUFTOPFQRNSTQ-SECBINFHSA-N -1 3 387.404 -0.972 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cn(C)c(=O)n1C ZINC001574967295 949873209 /nfs/dbraw/zinc/87/32/09/949873209.db2.gz GVUFTOPFQRNSTQ-SECBINFHSA-N -1 3 387.404 -0.972 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cn(C)c(=O)n1C ZINC001574967296 949869420 /nfs/dbraw/zinc/86/94/20/949869420.db2.gz GVUFTOPFQRNSTQ-VIFPVBQESA-N -1 3 387.404 -0.972 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cn(C)c(=O)n1C ZINC001574967296 949869392 /nfs/dbraw/zinc/86/93/92/949869392.db2.gz GVUFTOPFQRNSTQ-VIFPVBQESA-N -1 3 387.404 -0.972 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cccc(=O)n1C ZINC001574967327 949873622 /nfs/dbraw/zinc/87/36/22/949873622.db2.gz HHRKBLCFZUMVIZ-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cccc(=O)n1C ZINC001574967327 949873605 /nfs/dbraw/zinc/87/36/05/949873605.db2.gz HHRKBLCFZUMVIZ-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cccc(=O)n1C ZINC001574967329 949869894 /nfs/dbraw/zinc/86/98/94/949869894.db2.gz HHRKBLCFZUMVIZ-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cccc(=O)n1C ZINC001574967329 949869871 /nfs/dbraw/zinc/86/98/71/949869871.db2.gz HHRKBLCFZUMVIZ-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1OCCO[C@H]1C ZINC001574967362 949868707 /nfs/dbraw/zinc/86/87/07/949868707.db2.gz HNBNHKWXVJNIDW-KWBADKCTSA-N -1 3 377.405 -0.519 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1OCCO[C@H]1C ZINC001574967362 949868691 /nfs/dbraw/zinc/86/86/91/949868691.db2.gz HNBNHKWXVJNIDW-KWBADKCTSA-N -1 3 377.405 -0.519 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1OCCO[C@H]1C ZINC001574967364 949870808 /nfs/dbraw/zinc/87/08/08/949870808.db2.gz HNBNHKWXVJNIDW-NRUUGDAUSA-N -1 3 377.405 -0.519 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1OCCO[C@H]1C ZINC001574967364 949870791 /nfs/dbraw/zinc/87/07/91/949870791.db2.gz HNBNHKWXVJNIDW-NRUUGDAUSA-N -1 3 377.405 -0.519 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001574967609 949869941 /nfs/dbraw/zinc/86/99/41/949869941.db2.gz IFZMHYFUHADOJN-BMLIUANNSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001574967609 949869921 /nfs/dbraw/zinc/86/99/21/949869921.db2.gz IFZMHYFUHADOJN-BMLIUANNSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574967611 949872824 /nfs/dbraw/zinc/87/28/24/949872824.db2.gz IFZMHYFUHADOJN-BTDLBPIBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574967611 949872804 /nfs/dbraw/zinc/87/28/04/949872804.db2.gz IFZMHYFUHADOJN-BTDLBPIBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001574967613 949879490 /nfs/dbraw/zinc/87/94/90/949879490.db2.gz IFZMHYFUHADOJN-DYZYQPBXSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001574967613 949879468 /nfs/dbraw/zinc/87/94/68/949879468.db2.gz IFZMHYFUHADOJN-DYZYQPBXSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574967614 949876932 /nfs/dbraw/zinc/87/69/32/949876932.db2.gz IFZMHYFUHADOJN-QGHHPUGFSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574967614 949876907 /nfs/dbraw/zinc/87/69/07/949876907.db2.gz IFZMHYFUHADOJN-QGHHPUGFSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc(=O)n(C)cn1 ZINC001574967644 949877377 /nfs/dbraw/zinc/87/73/77/949877377.db2.gz IXSNGWJBPBTQAM-SECBINFHSA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc(=O)n(C)cn1 ZINC001574967644 949877357 /nfs/dbraw/zinc/87/73/57/949877357.db2.gz IXSNGWJBPBTQAM-SECBINFHSA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cc(=O)n(C)cn1 ZINC001574967646 949876086 /nfs/dbraw/zinc/87/60/86/949876086.db2.gz IXSNGWJBPBTQAM-VIFPVBQESA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cc(=O)n(C)cn1 ZINC001574967646 949876068 /nfs/dbraw/zinc/87/60/68/949876068.db2.gz IXSNGWJBPBTQAM-VIFPVBQESA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001574967759 949874482 /nfs/dbraw/zinc/87/44/82/949874482.db2.gz JUHIUCWWGNFFNK-BDJLRTHQSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001574967759 949874450 /nfs/dbraw/zinc/87/44/50/949874450.db2.gz JUHIUCWWGNFFNK-BDJLRTHQSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001574967765 949879421 /nfs/dbraw/zinc/87/94/21/949879421.db2.gz JUHIUCWWGNFFNK-BZNIZROVSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001574967765 949879394 /nfs/dbraw/zinc/87/93/94/949879394.db2.gz JUHIUCWWGNFFNK-BZNIZROVSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001574967767 949878921 /nfs/dbraw/zinc/87/89/21/949878921.db2.gz JUHIUCWWGNFFNK-MEDUHNTESA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001574967767 949878908 /nfs/dbraw/zinc/87/89/08/949878908.db2.gz JUHIUCWWGNFFNK-MEDUHNTESA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001574967769 949875403 /nfs/dbraw/zinc/87/54/03/949875403.db2.gz JUHIUCWWGNFFNK-ZBEGNZNMSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001574967769 949875380 /nfs/dbraw/zinc/87/53/80/949875380.db2.gz JUHIUCWWGNFFNK-ZBEGNZNMSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cn1cncn1)C1CC1 ZINC001574968584 949904923 /nfs/dbraw/zinc/90/49/23/949904923.db2.gz QLBYGAHWRTVWJH-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cn1cncn1)C1CC1 ZINC001574968584 949904903 /nfs/dbraw/zinc/90/49/03/949904903.db2.gz QLBYGAHWRTVWJH-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)Cn1cncn1)C1CC1 ZINC001574968585 949903569 /nfs/dbraw/zinc/90/35/69/949903569.db2.gz QLBYGAHWRTVWJH-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)Cn1cncn1)C1CC1 ZINC001574968585 949903557 /nfs/dbraw/zinc/90/35/57/949903557.db2.gz QLBYGAHWRTVWJH-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cn(C)ccc1=O ZINC001574968659 949908309 /nfs/dbraw/zinc/90/83/09/949908309.db2.gz RGWLDNIXEWNLFJ-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cn(C)ccc1=O ZINC001574968659 949908287 /nfs/dbraw/zinc/90/82/87/949908287.db2.gz RGWLDNIXEWNLFJ-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cn(C)ccc1=O ZINC001574968660 949910101 /nfs/dbraw/zinc/91/01/01/949910101.db2.gz RGWLDNIXEWNLFJ-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cn(C)ccc1=O ZINC001574968660 949910081 /nfs/dbraw/zinc/91/00/81/949910081.db2.gz RGWLDNIXEWNLFJ-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ccc(=O)n(C)c1 ZINC001574968801 949910253 /nfs/dbraw/zinc/91/02/53/949910253.db2.gz SNYJVDXWLPRXCZ-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ccc(=O)n(C)c1 ZINC001574968801 949910241 /nfs/dbraw/zinc/91/02/41/949910241.db2.gz SNYJVDXWLPRXCZ-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1ccc(=O)n(C)c1 ZINC001574968802 949910543 /nfs/dbraw/zinc/91/05/43/949910543.db2.gz SNYJVDXWLPRXCZ-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1ccc(=O)n(C)c1 ZINC001574968802 949910524 /nfs/dbraw/zinc/91/05/24/949910524.db2.gz SNYJVDXWLPRXCZ-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cccn(C)c1=O ZINC001574968857 949912352 /nfs/dbraw/zinc/91/23/52/949912352.db2.gz UMSWFDIZKVMTNF-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cccn(C)c1=O ZINC001574968857 949912342 /nfs/dbraw/zinc/91/23/42/949912342.db2.gz UMSWFDIZKVMTNF-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)c1cccn(C)c1=O ZINC001574968858 949911540 /nfs/dbraw/zinc/91/15/40/949911540.db2.gz UMSWFDIZKVMTNF-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)c1cccn(C)c1=O ZINC001574968858 949911519 /nfs/dbraw/zinc/91/15/19/949911519.db2.gz UMSWFDIZKVMTNF-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001574968895 949917189 /nfs/dbraw/zinc/91/71/89/949917189.db2.gz VFLKNGHSPKHUOC-APPDUMDISA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001574968895 949917176 /nfs/dbraw/zinc/91/71/76/949917176.db2.gz VFLKNGHSPKHUOC-APPDUMDISA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001574968896 949917983 /nfs/dbraw/zinc/91/79/83/949917983.db2.gz VFLKNGHSPKHUOC-GTNSWQLSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001574968896 949917968 /nfs/dbraw/zinc/91/79/68/949917968.db2.gz VFLKNGHSPKHUOC-GTNSWQLSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574969003 949923934 /nfs/dbraw/zinc/92/39/34/949923934.db2.gz XQOFNHKPNWDRPT-SECBINFHSA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@H](CNC(=O)c1c2c(nn1C)CCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574969003 949923915 /nfs/dbraw/zinc/92/39/15/949923915.db2.gz XQOFNHKPNWDRPT-SECBINFHSA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574969004 949921990 /nfs/dbraw/zinc/92/19/90/949921990.db2.gz XQOFNHKPNWDRPT-VIFPVBQESA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574969004 949921967 /nfs/dbraw/zinc/92/19/67/949921967.db2.gz XQOFNHKPNWDRPT-VIFPVBQESA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574969021 949923475 /nfs/dbraw/zinc/92/34/75/949923475.db2.gz YGAUAVLNLAOEMB-GHMZBOCLSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574969021 949923461 /nfs/dbraw/zinc/92/34/61/949923461.db2.gz YGAUAVLNLAOEMB-GHMZBOCLSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574969022 949923199 /nfs/dbraw/zinc/92/31/99/949923199.db2.gz YGAUAVLNLAOEMB-MNOVXSKESA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574969022 949923185 /nfs/dbraw/zinc/92/31/85/949923185.db2.gz YGAUAVLNLAOEMB-MNOVXSKESA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574969023 949925858 /nfs/dbraw/zinc/92/58/58/949925858.db2.gz YGAUAVLNLAOEMB-QWRGUYRKSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574969023 949925841 /nfs/dbraw/zinc/92/58/41/949925841.db2.gz YGAUAVLNLAOEMB-QWRGUYRKSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574969024 949922892 /nfs/dbraw/zinc/92/28/92/949922892.db2.gz YGAUAVLNLAOEMB-WDEREUQCSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574969024 949922877 /nfs/dbraw/zinc/92/28/77/949922877.db2.gz YGAUAVLNLAOEMB-WDEREUQCSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001574969097 949929605 /nfs/dbraw/zinc/92/96/05/949929605.db2.gz ZTURGSIIYOIDNY-BMLIUANNSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001574969097 949929587 /nfs/dbraw/zinc/92/95/87/949929587.db2.gz ZTURGSIIYOIDNY-BMLIUANNSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574969098 949930362 /nfs/dbraw/zinc/93/03/62/949930362.db2.gz ZTURGSIIYOIDNY-BTDLBPIBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574969098 949930351 /nfs/dbraw/zinc/93/03/51/949930351.db2.gz ZTURGSIIYOIDNY-BTDLBPIBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001574969099 949927620 /nfs/dbraw/zinc/92/76/20/949927620.db2.gz ZTURGSIIYOIDNY-DYZYQPBXSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001574969099 949927599 /nfs/dbraw/zinc/92/75/99/949927599.db2.gz ZTURGSIIYOIDNY-DYZYQPBXSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574969100 949927355 /nfs/dbraw/zinc/92/73/55/949927355.db2.gz ZTURGSIIYOIDNY-QGHHPUGFSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574969100 949927339 /nfs/dbraw/zinc/92/73/39/949927339.db2.gz ZTURGSIIYOIDNY-QGHHPUGFSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CCN(C)S(C)(=O)=O ZINC001574972132 949933423 /nfs/dbraw/zinc/93/34/23/949933423.db2.gz AKXMJKVHJZCGFW-JTQLQIEISA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CCN(C)S(C)(=O)=O ZINC001574972133 949933336 /nfs/dbraw/zinc/93/33/36/949933336.db2.gz AKXMJKVHJZCGFW-SNVBAGLBSA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CN1CCCNC1=O ZINC001574972136 949933811 /nfs/dbraw/zinc/93/38/11/949933811.db2.gz APAQJDDYZSNNII-JTQLQIEISA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CN1CCCNC1=O ZINC001574972136 949933798 /nfs/dbraw/zinc/93/37/98/949933798.db2.gz APAQJDDYZSNNII-JTQLQIEISA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CN1CCCNC1=O ZINC001574972137 949936492 /nfs/dbraw/zinc/93/64/92/949936492.db2.gz APAQJDDYZSNNII-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CN1CCCNC1=O ZINC001574972137 949936479 /nfs/dbraw/zinc/93/64/79/949936479.db2.gz APAQJDDYZSNNII-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cnn(C)n1 ZINC001574972146 949931916 /nfs/dbraw/zinc/93/19/16/949931916.db2.gz BBMHOEQWXQBCFJ-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1cnn(C)n1 ZINC001574972146 949931896 /nfs/dbraw/zinc/93/18/96/949931896.db2.gz BBMHOEQWXQBCFJ-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCc1cnn(C)n1 ZINC001574972147 949932417 /nfs/dbraw/zinc/93/24/17/949932417.db2.gz BBMHOEQWXQBCFJ-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCc1cnn(C)n1 ZINC001574972147 949932399 /nfs/dbraw/zinc/93/23/99/949932399.db2.gz BBMHOEQWXQBCFJ-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCN1CCOCC1 ZINC001574972158 949935721 /nfs/dbraw/zinc/93/57/21/949935721.db2.gz BEWFXWPVKCNUJQ-GFCCVEGCSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCN1CCOCC1 ZINC001574972159 949932668 /nfs/dbraw/zinc/93/26/68/949932668.db2.gz BEWFXWPVKCNUJQ-LBPRGKRZSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)N1CCOCC1 ZINC001574972168 949936446 /nfs/dbraw/zinc/93/64/46/949936446.db2.gz BGODSGNBJRPNFA-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)N1CCOCC1 ZINC001574972169 949934399 /nfs/dbraw/zinc/93/43/99/949934399.db2.gz BGODSGNBJRPNFA-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CNC(=O)C1CCC1 ZINC001574972188 949933485 /nfs/dbraw/zinc/93/34/85/949933485.db2.gz BNQSTXQYUWHGKR-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CNC(=O)C1CCC1 ZINC001574972188 949933467 /nfs/dbraw/zinc/93/34/67/949933467.db2.gz BNQSTXQYUWHGKR-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CNC(=O)C1CCC1 ZINC001574972189 949933638 /nfs/dbraw/zinc/93/36/38/949933638.db2.gz BNQSTXQYUWHGKR-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CNC(=O)C1CCC1 ZINC001574972189 949933623 /nfs/dbraw/zinc/93/36/23/949933623.db2.gz BNQSTXQYUWHGKR-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)NCC(F)(F)F ZINC001574972208 949938404 /nfs/dbraw/zinc/93/84/04/949938404.db2.gz BXCQXMITBCUCGJ-MRVPVSSYSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)CC(=O)NCC(F)(F)F ZINC001574972209 949938335 /nfs/dbraw/zinc/93/83/35/949938335.db2.gz BXCQXMITBCUCGJ-QMMMGPOBSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCCn1cncn1 ZINC001574972491 949940672 /nfs/dbraw/zinc/94/06/72/949940672.db2.gz CEHCOWNUTNGELS-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCCn1cncn1 ZINC001574972491 949940657 /nfs/dbraw/zinc/94/06/57/949940657.db2.gz CEHCOWNUTNGELS-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)CCCn1cncn1 ZINC001574972493 949939201 /nfs/dbraw/zinc/93/92/01/949939201.db2.gz CEHCOWNUTNGELS-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)CCCn1cncn1 ZINC001574972493 949939181 /nfs/dbraw/zinc/93/91/81/949939181.db2.gz CEHCOWNUTNGELS-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001574972515 949942633 /nfs/dbraw/zinc/94/26/33/949942633.db2.gz CKEFNWATLFFEPB-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001574972515 949942616 /nfs/dbraw/zinc/94/26/16/949942616.db2.gz CKEFNWATLFFEPB-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001574972516 949938531 /nfs/dbraw/zinc/93/85/31/949938531.db2.gz CKEFNWATLFFEPB-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001574972516 949938506 /nfs/dbraw/zinc/93/85/06/949938506.db2.gz CKEFNWATLFFEPB-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001574972517 949941141 /nfs/dbraw/zinc/94/11/41/949941141.db2.gz CKEFNWATLFFEPB-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001574972517 949941120 /nfs/dbraw/zinc/94/11/20/949941120.db2.gz CKEFNWATLFFEPB-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001574972518 949941076 /nfs/dbraw/zinc/94/10/76/949941076.db2.gz 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C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)COC1CCOCC1 ZINC001574974219 949972293 /nfs/dbraw/zinc/97/22/93/949972293.db2.gz MKBLEBIMMZLLOC-NSHDSACASA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001574974276 949972935 /nfs/dbraw/zinc/97/29/35/949972935.db2.gz NEASCGNMJXMWQU-NXEZZACHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001574974276 949972925 /nfs/dbraw/zinc/97/29/25/949972925.db2.gz NEASCGNMJXMWQU-NXEZZACHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001574974277 949975480 /nfs/dbraw/zinc/97/54/80/949975480.db2.gz NEASCGNMJXMWQU-UWVGGRQHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001574974277 949975458 /nfs/dbraw/zinc/97/54/58/949975458.db2.gz NEASCGNMJXMWQU-UWVGGRQHSA-N -1 3 375.389 -0.275 20 0 GBADHM 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C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)COc1cnn(C)c1 ZINC001574974310 949979230 /nfs/dbraw/zinc/97/92/30/949979230.db2.gz NXQYRRAYEFPLNK-JTQLQIEISA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)COc1cnn(C)c1 ZINC001574974311 949980211 /nfs/dbraw/zinc/98/02/11/949980211.db2.gz NXQYRRAYEFPLNK-SNVBAGLBSA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)COc1cnn(C)c1 ZINC001574974311 949980187 /nfs/dbraw/zinc/98/01/87/949980187.db2.gz NXQYRRAYEFPLNK-SNVBAGLBSA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)C(=O)c1cccc(=O)n1C ZINC001574974380 949988157 /nfs/dbraw/zinc/98/81/57/949988157.db2.gz PHMHMSOQNBKLBC-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)C(=O)c1cccc(=O)n1C ZINC001574974380 949988143 /nfs/dbraw/zinc/98/81/43/949988143.db2.gz PHMHMSOQNBKLBC-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM 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C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn2ccncc12 ZINC001574977915 950128644 /nfs/dbraw/zinc/12/86/44/950128644.db2.gz OZDBNPXBYTXOMJ-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn2ccncc12 ZINC001574977915 950128626 /nfs/dbraw/zinc/12/86/26/950128626.db2.gz OZDBNPXBYTXOMJ-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc(N(C)C)nn1 ZINC001574978018 950131497 /nfs/dbraw/zinc/13/14/97/950131497.db2.gz PIYRLSVIYIOSPC-SECBINFHSA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc(N(C)C)nn1 ZINC001574978018 950131475 /nfs/dbraw/zinc/13/14/75/950131475.db2.gz PIYRLSVIYIOSPC-SECBINFHSA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1ccc(N(C)C)nn1 ZINC001574978020 950130002 /nfs/dbraw/zinc/13/00/02/950130002.db2.gz PIYRLSVIYIOSPC-VIFPVBQESA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1ccc(N(C)C)nn1 ZINC001574978020 950129991 /nfs/dbraw/zinc/12/99/91/950129991.db2.gz PIYRLSVIYIOSPC-VIFPVBQESA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574978050 950130637 /nfs/dbraw/zinc/13/06/37/950130637.db2.gz PWXRVXRACQGDJP-JIMOISOXSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574978050 950130625 /nfs/dbraw/zinc/13/06/25/950130625.db2.gz PWXRVXRACQGDJP-JIMOISOXSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574978051 950128512 /nfs/dbraw/zinc/12/85/12/950128512.db2.gz PWXRVXRACQGDJP-TVYUQYBPSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574978051 950128498 /nfs/dbraw/zinc/12/84/98/950128498.db2.gz PWXRVXRACQGDJP-TVYUQYBPSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574978052 950129393 /nfs/dbraw/zinc/12/93/93/950129393.db2.gz PYMDXHWOTREBAL-MVWJERBFSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001574978054 950130747 /nfs/dbraw/zinc/13/07/47/950130747.db2.gz PYMDXHWOTREBAL-YUSALJHKSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1cc(Cl)cn1 ZINC001574978147 950135475 /nfs/dbraw/zinc/13/54/75/950135475.db2.gz RGRVLSOBSOTQOY-MRVPVSSYSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cn1cc(Cl)cn1 ZINC001574978147 950135460 /nfs/dbraw/zinc/13/54/60/950135460.db2.gz RGRVLSOBSOTQOY-MRVPVSSYSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)Cn1cc(Cl)cn1 ZINC001574978149 950133117 /nfs/dbraw/zinc/13/31/17/950133117.db2.gz RGRVLSOBSOTQOY-QMMMGPOBSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)Cn1cc(Cl)cn1 ZINC001574978149 950133104 /nfs/dbraw/zinc/13/31/04/950133104.db2.gz RGRVLSOBSOTQOY-QMMMGPOBSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(CC2CC2)nn1 ZINC001574978326 950134206 /nfs/dbraw/zinc/13/42/06/950134206.db2.gz RHPALGKAORCOTI-SECBINFHSA-N -1 3 384.404 -0.255 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(CC2CC2)nn1 ZINC001574978326 950134191 /nfs/dbraw/zinc/13/41/91/950134191.db2.gz RHPALGKAORCOTI-SECBINFHSA-N -1 3 384.404 -0.255 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cn(CC2CC2)nn1 ZINC001574978327 950135638 /nfs/dbraw/zinc/13/56/38/950135638.db2.gz RHPALGKAORCOTI-VIFPVBQESA-N -1 3 384.404 -0.255 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cn(CC2CC2)nn1 ZINC001574978327 950135620 /nfs/dbraw/zinc/13/56/20/950135620.db2.gz RHPALGKAORCOTI-VIFPVBQESA-N -1 3 384.404 -0.255 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc2n1CCOC2 ZINC001574978380 950139414 /nfs/dbraw/zinc/13/94/14/950139414.db2.gz SKASPOBDIPPADL-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc2n1CCOC2 ZINC001574978380 950139398 /nfs/dbraw/zinc/13/93/98/950139398.db2.gz SKASPOBDIPPADL-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc2n1CCOC2 ZINC001574978381 950138371 /nfs/dbraw/zinc/13/83/71/950138371.db2.gz SKASPOBDIPPADL-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc2n1CCOC2 ZINC001574978381 950138354 /nfs/dbraw/zinc/13/83/54/950138354.db2.gz SKASPOBDIPPADL-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574978640 950144112 /nfs/dbraw/zinc/14/41/12/950144112.db2.gz UBGFVHMEAIKQNU-MFKMUULPSA-N -1 3 388.432 -0.171 20 0 GBADHM CC(C)N1C(=O)CC[C@H]1C(=O)N[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574978640 950144085 /nfs/dbraw/zinc/14/40/85/950144085.db2.gz UBGFVHMEAIKQNU-MFKMUULPSA-N -1 3 388.432 -0.171 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1noc2c1COCC2 ZINC001574979069 950148298 /nfs/dbraw/zinc/14/82/98/950148298.db2.gz VTIRYJAHBSATTJ-MRVPVSSYSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1noc2c1COCC2 ZINC001574979069 950148284 /nfs/dbraw/zinc/14/82/84/950148284.db2.gz VTIRYJAHBSATTJ-MRVPVSSYSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1noc2c1COCC2 ZINC001574979072 950145742 /nfs/dbraw/zinc/14/57/42/950145742.db2.gz VTIRYJAHBSATTJ-QMMMGPOBSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1noc2c1COCC2 ZINC001574979072 950145727 /nfs/dbraw/zinc/14/57/27/950145727.db2.gz VTIRYJAHBSATTJ-QMMMGPOBSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(CCF)c1 ZINC001574979194 950152485 /nfs/dbraw/zinc/15/24/85/950152485.db2.gz XHDPBVLOIMVQEU-SECBINFHSA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(CCF)c1 ZINC001574979194 950152473 /nfs/dbraw/zinc/15/24/73/950152473.db2.gz XHDPBVLOIMVQEU-SECBINFHSA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnn(CCF)c1 ZINC001574979195 950150627 /nfs/dbraw/zinc/15/06/27/950150627.db2.gz XHDPBVLOIMVQEU-VIFPVBQESA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnn(CCF)c1 ZINC001574979195 950150614 /nfs/dbraw/zinc/15/06/14/950150614.db2.gz XHDPBVLOIMVQEU-VIFPVBQESA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc2nccn2c1 ZINC001574979453 950156273 /nfs/dbraw/zinc/15/62/73/950156273.db2.gz ZFTPJJKBRBUNOK-SECBINFHSA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc2nccn2c1 ZINC001574979453 950156261 /nfs/dbraw/zinc/15/62/61/950156261.db2.gz ZFTPJJKBRBUNOK-SECBINFHSA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cnc2nccn2c1 ZINC001574979456 950156627 /nfs/dbraw/zinc/15/66/27/950156627.db2.gz ZFTPJJKBRBUNOK-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cnc2nccn2c1 ZINC001574979456 950156617 /nfs/dbraw/zinc/15/66/17/950156617.db2.gz ZFTPJJKBRBUNOK-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574979489 950156049 /nfs/dbraw/zinc/15/60/49/950156049.db2.gz ZSITUJNLHNZJTH-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574979489 950156030 /nfs/dbraw/zinc/15/60/30/950156030.db2.gz ZSITUJNLHNZJTH-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574979490 950154600 /nfs/dbraw/zinc/15/46/00/950154600.db2.gz ZSITUJNLHNZJTH-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574979490 950154592 /nfs/dbraw/zinc/15/45/92/950154592.db2.gz ZSITUJNLHNZJTH-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001574982376 950162784 /nfs/dbraw/zinc/16/27/84/950162784.db2.gz BYHNYILJOJGENQ-GHMZBOCLSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001574982376 950162775 /nfs/dbraw/zinc/16/27/75/950162775.db2.gz BYHNYILJOJGENQ-GHMZBOCLSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574982378 950162841 /nfs/dbraw/zinc/16/28/41/950162841.db2.gz BYHNYILJOJGENQ-MNOVXSKESA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574982378 950162831 /nfs/dbraw/zinc/16/28/31/950162831.db2.gz BYHNYILJOJGENQ-MNOVXSKESA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574982380 950164968 /nfs/dbraw/zinc/16/49/68/950164968.db2.gz BYHNYILJOJGENQ-QWRGUYRKSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1CCNC(=O)CC1 ZINC001574982380 950164959 /nfs/dbraw/zinc/16/49/59/950164959.db2.gz BYHNYILJOJGENQ-QWRGUYRKSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001574982382 950162212 /nfs/dbraw/zinc/16/22/12/950162212.db2.gz BYHNYILJOJGENQ-WDEREUQCSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CCNC(=O)CC1 ZINC001574982382 950162197 /nfs/dbraw/zinc/16/21/97/950162197.db2.gz BYHNYILJOJGENQ-WDEREUQCSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001574982435 950167083 /nfs/dbraw/zinc/16/70/83/950167083.db2.gz CKKQCIKKVWJXBX-BDAKNGLRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001574982435 950167075 /nfs/dbraw/zinc/16/70/75/950167075.db2.gz CKKQCIKKVWJXBX-BDAKNGLRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001574982436 950168245 /nfs/dbraw/zinc/16/82/45/950168245.db2.gz CKKQCIKKVWJXBX-DTWKUNHWSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001574982436 950168225 /nfs/dbraw/zinc/16/82/25/950168225.db2.gz CKKQCIKKVWJXBX-DTWKUNHWSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001574982437 950169117 /nfs/dbraw/zinc/16/91/17/950169117.db2.gz CKKQCIKKVWJXBX-IUCAKERBSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001574982437 950169102 /nfs/dbraw/zinc/16/91/02/950169102.db2.gz CKKQCIKKVWJXBX-IUCAKERBSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)S(C)(=O)=O ZINC001574982438 950167426 /nfs/dbraw/zinc/16/74/26/950167426.db2.gz CKKQCIKKVWJXBX-RKDXNWHRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](C(=O)NC[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)S(C)(=O)=O ZINC001574982438 950167414 /nfs/dbraw/zinc/16/74/14/950167414.db2.gz CKKQCIKKVWJXBX-RKDXNWHRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNc1ncnc2c1nnn2C ZINC001574982481 950167008 /nfs/dbraw/zinc/16/70/08/950167008.db2.gz DEHBXUXNEBKSME-MRVPVSSYSA-N -1 3 382.392 -0.256 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNc1ncnc2c1nnn2C ZINC001574982481 950166998 /nfs/dbraw/zinc/16/69/98/950166998.db2.gz DEHBXUXNEBKSME-MRVPVSSYSA-N -1 3 382.392 -0.256 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNc1ncnc2c1nnn2C ZINC001574982482 950167710 /nfs/dbraw/zinc/16/77/10/950167710.db2.gz DEHBXUXNEBKSME-QMMMGPOBSA-N -1 3 382.392 -0.256 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNc1ncnc2c1nnn2C ZINC001574982482 950167697 /nfs/dbraw/zinc/16/76/97/950167697.db2.gz DEHBXUXNEBKSME-QMMMGPOBSA-N -1 3 382.392 -0.256 20 0 GBADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001574982643 950174902 /nfs/dbraw/zinc/17/49/02/950174902.db2.gz FFBRYMUCDSNBEX-APPDUMDISA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001574982643 950174885 /nfs/dbraw/zinc/17/48/85/950174885.db2.gz FFBRYMUCDSNBEX-APPDUMDISA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001574982644 950174846 /nfs/dbraw/zinc/17/48/46/950174846.db2.gz FFBRYMUCDSNBEX-DIFFPNOSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001574982644 950174831 /nfs/dbraw/zinc/17/48/31/950174831.db2.gz FFBRYMUCDSNBEX-DIFFPNOSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001574982645 950176252 /nfs/dbraw/zinc/17/62/52/950176252.db2.gz FFBRYMUCDSNBEX-GTNSWQLSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001574982645 950176245 /nfs/dbraw/zinc/17/62/45/950176245.db2.gz FFBRYMUCDSNBEX-GTNSWQLSSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001574982646 950175801 /nfs/dbraw/zinc/17/58/01/950175801.db2.gz FFBRYMUCDSNBEX-PIGZYNQJSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001574982646 950175788 /nfs/dbraw/zinc/17/57/88/950175788.db2.gz FFBRYMUCDSNBEX-PIGZYNQJSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cccn(C)c1=O ZINC001574982895 950189266 /nfs/dbraw/zinc/18/92/66/950189266.db2.gz HVOYHHWDTDWDMI-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cccn(C)c1=O ZINC001574982895 950189251 /nfs/dbraw/zinc/18/92/51/950189251.db2.gz HVOYHHWDTDWDMI-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cccn(C)c1=O ZINC001574982896 950186562 /nfs/dbraw/zinc/18/65/62/950186562.db2.gz HVOYHHWDTDWDMI-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cccn(C)c1=O ZINC001574982896 950186551 /nfs/dbraw/zinc/18/65/51/950186551.db2.gz HVOYHHWDTDWDMI-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1OCCO[C@H]1C ZINC001574983139 950199690 /nfs/dbraw/zinc/19/96/90/950199690.db2.gz KLDDFVHSRZNPRA-KWBADKCTSA-N -1 3 377.405 -0.519 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1OCCO[C@H]1C ZINC001574983139 950199682 /nfs/dbraw/zinc/19/96/82/950199682.db2.gz KLDDFVHSRZNPRA-KWBADKCTSA-N -1 3 377.405 -0.519 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1OCCO[C@H]1C ZINC001574983140 950202398 /nfs/dbraw/zinc/20/23/98/950202398.db2.gz KLDDFVHSRZNPRA-NRUUGDAUSA-N -1 3 377.405 -0.519 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1OCCO[C@H]1C ZINC001574983140 950202380 /nfs/dbraw/zinc/20/23/80/950202380.db2.gz KLDDFVHSRZNPRA-NRUUGDAUSA-N -1 3 377.405 -0.519 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cn(C)ccc1=O ZINC001574983143 950201094 /nfs/dbraw/zinc/20/10/94/950201094.db2.gz KPFKUTUETCBAMG-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cn(C)ccc1=O ZINC001574983143 950201075 /nfs/dbraw/zinc/20/10/75/950201075.db2.gz KPFKUTUETCBAMG-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cn(C)ccc1=O ZINC001574983144 950201854 /nfs/dbraw/zinc/20/18/54/950201854.db2.gz KPFKUTUETCBAMG-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cn(C)ccc1=O ZINC001574983144 950201840 /nfs/dbraw/zinc/20/18/40/950201840.db2.gz KPFKUTUETCBAMG-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C(=O)NCC(F)F ZINC001574983163 950205354 /nfs/dbraw/zinc/20/53/54/950205354.db2.gz LLRDOBXPICFIEH-SSDOTTSWSA-N -1 3 384.347 -0.847 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C(=O)NCC(F)F ZINC001574983163 950205334 /nfs/dbraw/zinc/20/53/34/950205334.db2.gz LLRDOBXPICFIEH-SSDOTTSWSA-N -1 3 384.347 -0.847 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C(=O)NCC(F)F ZINC001574983164 950206809 /nfs/dbraw/zinc/20/68/09/950206809.db2.gz LLRDOBXPICFIEH-ZETCQYMHSA-N -1 3 384.347 -0.847 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C(=O)NCC(F)F ZINC001574983164 950206793 /nfs/dbraw/zinc/20/67/93/950206793.db2.gz LLRDOBXPICFIEH-ZETCQYMHSA-N -1 3 384.347 -0.847 20 0 GBADHM C[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1ncnn1CC(F)F ZINC001574983281 950209030 /nfs/dbraw/zinc/20/90/30/950209030.db2.gz MBJHPOQZBYXFJJ-MRVPVSSYSA-N -1 3 380.363 -0.041 20 0 GBADHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCc1ncnn1CC(F)F ZINC001574983282 950209863 /nfs/dbraw/zinc/20/98/63/950209863.db2.gz MBJHPOQZBYXFJJ-QMMMGPOBSA-N -1 3 380.363 -0.041 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cccc(=O)n1C ZINC001574983571 950228788 /nfs/dbraw/zinc/22/87/88/950228788.db2.gz PPUYESKQAFQTSB-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cccc(=O)n1C ZINC001574983571 950228764 /nfs/dbraw/zinc/22/87/64/950228764.db2.gz PPUYESKQAFQTSB-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1cccc(=O)n1C ZINC001574983572 950229127 /nfs/dbraw/zinc/22/91/27/950229127.db2.gz PPUYESKQAFQTSB-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1cccc(=O)n1C ZINC001574983572 950229108 /nfs/dbraw/zinc/22/91/08/950229108.db2.gz PPUYESKQAFQTSB-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001574983668 950234816 /nfs/dbraw/zinc/23/48/16/950234816.db2.gz RFSKLXMOJAZZLN-BMLIUANNSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001574983668 950234803 /nfs/dbraw/zinc/23/48/03/950234803.db2.gz RFSKLXMOJAZZLN-BMLIUANNSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574983670 950232673 /nfs/dbraw/zinc/23/26/73/950232673.db2.gz RFSKLXMOJAZZLN-BTDLBPIBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574983670 950232656 /nfs/dbraw/zinc/23/26/56/950232656.db2.gz RFSKLXMOJAZZLN-BTDLBPIBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001574983672 950233655 /nfs/dbraw/zinc/23/36/55/950233655.db2.gz RFSKLXMOJAZZLN-DYZYQPBXSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001574983672 950233632 /nfs/dbraw/zinc/23/36/32/950233632.db2.gz RFSKLXMOJAZZLN-DYZYQPBXSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574983674 950231026 /nfs/dbraw/zinc/23/10/26/950231026.db2.gz RFSKLXMOJAZZLN-QGHHPUGFSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574983674 950231009 /nfs/dbraw/zinc/23/10/09/950231009.db2.gz RFSKLXMOJAZZLN-QGHHPUGFSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001574983749 950238277 /nfs/dbraw/zinc/23/82/77/950238277.db2.gz RZWRVWPYMGJTBC-GWCFXTLKSA-N -1 3 376.421 -0.993 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001574983749 950238248 /nfs/dbraw/zinc/23/82/48/950238248.db2.gz RZWRVWPYMGJTBC-GWCFXTLKSA-N -1 3 376.421 -0.993 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CN(C)CCO1 ZINC001574983751 950239660 /nfs/dbraw/zinc/23/96/60/950239660.db2.gz RZWRVWPYMGJTBC-GXFFZTMASA-N -1 3 376.421 -0.993 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CN(C)CCO1 ZINC001574983751 950239649 /nfs/dbraw/zinc/23/96/49/950239649.db2.gz RZWRVWPYMGJTBC-GXFFZTMASA-N -1 3 376.421 -0.993 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001574983753 950236999 /nfs/dbraw/zinc/23/69/99/950236999.db2.gz RZWRVWPYMGJTBC-MFKMUULPSA-N -1 3 376.421 -0.993 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001574983753 950236979 /nfs/dbraw/zinc/23/69/79/950236979.db2.gz RZWRVWPYMGJTBC-MFKMUULPSA-N -1 3 376.421 -0.993 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@H]1CN(C)CCO1 ZINC001574983755 950239070 /nfs/dbraw/zinc/23/90/70/950239070.db2.gz RZWRVWPYMGJTBC-ZWNOBZJWSA-N -1 3 376.421 -0.993 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@H]1CN(C)CCO1 ZINC001574983755 950239053 /nfs/dbraw/zinc/23/90/53/950239053.db2.gz RZWRVWPYMGJTBC-ZWNOBZJWSA-N -1 3 376.421 -0.993 20 0 GBADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001574983879 950246403 /nfs/dbraw/zinc/24/64/03/950246403.db2.gz UJXQTTXPWBCWLO-BDJLRTHQSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001574983879 950246384 /nfs/dbraw/zinc/24/63/84/950246384.db2.gz UJXQTTXPWBCWLO-BDJLRTHQSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001574983880 950246544 /nfs/dbraw/zinc/24/65/44/950246544.db2.gz UJXQTTXPWBCWLO-BZNIZROVSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001574983880 950246530 /nfs/dbraw/zinc/24/65/30/950246530.db2.gz UJXQTTXPWBCWLO-BZNIZROVSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001574983881 950249225 /nfs/dbraw/zinc/24/92/25/950249225.db2.gz UJXQTTXPWBCWLO-MEDUHNTESA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001574983881 950249211 /nfs/dbraw/zinc/24/92/11/950249211.db2.gz UJXQTTXPWBCWLO-MEDUHNTESA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001574983882 950245404 /nfs/dbraw/zinc/24/54/04/950245404.db2.gz UJXQTTXPWBCWLO-ZBEGNZNMSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001574983882 950245386 /nfs/dbraw/zinc/24/53/86/950245386.db2.gz UJXQTTXPWBCWLO-ZBEGNZNMSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001574984047 950256257 /nfs/dbraw/zinc/25/62/57/950256257.db2.gz VSMWPTHVEUXNER-BMLIUANNSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001574984047 950256240 /nfs/dbraw/zinc/25/62/40/950256240.db2.gz VSMWPTHVEUXNER-BMLIUANNSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574984048 950256424 /nfs/dbraw/zinc/25/64/24/950256424.db2.gz VSMWPTHVEUXNER-BTDLBPIBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574984048 950256414 /nfs/dbraw/zinc/25/64/14/950256414.db2.gz VSMWPTHVEUXNER-BTDLBPIBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001574984049 950258681 /nfs/dbraw/zinc/25/86/81/950258681.db2.gz VSMWPTHVEUXNER-DYZYQPBXSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001574984049 950258661 /nfs/dbraw/zinc/25/86/61/950258661.db2.gz VSMWPTHVEUXNER-DYZYQPBXSA-N -1 3 388.432 -0.407 20 0 GBADHM 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C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1cncc(C(=O)N(C)C)n1 ZINC001574984500 950277360 /nfs/dbraw/zinc/27/73/60/950277360.db2.gz YIVMQPCFHIWLAL-VIFPVBQESA-N -1 3 384.404 -0.083 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001574987245 950285547 /nfs/dbraw/zinc/28/55/47/950285547.db2.gz BBPSZOCEGVVZTJ-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001574987245 950285528 /nfs/dbraw/zinc/28/55/28/950285528.db2.gz BBPSZOCEGVVZTJ-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574987246 950287413 /nfs/dbraw/zinc/28/74/13/950287413.db2.gz BBPSZOCEGVVZTJ-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574987246 950287397 /nfs/dbraw/zinc/28/73/97/950287397.db2.gz BBPSZOCEGVVZTJ-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001574987247 950288683 /nfs/dbraw/zinc/28/86/83/950288683.db2.gz BBPSZOCEGVVZTJ-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001574987247 950288669 /nfs/dbraw/zinc/28/86/69/950288669.db2.gz BBPSZOCEGVVZTJ-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574987248 950284133 /nfs/dbraw/zinc/28/41/33/950284133.db2.gz BBPSZOCEGVVZTJ-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001574987248 950284104 /nfs/dbraw/zinc/28/41/04/950284104.db2.gz BBPSZOCEGVVZTJ-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCN1CCOCC1 ZINC001574987403 950288747 /nfs/dbraw/zinc/28/87/47/950288747.db2.gz CGCVWWQOLPNSRJ-GFCCVEGCSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCN1CCOCC1 ZINC001574987403 950288731 /nfs/dbraw/zinc/28/87/31/950288731.db2.gz CGCVWWQOLPNSRJ-GFCCVEGCSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCN1CCOCC1 ZINC001574987404 950288809 /nfs/dbraw/zinc/28/88/09/950288809.db2.gz CGCVWWQOLPNSRJ-LBPRGKRZSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCN1CCOCC1 ZINC001574987404 950288796 /nfs/dbraw/zinc/28/87/96/950288796.db2.gz CGCVWWQOLPNSRJ-LBPRGKRZSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001574987417 950292040 /nfs/dbraw/zinc/29/20/40/950292040.db2.gz CMPIYAZIHMNLDD-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001574987417 950292023 /nfs/dbraw/zinc/29/20/23/950292023.db2.gz CMPIYAZIHMNLDD-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001574987418 950292269 /nfs/dbraw/zinc/29/22/69/950292269.db2.gz CMPIYAZIHMNLDD-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001574987418 950292251 /nfs/dbraw/zinc/29/22/51/950292251.db2.gz CMPIYAZIHMNLDD-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001574987429 950290707 /nfs/dbraw/zinc/29/07/07/950290707.db2.gz DATLYBIXODHICG-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001574987429 950290685 /nfs/dbraw/zinc/29/06/85/950290685.db2.gz DATLYBIXODHICG-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574987430 950290559 /nfs/dbraw/zinc/29/05/59/950290559.db2.gz DATLYBIXODHICG-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574987430 950290546 /nfs/dbraw/zinc/29/05/46/950290546.db2.gz DATLYBIXODHICG-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001574987431 950290940 /nfs/dbraw/zinc/29/09/40/950290940.db2.gz DATLYBIXODHICG-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001574987431 950290921 /nfs/dbraw/zinc/29/09/21/950290921.db2.gz DATLYBIXODHICG-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574987432 950291276 /nfs/dbraw/zinc/29/12/76/950291276.db2.gz DATLYBIXODHICG-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001574987432 950291260 /nfs/dbraw/zinc/29/12/60/950291260.db2.gz DATLYBIXODHICG-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCCn1cncn1 ZINC001574987437 950292100 /nfs/dbraw/zinc/29/21/00/950292100.db2.gz DDYPTLHYKFKNEK-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCCn1cncn1 ZINC001574987437 950292083 /nfs/dbraw/zinc/29/20/83/950292083.db2.gz DDYPTLHYKFKNEK-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCCn1cncn1 ZINC001574987438 950290882 /nfs/dbraw/zinc/29/08/82/950290882.db2.gz DDYPTLHYKFKNEK-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCCn1cncn1 ZINC001574987438 950290867 /nfs/dbraw/zinc/29/08/67/950290867.db2.gz DDYPTLHYKFKNEK-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCS(C)(=O)=O ZINC001574987463 950292942 /nfs/dbraw/zinc/29/29/42/950292942.db2.gz DSWZMOABUUITCX-SECBINFHSA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCS(C)(=O)=O ZINC001574987463 950292929 /nfs/dbraw/zinc/29/29/29/950292929.db2.gz DSWZMOABUUITCX-SECBINFHSA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCS(C)(=O)=O ZINC001574987464 950291565 /nfs/dbraw/zinc/29/15/65/950291565.db2.gz DSWZMOABUUITCX-VIFPVBQESA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCS(C)(=O)=O ZINC001574987464 950291543 /nfs/dbraw/zinc/29/15/43/950291543.db2.gz DSWZMOABUUITCX-VIFPVBQESA-N -1 3 383.434 -0.794 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001574987667 950304647 /nfs/dbraw/zinc/30/46/47/950304647.db2.gz HAUFEMVJSDPQTQ-SECBINFHSA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001574987667 950304621 /nfs/dbraw/zinc/30/46/21/950304621.db2.gz HAUFEMVJSDPQTQ-SECBINFHSA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001574987668 950302146 /nfs/dbraw/zinc/30/21/46/950302146.db2.gz HAUFEMVJSDPQTQ-VIFPVBQESA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001574987668 950302124 /nfs/dbraw/zinc/30/21/24/950302124.db2.gz HAUFEMVJSDPQTQ-VIFPVBQESA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001574987790 950300785 /nfs/dbraw/zinc/30/07/85/950300785.db2.gz HIXPVPPFXGRGIP-AAEUAGOBSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001574987790 950300763 /nfs/dbraw/zinc/30/07/63/950300763.db2.gz HIXPVPPFXGRGIP-AAEUAGOBSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001574987791 950302458 /nfs/dbraw/zinc/30/24/58/950302458.db2.gz HIXPVPPFXGRGIP-DGCLKSJQSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001574987791 950302431 /nfs/dbraw/zinc/30/24/31/950302431.db2.gz HIXPVPPFXGRGIP-DGCLKSJQSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001574987792 950304106 /nfs/dbraw/zinc/30/41/06/950304106.db2.gz HIXPVPPFXGRGIP-WCQYABFASA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001574987792 950304085 /nfs/dbraw/zinc/30/40/85/950304085.db2.gz HIXPVPPFXGRGIP-WCQYABFASA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001574987793 950305701 /nfs/dbraw/zinc/30/57/01/950305701.db2.gz HIXPVPPFXGRGIP-YPMHNXCESA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001574987793 950305674 /nfs/dbraw/zinc/30/56/74/950305674.db2.gz HIXPVPPFXGRGIP-YPMHNXCESA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NC(=O)NC1CC1 ZINC001574987796 950304743 /nfs/dbraw/zinc/30/47/43/950304743.db2.gz HKEPHKWSGGROHR-SECBINFHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NC(=O)NC1CC1 ZINC001574987796 950304714 /nfs/dbraw/zinc/30/47/14/950304714.db2.gz HKEPHKWSGGROHR-SECBINFHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NC(=O)NC1CC1 ZINC001574987797 950303110 /nfs/dbraw/zinc/30/31/10/950303110.db2.gz HKEPHKWSGGROHR-VIFPVBQESA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NC(=O)NC1CC1 ZINC001574987797 950303089 /nfs/dbraw/zinc/30/30/89/950303089.db2.gz HKEPHKWSGGROHR-VIFPVBQESA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001574987826 950301135 /nfs/dbraw/zinc/30/11/35/950301135.db2.gz IAWZJFDYFKLUIO-GWCFXTLKSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001574987826 950301115 /nfs/dbraw/zinc/30/11/15/950301115.db2.gz IAWZJFDYFKLUIO-GWCFXTLKSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001574987827 950301037 /nfs/dbraw/zinc/30/10/37/950301037.db2.gz IAWZJFDYFKLUIO-GXFFZTMASA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001574987827 950301016 /nfs/dbraw/zinc/30/10/16/950301016.db2.gz IAWZJFDYFKLUIO-GXFFZTMASA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001574987828 950304907 /nfs/dbraw/zinc/30/49/07/950304907.db2.gz IAWZJFDYFKLUIO-MFKMUULPSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001574987828 950304882 /nfs/dbraw/zinc/30/48/82/950304882.db2.gz IAWZJFDYFKLUIO-MFKMUULPSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001574987829 950305011 /nfs/dbraw/zinc/30/50/11/950305011.db2.gz IAWZJFDYFKLUIO-ZWNOBZJWSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CN(C)CCO1 ZINC001574987829 950304986 /nfs/dbraw/zinc/30/49/86/950304986.db2.gz IAWZJFDYFKLUIO-ZWNOBZJWSA-N -1 3 376.421 -0.898 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574987836 950300599 /nfs/dbraw/zinc/30/05/99/950300599.db2.gz IFTNZTHWGPFMNF-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574987836 950300578 /nfs/dbraw/zinc/30/05/78/950300578.db2.gz IFTNZTHWGPFMNF-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574987837 950305079 /nfs/dbraw/zinc/30/50/79/950305079.db2.gz IFTNZTHWGPFMNF-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001574987837 950305056 /nfs/dbraw/zinc/30/50/56/950305056.db2.gz IFTNZTHWGPFMNF-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NC1CCOCC1 ZINC001574987838 950304424 /nfs/dbraw/zinc/30/44/24/950304424.db2.gz IHQVNHBWIBLNIL-LLVKDONJSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NC1CCOCC1 ZINC001574987838 950304400 /nfs/dbraw/zinc/30/44/00/950304400.db2.gz IHQVNHBWIBLNIL-LLVKDONJSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NC1CCOCC1 ZINC001574987839 950303393 /nfs/dbraw/zinc/30/33/93/950303393.db2.gz IHQVNHBWIBLNIL-NSHDSACASA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NC1CCOCC1 ZINC001574987839 950303371 /nfs/dbraw/zinc/30/33/71/950303371.db2.gz IHQVNHBWIBLNIL-NSHDSACASA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CN1CCCNC1=O ZINC001574987840 950303460 /nfs/dbraw/zinc/30/34/60/950303460.db2.gz IILQCNFARMBHTO-JTQLQIEISA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CN1CCCNC1=O ZINC001574987840 950303438 /nfs/dbraw/zinc/30/34/38/950303438.db2.gz IILQCNFARMBHTO-JTQLQIEISA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CN1CCCNC1=O ZINC001574987841 950303656 /nfs/dbraw/zinc/30/36/56/950303656.db2.gz IILQCNFARMBHTO-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CN1CCCNC1=O ZINC001574987841 950303634 /nfs/dbraw/zinc/30/36/34/950303634.db2.gz IILQCNFARMBHTO-SNVBAGLBSA-N -1 3 389.420 -0.813 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001574987844 950300535 /nfs/dbraw/zinc/30/05/35/950300535.db2.gz ILVGOFNZNUJORN-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001574987844 950300517 /nfs/dbraw/zinc/30/05/17/950300517.db2.gz ILVGOFNZNUJORN-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001574987845 950303513 /nfs/dbraw/zinc/30/35/13/950303513.db2.gz ILVGOFNZNUJORN-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001574987845 950303499 /nfs/dbraw/zinc/30/34/99/950303499.db2.gz ILVGOFNZNUJORN-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001574987953 950311064 /nfs/dbraw/zinc/31/10/64/950311064.db2.gz JSCNLCFNANFBMU-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001574987953 950311045 /nfs/dbraw/zinc/31/10/45/950311045.db2.gz JSCNLCFNANFBMU-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001574987955 950310176 /nfs/dbraw/zinc/31/01/76/950310176.db2.gz JSCNLCFNANFBMU-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001574987955 950310154 /nfs/dbraw/zinc/31/01/54/950310154.db2.gz JSCNLCFNANFBMU-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC1OCCCO1 ZINC001574987970 950309936 /nfs/dbraw/zinc/30/99/36/950309936.db2.gz KAJDQSVTBWDDPT-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC1OCCCO1 ZINC001574987970 950309918 /nfs/dbraw/zinc/30/99/18/950309918.db2.gz KAJDQSVTBWDDPT-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CC1OCCCO1 ZINC001574987972 950310111 /nfs/dbraw/zinc/31/01/11/950310111.db2.gz KAJDQSVTBWDDPT-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CC1OCCCO1 ZINC001574987972 950310094 /nfs/dbraw/zinc/31/00/94/950310094.db2.gz KAJDQSVTBWDDPT-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001574988030 950312637 /nfs/dbraw/zinc/31/26/37/950312637.db2.gz LDHNRGLNVCEJJU-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001574988030 950312616 /nfs/dbraw/zinc/31/26/16/950312616.db2.gz LDHNRGLNVCEJJU-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001574988031 950317091 /nfs/dbraw/zinc/31/70/91/950317091.db2.gz LDHNRGLNVCEJJU-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001574988031 950317068 /nfs/dbraw/zinc/31/70/68/950317068.db2.gz LDHNRGLNVCEJJU-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H]1CCC(=O)N1C ZINC001574988040 950316895 /nfs/dbraw/zinc/31/68/95/950316895.db2.gz LGHPNXDPSHNXHD-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H]1CCC(=O)N1C ZINC001574988040 950316877 /nfs/dbraw/zinc/31/68/77/950316877.db2.gz LGHPNXDPSHNXHD-CMPLNLGQSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)N1C ZINC001574988041 950317021 /nfs/dbraw/zinc/31/70/21/950317021.db2.gz LGHPNXDPSHNXHD-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)N1C ZINC001574988041 950317001 /nfs/dbraw/zinc/31/70/01/950317001.db2.gz LGHPNXDPSHNXHD-JQWIXIFHSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)N1C ZINC001574988042 950315716 /nfs/dbraw/zinc/31/57/16/950315716.db2.gz LGHPNXDPSHNXHD-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)N1C ZINC001574988042 950315693 /nfs/dbraw/zinc/31/56/93/950315693.db2.gz LGHPNXDPSHNXHD-PWSUYJOCSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H]1CCC(=O)N1C ZINC001574988043 950312521 /nfs/dbraw/zinc/31/25/21/950312521.db2.gz LGHPNXDPSHNXHD-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H]1CCC(=O)N1C ZINC001574988043 950312504 /nfs/dbraw/zinc/31/25/04/950312504.db2.gz LGHPNXDPSHNXHD-ZYHUDNBSSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COc1cnn(C)c1 ZINC001574988054 950312157 /nfs/dbraw/zinc/31/21/57/950312157.db2.gz LPBMJNZVOASYTH-JTQLQIEISA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COc1cnn(C)c1 ZINC001574988054 950312136 /nfs/dbraw/zinc/31/21/36/950312136.db2.gz LPBMJNZVOASYTH-JTQLQIEISA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COc1cnn(C)c1 ZINC001574988055 950311773 /nfs/dbraw/zinc/31/17/73/950311773.db2.gz LPBMJNZVOASYTH-SNVBAGLBSA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COc1cnn(C)c1 ZINC001574988055 950311751 /nfs/dbraw/zinc/31/17/51/950311751.db2.gz LPBMJNZVOASYTH-SNVBAGLBSA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)Nc1nncs1 ZINC001574988068 950315152 /nfs/dbraw/zinc/31/51/52/950315152.db2.gz LTBDJDHDULHLMS-MRVPVSSYSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)Nc1nncs1 ZINC001574988068 950315132 /nfs/dbraw/zinc/31/51/32/950315132.db2.gz LTBDJDHDULHLMS-MRVPVSSYSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)Nc1nncs1 ZINC001574988069 950315594 /nfs/dbraw/zinc/31/55/94/950315594.db2.gz LTBDJDHDULHLMS-QMMMGPOBSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)Nc1nncs1 ZINC001574988069 950315583 /nfs/dbraw/zinc/31/55/83/950315583.db2.gz LTBDJDHDULHLMS-QMMMGPOBSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NC[C@@H]1CCOC1 ZINC001574988076 950314282 /nfs/dbraw/zinc/31/42/82/950314282.db2.gz LUYMEHFIUGQVRA-NEPJUHHUSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NC[C@@H]1CCOC1 ZINC001574988076 950314261 /nfs/dbraw/zinc/31/42/61/950314261.db2.gz LUYMEHFIUGQVRA-NEPJUHHUSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NC[C@H]1CCOC1 ZINC001574988077 950316132 /nfs/dbraw/zinc/31/61/32/950316132.db2.gz LUYMEHFIUGQVRA-NWDGAFQWSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NC[C@H]1CCOC1 ZINC001574988077 950316105 /nfs/dbraw/zinc/31/61/05/950316105.db2.gz LUYMEHFIUGQVRA-NWDGAFQWSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NC[C@@H]1CCOC1 ZINC001574988078 950315057 /nfs/dbraw/zinc/31/50/57/950315057.db2.gz LUYMEHFIUGQVRA-RYUDHWBXSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NC[C@@H]1CCOC1 ZINC001574988078 950315040 /nfs/dbraw/zinc/31/50/40/950315040.db2.gz LUYMEHFIUGQVRA-RYUDHWBXSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NC[C@H]1CCOC1 ZINC001574988079 950317211 /nfs/dbraw/zinc/31/72/11/950317211.db2.gz LUYMEHFIUGQVRA-VXGBXAGGSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NC[C@H]1CCOC1 ZINC001574988079 950317188 /nfs/dbraw/zinc/31/71/88/950317188.db2.gz LUYMEHFIUGQVRA-VXGBXAGGSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCN1CCCC1=O ZINC001574988103 950315641 /nfs/dbraw/zinc/31/56/41/950315641.db2.gz MAZSGFZFQOCCSZ-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCN1CCCC1=O ZINC001574988103 950315622 /nfs/dbraw/zinc/31/56/22/950315622.db2.gz MAZSGFZFQOCCSZ-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCN1CCCC1=O ZINC001574988104 950314359 /nfs/dbraw/zinc/31/43/59/950314359.db2.gz MAZSGFZFQOCCSZ-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCN1CCCC1=O ZINC001574988104 950314337 /nfs/dbraw/zinc/31/43/37/950314337.db2.gz MAZSGFZFQOCCSZ-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COC1CCOCC1 ZINC001574988105 950315274 /nfs/dbraw/zinc/31/52/74/950315274.db2.gz MDLNKZAZNIEDOI-LLVKDONJSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COC1CCOCC1 ZINC001574988105 950315254 /nfs/dbraw/zinc/31/52/54/950315254.db2.gz MDLNKZAZNIEDOI-LLVKDONJSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COC1CCOCC1 ZINC001574988106 950313139 /nfs/dbraw/zinc/31/31/39/950313139.db2.gz MDLNKZAZNIEDOI-NSHDSACASA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)COC1CCOCC1 ZINC001574988106 950313113 /nfs/dbraw/zinc/31/31/13/950313113.db2.gz MDLNKZAZNIEDOI-NSHDSACASA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001574988165 950321651 /nfs/dbraw/zinc/32/16/51/950321651.db2.gz NNVAAPIFGAUTFU-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001574988165 950321625 /nfs/dbraw/zinc/32/16/25/950321625.db2.gz NNVAAPIFGAUTFU-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001574988166 950317593 /nfs/dbraw/zinc/31/75/93/950317593.db2.gz NNVAAPIFGAUTFU-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001574988166 950317564 /nfs/dbraw/zinc/31/75/64/950317564.db2.gz NNVAAPIFGAUTFU-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CCN(C)S(C)(=O)=O ZINC001574988195 950319992 /nfs/dbraw/zinc/31/99/92/950319992.db2.gz OHVRRQOQHMZMFA-JTQLQIEISA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CCN(C)S(C)(=O)=O ZINC001574988195 950319969 /nfs/dbraw/zinc/31/99/69/950319969.db2.gz OHVRRQOQHMZMFA-JTQLQIEISA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CCN(C)S(C)(=O)=O ZINC001574988196 950318421 /nfs/dbraw/zinc/31/84/21/950318421.db2.gz OHVRRQOQHMZMFA-SNVBAGLBSA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CCN(C)S(C)(=O)=O ZINC001574988196 950318398 /nfs/dbraw/zinc/31/83/98/950318398.db2.gz OHVRRQOQHMZMFA-SNVBAGLBSA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)Nc1cnccn1 ZINC001574988215 950328349 /nfs/dbraw/zinc/32/83/49/950328349.db2.gz OSQCTBSBQVXWKF-JTQLQIEISA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)Nc1cnccn1 ZINC001574988215 950328326 /nfs/dbraw/zinc/32/83/26/950328326.db2.gz OSQCTBSBQVXWKF-JTQLQIEISA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)Nc1cnccn1 ZINC001574988216 950324854 /nfs/dbraw/zinc/32/48/54/950324854.db2.gz OSQCTBSBQVXWKF-SNVBAGLBSA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)Nc1cnccn1 ZINC001574988216 950324832 /nfs/dbraw/zinc/32/48/32/950324832.db2.gz OSQCTBSBQVXWKF-SNVBAGLBSA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001574988219 950326999 /nfs/dbraw/zinc/32/69/99/950326999.db2.gz OUAICMKJXZFHFT-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001574988219 950326976 /nfs/dbraw/zinc/32/69/76/950326976.db2.gz OUAICMKJXZFHFT-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001574988220 950328548 /nfs/dbraw/zinc/32/85/48/950328548.db2.gz OUAICMKJXZFHFT-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001574988220 950328528 /nfs/dbraw/zinc/32/85/28/950328528.db2.gz OUAICMKJXZFHFT-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001574988221 950326530 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/nfs/dbraw/zinc/32/53/84/950325384.db2.gz PMYAJUPKSMHMOD-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cn(C)c(=O)cn1 ZINC001574988264 950327860 /nfs/dbraw/zinc/32/78/60/950327860.db2.gz PMYAJUPKSMHMOD-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cn(C)c(=O)cn1 ZINC001574988264 950327837 /nfs/dbraw/zinc/32/78/37/950327837.db2.gz PMYAJUPKSMHMOD-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NCC(F)(F)F ZINC001574988283 950330826 /nfs/dbraw/zinc/33/08/26/950330826.db2.gz PYIJWZJHEVVAJJ-MRVPVSSYSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NCC(F)(F)F ZINC001574988283 950330805 /nfs/dbraw/zinc/33/08/05/950330805.db2.gz PYIJWZJHEVVAJJ-MRVPVSSYSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)CC(=O)NCC(F)(F)F ZINC001574988284 950333636 /nfs/dbraw/zinc/33/36/36/950333636.db2.gz PYIJWZJHEVVAJJ-QMMMGPOBSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)CC(=O)NCC(F)(F)F ZINC001574988284 950333615 /nfs/dbraw/zinc/33/36/15/950333615.db2.gz PYIJWZJHEVVAJJ-QMMMGPOBSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CN1CCOCC1 ZINC001574988424 950335055 /nfs/dbraw/zinc/33/50/55/950335055.db2.gz RBWLYFCEOXYVHZ-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CN1CCOCC1 ZINC001574988424 950335037 /nfs/dbraw/zinc/33/50/37/950335037.db2.gz RBWLYFCEOXYVHZ-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CN1CCOCC1 ZINC001574988425 950330944 /nfs/dbraw/zinc/33/09/44/950330944.db2.gz RBWLYFCEOXYVHZ-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CN1CCOCC1 ZINC001574988425 950330912 /nfs/dbraw/zinc/33/09/12/950330912.db2.gz RBWLYFCEOXYVHZ-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001574988438 950329955 /nfs/dbraw/zinc/32/99/55/950329955.db2.gz RGVOBXHEGGVLST-NXEZZACHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001574988438 950329932 /nfs/dbraw/zinc/32/99/32/950329932.db2.gz RGVOBXHEGGVLST-NXEZZACHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001574988439 950332081 /nfs/dbraw/zinc/33/20/81/950332081.db2.gz RGVOBXHEGGVLST-UWVGGRQHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001574988439 950332059 /nfs/dbraw/zinc/33/20/59/950332059.db2.gz RGVOBXHEGGVLST-UWVGGRQHSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001574988440 950331261 /nfs/dbraw/zinc/33/12/61/950331261.db2.gz RGVOBXHEGGVLST-VHSXEESVSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001574988440 950331241 /nfs/dbraw/zinc/33/12/41/950331241.db2.gz RGVOBXHEGGVLST-VHSXEESVSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001574988441 950334013 /nfs/dbraw/zinc/33/40/13/950334013.db2.gz RGVOBXHEGGVLST-ZJUUUORDSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001574988441 950333989 /nfs/dbraw/zinc/33/39/89/950333989.db2.gz RGVOBXHEGGVLST-ZJUUUORDSA-N -1 3 375.389 -0.275 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cn(C)nn1 ZINC001574988442 950330723 /nfs/dbraw/zinc/33/07/23/950330723.db2.gz RHSQVBDNIOEGOM-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cn(C)nn1 ZINC001574988442 950330701 /nfs/dbraw/zinc/33/07/01/950330701.db2.gz RHSQVBDNIOEGOM-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cn(C)nn1 ZINC001574988445 950331072 /nfs/dbraw/zinc/33/10/72/950331072.db2.gz RHSQVBDNIOEGOM-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cn(C)nn1 ZINC001574988445 950331051 /nfs/dbraw/zinc/33/10/51/950331051.db2.gz RHSQVBDNIOEGOM-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)Cn1ccccc1=O ZINC001574988569 950336886 /nfs/dbraw/zinc/33/68/86/950336886.db2.gz SHFAVRURGVJCEK-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)Cn1ccccc1=O ZINC001574988569 950336863 /nfs/dbraw/zinc/33/68/63/950336863.db2.gz SHFAVRURGVJCEK-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)Cn1ccccc1=O ZINC001574988570 950340271 /nfs/dbraw/zinc/34/02/71/950340271.db2.gz SHFAVRURGVJCEK-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)Cn1ccccc1=O ZINC001574988570 950340250 /nfs/dbraw/zinc/34/02/50/950340250.db2.gz SHFAVRURGVJCEK-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CNC(=O)C1CCC1 ZINC001574988585 950338209 /nfs/dbraw/zinc/33/82/09/950338209.db2.gz SLAANDQBQOTSIA-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CNC(=O)C1CCC1 ZINC001574988585 950338188 /nfs/dbraw/zinc/33/81/88/950338188.db2.gz SLAANDQBQOTSIA-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CNC(=O)C1CCC1 ZINC001574988588 950338578 /nfs/dbraw/zinc/33/85/78/950338578.db2.gz SLAANDQBQOTSIA-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CNC(=O)C1CCC1 ZINC001574988588 950338564 /nfs/dbraw/zinc/33/85/64/950338564.db2.gz SLAANDQBQOTSIA-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM 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C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001574988595 950339409 /nfs/dbraw/zinc/33/94/09/950339409.db2.gz SOEPZMZFZNJUFX-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001574988598 950338895 /nfs/dbraw/zinc/33/88/95/950338895.db2.gz SOEPZMZFZNJUFX-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001574988598 950338874 /nfs/dbraw/zinc/33/88/74/950338874.db2.gz SOEPZMZFZNJUFX-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cnn(C)n1 ZINC001574988600 950337905 /nfs/dbraw/zinc/33/79/05/950337905.db2.gz SPCNKTAATZNSRV-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cnn(C)n1 ZINC001574988600 950337883 /nfs/dbraw/zinc/33/78/83/950337883.db2.gz SPCNKTAATZNSRV-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CCc1cnn(C)n1 ZINC001574988602 950337753 /nfs/dbraw/zinc/33/77/53/950337753.db2.gz SPCNKTAATZNSRV-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CCc1cnn(C)n1 ZINC001574988602 950337731 /nfs/dbraw/zinc/33/77/31/950337731.db2.gz SPCNKTAATZNSRV-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001574988643 950341210 /nfs/dbraw/zinc/34/12/10/950341210.db2.gz SVERPHYQRBMERL-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001574988643 950341189 /nfs/dbraw/zinc/34/11/89/950341189.db2.gz SVERPHYQRBMERL-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001574988644 950344525 /nfs/dbraw/zinc/34/45/25/950344525.db2.gz SVERPHYQRBMERL-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001574988644 950344508 /nfs/dbraw/zinc/34/45/08/950344508.db2.gz SVERPHYQRBMERL-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001574988645 950344032 /nfs/dbraw/zinc/34/40/32/950344032.db2.gz SVERPHYQRBMERL-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001574988645 950344017 /nfs/dbraw/zinc/34/40/17/950344017.db2.gz SVERPHYQRBMERL-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001574988648 950343211 /nfs/dbraw/zinc/34/32/11/950343211.db2.gz SVERPHYQRBMERL-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001574988648 950343192 /nfs/dbraw/zinc/34/31/92/950343192.db2.gz SVERPHYQRBMERL-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cccn(C)c1=O ZINC001574988650 950345337 /nfs/dbraw/zinc/34/53/37/950345337.db2.gz SVNMJXYVVAUHIL-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cccn(C)c1=O ZINC001574988650 950345316 /nfs/dbraw/zinc/34/53/16/950345316.db2.gz SVNMJXYVVAUHIL-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cccn(C)c1=O ZINC001574988651 950341560 /nfs/dbraw/zinc/34/15/60/950341560.db2.gz SVNMJXYVVAUHIL-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cccn(C)c1=O ZINC001574988651 950341538 /nfs/dbraw/zinc/34/15/38/950341538.db2.gz SVNMJXYVVAUHIL-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001574988828 950351925 /nfs/dbraw/zinc/35/19/25/950351925.db2.gz VWIAOFAAWHBNLP-CMPLNLGQSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001574988828 950351904 /nfs/dbraw/zinc/35/19/04/950351904.db2.gz VWIAOFAAWHBNLP-CMPLNLGQSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001574988829 950348824 /nfs/dbraw/zinc/34/88/24/950348824.db2.gz VWIAOFAAWHBNLP-JQWIXIFHSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001574988829 950348803 /nfs/dbraw/zinc/34/88/03/950348803.db2.gz VWIAOFAAWHBNLP-JQWIXIFHSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001574988830 950348232 /nfs/dbraw/zinc/34/82/32/950348232.db2.gz VWIAOFAAWHBNLP-PWSUYJOCSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001574988830 950348213 /nfs/dbraw/zinc/34/82/13/950348213.db2.gz VWIAOFAAWHBNLP-PWSUYJOCSA-N -1 3 377.405 -0.423 20 0 GBADHM 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C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001574989103 950356407 /nfs/dbraw/zinc/35/64/07/950356407.db2.gz XTBIKEJOMSIPMJ-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1OCCO[C@H]1C ZINC001574989135 950363276 /nfs/dbraw/zinc/36/32/76/950363276.db2.gz YAVKWFBEYYUHQM-KWBADKCTSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1OCCO[C@H]1C ZINC001574989135 950363253 /nfs/dbraw/zinc/36/32/53/950363253.db2.gz YAVKWFBEYYUHQM-KWBADKCTSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@H]1OCCO[C@H]1C ZINC001574989137 950358760 /nfs/dbraw/zinc/35/87/60/950358760.db2.gz YAVKWFBEYYUHQM-NRUUGDAUSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1OCCO[C@H]1C ZINC001574989137 950358743 /nfs/dbraw/zinc/35/87/43/950358743.db2.gz YAVKWFBEYYUHQM-NRUUGDAUSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cn(C)ccc1=O ZINC001574989161 950358825 /nfs/dbraw/zinc/35/88/25/950358825.db2.gz YDUCQEVYDILGMY-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cn(C)ccc1=O ZINC001574989161 950358799 /nfs/dbraw/zinc/35/87/99/950358799.db2.gz YDUCQEVYDILGMY-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)c1cn(C)ccc1=O ZINC001574989163 950363085 /nfs/dbraw/zinc/36/30/85/950363085.db2.gz YDUCQEVYDILGMY-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)c1cn(C)ccc1=O ZINC001574989163 950363064 /nfs/dbraw/zinc/36/30/64/950363064.db2.gz YDUCQEVYDILGMY-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)COC[C@H]1CCOC1 ZINC001574989342 950359006 /nfs/dbraw/zinc/35/90/06/950359006.db2.gz YJJVSKXWESBKJT-NEPJUHHUSA-N -1 3 391.432 -0.175 20 0 GBADHM 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950360511 /nfs/dbraw/zinc/36/05/11/950360511.db2.gz YXROMQLNYDUSFY-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001574989400 950360491 /nfs/dbraw/zinc/36/04/91/950360491.db2.gz YXROMQLNYDUSFY-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574989402 950359080 /nfs/dbraw/zinc/35/90/80/950359080.db2.gz YXROMQLNYDUSFY-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001574989402 950359051 /nfs/dbraw/zinc/35/90/51/950359051.db2.gz YXROMQLNYDUSFY-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001574989467 950367361 /nfs/dbraw/zinc/36/73/61/950367361.db2.gz ZLWRDEZQEPYTHK-JTQLQIEISA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001574989467 950367343 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C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COCc1ccnn1C ZINC001574990586 950378150 /nfs/dbraw/zinc/37/81/50/950378150.db2.gz DCVQUXCEGUUYRD-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COCc1ccnn1C ZINC001574990586 950378131 /nfs/dbraw/zinc/37/81/31/950378131.db2.gz DCVQUXCEGUUYRD-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CN1CCCCCC1=O ZINC001574990644 950375872 /nfs/dbraw/zinc/37/58/72/950375872.db2.gz DVZNJIUSCZTVFV-LLVKDONJSA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CN1CCCCCC1=O ZINC001574990644 950375850 /nfs/dbraw/zinc/37/58/50/950375850.db2.gz DVZNJIUSCZTVFV-LLVKDONJSA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CN1CCCCCC1=O ZINC001574990646 950379718 /nfs/dbraw/zinc/37/97/18/950379718.db2.gz DVZNJIUSCZTVFV-NSHDSACASA-N -1 3 388.432 -0.168 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CN1CCCCCC1=O ZINC001574990646 950379696 /nfs/dbraw/zinc/37/96/96/950379696.db2.gz DVZNJIUSCZTVFV-NSHDSACASA-N -1 3 388.432 -0.168 20 0 GBADHM CC(C)N1C[C@H](C(=O)N[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1=O ZINC001574990734 950385082 /nfs/dbraw/zinc/38/50/82/950385082.db2.gz FOJCIOFNTDPIDI-CMPLNLGQSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@H](C(=O)N[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1=O ZINC001574990734 950385062 /nfs/dbraw/zinc/38/50/62/950385062.db2.gz FOJCIOFNTDPIDI-CMPLNLGQSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@@H](C(=O)N[C@@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1=O ZINC001574990735 950381632 /nfs/dbraw/zinc/38/16/32/950381632.db2.gz FOJCIOFNTDPIDI-JQWIXIFHSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@@H](C(=O)N[C@@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1=O ZINC001574990735 950381614 /nfs/dbraw/zinc/38/16/14/950381614.db2.gz FOJCIOFNTDPIDI-JQWIXIFHSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@@H](C(=O)N[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1=O ZINC001574990736 950380506 /nfs/dbraw/zinc/38/05/06/950380506.db2.gz FOJCIOFNTDPIDI-PWSUYJOCSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@@H](C(=O)N[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1=O ZINC001574990736 950380486 /nfs/dbraw/zinc/38/04/86/950380486.db2.gz FOJCIOFNTDPIDI-PWSUYJOCSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@H](C(=O)N[C@H](C)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1=O ZINC001574990737 950383155 /nfs/dbraw/zinc/38/31/55/950383155.db2.gz FOJCIOFNTDPIDI-ZYHUDNBSSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@H](C(=O)N[C@H](C)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1=O ZINC001574990737 950383134 /nfs/dbraw/zinc/38/31/34/950383134.db2.gz FOJCIOFNTDPIDI-ZYHUDNBSSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCNC(=O)C1CCC1 ZINC001574990844 950381437 /nfs/dbraw/zinc/38/14/37/950381437.db2.gz FRNWFCYEKROULW-JTQLQIEISA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCNC(=O)C1CCC1 ZINC001574990844 950381418 /nfs/dbraw/zinc/38/14/18/950381418.db2.gz FRNWFCYEKROULW-JTQLQIEISA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCNC(=O)C1CCC1 ZINC001574990845 950384507 /nfs/dbraw/zinc/38/45/07/950384507.db2.gz FRNWFCYEKROULW-SNVBAGLBSA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCNC(=O)C1CCC1 ZINC001574990845 950384477 /nfs/dbraw/zinc/38/44/77/950384477.db2.gz FRNWFCYEKROULW-SNVBAGLBSA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001574991213 950395272 /nfs/dbraw/zinc/39/52/72/950395272.db2.gz IWTLZCXKXQKRBS-GHMZBOCLSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001574991213 950395251 /nfs/dbraw/zinc/39/52/51/950395251.db2.gz IWTLZCXKXQKRBS-GHMZBOCLSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCc2cncn2C1 ZINC001574991214 950392598 /nfs/dbraw/zinc/39/25/98/950392598.db2.gz IWTLZCXKXQKRBS-MNOVXSKESA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCc2cncn2C1 ZINC001574991214 950392577 /nfs/dbraw/zinc/39/25/77/950392577.db2.gz IWTLZCXKXQKRBS-MNOVXSKESA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCc2cncn2C1 ZINC001574991215 950393279 /nfs/dbraw/zinc/39/32/79/950393279.db2.gz IWTLZCXKXQKRBS-QWRGUYRKSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCc2cncn2C1 ZINC001574991215 950393258 /nfs/dbraw/zinc/39/32/58/950393258.db2.gz IWTLZCXKXQKRBS-QWRGUYRKSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001574991216 950392146 /nfs/dbraw/zinc/39/21/46/950392146.db2.gz IWTLZCXKXQKRBS-WDEREUQCSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001574991216 950392126 /nfs/dbraw/zinc/39/21/26/950392126.db2.gz IWTLZCXKXQKRBS-WDEREUQCSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001574991219 950390897 /nfs/dbraw/zinc/39/08/97/950390897.db2.gz JDNTYNVFWFHMGR-GHMZBOCLSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001574991219 950390868 /nfs/dbraw/zinc/39/08/68/950390868.db2.gz JDNTYNVFWFHMGR-GHMZBOCLSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001574991220 950396160 /nfs/dbraw/zinc/39/61/60/950396160.db2.gz JDNTYNVFWFHMGR-MNOVXSKESA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001574991220 950396140 /nfs/dbraw/zinc/39/61/40/950396140.db2.gz JDNTYNVFWFHMGR-MNOVXSKESA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001574991221 950391352 /nfs/dbraw/zinc/39/13/52/950391352.db2.gz JDNTYNVFWFHMGR-QWRGUYRKSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001574991221 950391333 /nfs/dbraw/zinc/39/13/33/950391333.db2.gz JDNTYNVFWFHMGR-QWRGUYRKSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001574991222 950392321 /nfs/dbraw/zinc/39/23/21/950392321.db2.gz JDNTYNVFWFHMGR-WDEREUQCSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001574991222 950392298 /nfs/dbraw/zinc/39/22/98/950392298.db2.gz JDNTYNVFWFHMGR-WDEREUQCSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCn1cnccc1=O ZINC001574991296 950391748 /nfs/dbraw/zinc/39/17/48/950391748.db2.gz JKQRSJWSVVNBJI-JTQLQIEISA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCn1cnccc1=O ZINC001574991296 950391731 /nfs/dbraw/zinc/39/17/31/950391731.db2.gz JKQRSJWSVVNBJI-JTQLQIEISA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCn1cnccc1=O ZINC001574991297 950393794 /nfs/dbraw/zinc/39/37/94/950393794.db2.gz JKQRSJWSVVNBJI-SNVBAGLBSA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCn1cnccc1=O ZINC001574991297 950393773 /nfs/dbraw/zinc/39/37/73/950393773.db2.gz JKQRSJWSVVNBJI-SNVBAGLBSA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574991298 950393054 /nfs/dbraw/zinc/39/30/54/950393054.db2.gz JNCYBWVNYOVNPF-GZMMTYOYSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574991298 950393035 /nfs/dbraw/zinc/39/30/35/950393035.db2.gz JNCYBWVNYOVNPF-GZMMTYOYSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574991299 950394089 /nfs/dbraw/zinc/39/40/89/950394089.db2.gz JNCYBWVNYOVNPF-KCJUWKMLSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574991299 950394072 /nfs/dbraw/zinc/39/40/72/950394072.db2.gz JNCYBWVNYOVNPF-KCJUWKMLSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574991300 950391416 /nfs/dbraw/zinc/39/14/16/950391416.db2.gz JNCYBWVNYOVNPF-KWQFWETISA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001574991300 950391399 /nfs/dbraw/zinc/39/13/99/950391399.db2.gz JNCYBWVNYOVNPF-KWQFWETISA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574991301 950393412 /nfs/dbraw/zinc/39/34/12/950393412.db2.gz JNCYBWVNYOVNPF-LDYMZIIASA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001574991301 950393388 /nfs/dbraw/zinc/39/33/88/950393388.db2.gz JNCYBWVNYOVNPF-LDYMZIIASA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CNC(=O)N1CCCC1 ZINC001574991308 950395884 /nfs/dbraw/zinc/39/58/84/950395884.db2.gz JUVOBQWQKVPVKT-JTQLQIEISA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CNC(=O)N1CCCC1 ZINC001574991308 950395864 /nfs/dbraw/zinc/39/58/64/950395864.db2.gz JUVOBQWQKVPVKT-JTQLQIEISA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CNC(=O)N1CCCC1 ZINC001574991309 950392207 /nfs/dbraw/zinc/39/22/07/950392207.db2.gz JUVOBQWQKVPVKT-SNVBAGLBSA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CNC(=O)N1CCCC1 ZINC001574991309 950392187 /nfs/dbraw/zinc/39/21/87/950392187.db2.gz JUVOBQWQKVPVKT-SNVBAGLBSA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCN1CCOCC1 ZINC001574991310 950391583 /nfs/dbraw/zinc/39/15/83/950391583.db2.gz JVYDVKXJCUMEOL-LLVKDONJSA-N -1 3 376.421 -0.848 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCN1CCOCC1 ZINC001574991310 950391561 /nfs/dbraw/zinc/39/15/61/950391561.db2.gz JVYDVKXJCUMEOL-LLVKDONJSA-N -1 3 376.421 -0.848 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCN1CCOCC1 ZINC001574991311 950394936 /nfs/dbraw/zinc/39/49/36/950394936.db2.gz JVYDVKXJCUMEOL-NSHDSACASA-N -1 3 376.421 -0.848 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCN1CCOCC1 ZINC001574991311 950394913 /nfs/dbraw/zinc/39/49/13/950394913.db2.gz JVYDVKXJCUMEOL-NSHDSACASA-N -1 3 376.421 -0.848 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)N1CCCCC1=O ZINC001574991348 950397355 /nfs/dbraw/zinc/39/73/55/950397355.db2.gz KOABVOXGMVJXHL-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)N1CCCCC1=O ZINC001574991348 950397334 /nfs/dbraw/zinc/39/73/34/950397334.db2.gz KOABVOXGMVJXHL-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)N1CCCCC1=O ZINC001574991349 950398075 /nfs/dbraw/zinc/39/80/75/950398075.db2.gz KOABVOXGMVJXHL-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)N1CCCCC1=O ZINC001574991349 950398057 /nfs/dbraw/zinc/39/80/57/950398057.db2.gz KOABVOXGMVJXHL-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)N1CCCCC1=O ZINC001574991350 950398314 /nfs/dbraw/zinc/39/83/14/950398314.db2.gz KOABVOXGMVJXHL-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)N1CCCCC1=O ZINC001574991350 950398293 /nfs/dbraw/zinc/39/82/93/950398293.db2.gz KOABVOXGMVJXHL-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)N1CCCCC1=O ZINC001574991351 950396762 /nfs/dbraw/zinc/39/67/62/950396762.db2.gz KOABVOXGMVJXHL-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)N1CCCCC1=O ZINC001574991351 950396742 /nfs/dbraw/zinc/39/67/42/950396742.db2.gz KOABVOXGMVJXHL-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001574991398 950398540 /nfs/dbraw/zinc/39/85/40/950398540.db2.gz LBQYFUAUGTUZIJ-GHMZBOCLSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001574991398 950398508 /nfs/dbraw/zinc/39/85/08/950398508.db2.gz LBQYFUAUGTUZIJ-GHMZBOCLSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001574991399 950400805 /nfs/dbraw/zinc/40/08/05/950400805.db2.gz LBQYFUAUGTUZIJ-MNOVXSKESA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001574991399 950400790 /nfs/dbraw/zinc/40/07/90/950400790.db2.gz LBQYFUAUGTUZIJ-MNOVXSKESA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001574991400 950398773 /nfs/dbraw/zinc/39/87/73/950398773.db2.gz LBQYFUAUGTUZIJ-QWRGUYRKSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001574991400 950398749 /nfs/dbraw/zinc/39/87/49/950398749.db2.gz LBQYFUAUGTUZIJ-QWRGUYRKSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001574991401 950396394 /nfs/dbraw/zinc/39/63/94/950396394.db2.gz LBQYFUAUGTUZIJ-WDEREUQCSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001574991401 950396367 /nfs/dbraw/zinc/39/63/67/950396367.db2.gz LBQYFUAUGTUZIJ-WDEREUQCSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCCC(=O)N(C)C ZINC001574991424 950404706 /nfs/dbraw/zinc/40/47/06/950404706.db2.gz LLCCEYMBDSBILZ-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCCC(=O)N(C)C ZINC001574991424 950404687 /nfs/dbraw/zinc/40/46/87/950404687.db2.gz LLCCEYMBDSBILZ-JTQLQIEISA-N -1 3 376.421 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388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COCc1nccn1C ZINC001574991626 950414291 /nfs/dbraw/zinc/41/42/91/950414291.db2.gz PQYVOCRIMNMWFH-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COCc1nccn1C ZINC001574991626 950414279 /nfs/dbraw/zinc/41/42/79/950414279.db2.gz PQYVOCRIMNMWFH-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)COCc1nccn1C ZINC001574991627 950414516 /nfs/dbraw/zinc/41/45/16/950414516.db2.gz PQYVOCRIMNMWFH-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)COCc1nccn1C ZINC001574991627 950414505 /nfs/dbraw/zinc/41/45/05/950414505.db2.gz PQYVOCRIMNMWFH-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)NC(=O)C1CCC1 ZINC001574991674 950416679 /nfs/dbraw/zinc/41/66/79/950416679.db2.gz QXKQGJKCORMFLC-NXEZZACHSA-N -1 3 388.432 -0.266 20 0 GBADHM 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C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001574991820 950421450 /nfs/dbraw/zinc/42/14/50/950421450.db2.gz RXNIORILXFJURO-VHSXEESVSA-N -1 3 383.416 -0.043 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001574991820 950421440 /nfs/dbraw/zinc/42/14/40/950421440.db2.gz RXNIORILXFJURO-VHSXEESVSA-N -1 3 383.416 -0.043 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001574991821 950420696 /nfs/dbraw/zinc/42/06/96/950420696.db2.gz RXNIORILXFJURO-ZJUUUORDSA-N -1 3 383.416 -0.043 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001574991821 950420683 /nfs/dbraw/zinc/42/06/83/950420683.db2.gz RXNIORILXFJURO-ZJUUUORDSA-N -1 3 383.416 -0.043 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CNC(=O)CC(C)(C)C ZINC001574991869 950422226 /nfs/dbraw/zinc/42/22/26/950422226.db2.gz SUJOZTHMRIYULU-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CNC(=O)CC(C)(C)C ZINC001574991869 950422213 /nfs/dbraw/zinc/42/22/13/950422213.db2.gz SUJOZTHMRIYULU-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CNC(=O)CC(C)(C)C ZINC001574991871 950422285 /nfs/dbraw/zinc/42/22/85/950422285.db2.gz SUJOZTHMRIYULU-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CNC(=O)CC(C)(C)C ZINC001574991871 950422269 /nfs/dbraw/zinc/42/22/69/950422269.db2.gz SUJOZTHMRIYULU-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCNC(=O)C(C)(C)C ZINC001574991898 950421012 /nfs/dbraw/zinc/42/10/12/950421012.db2.gz TZSGYWYHJWTGCW-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCNC(=O)C(C)(C)C ZINC001574991898 950420997 /nfs/dbraw/zinc/42/09/97/950420997.db2.gz TZSGYWYHJWTGCW-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCNC(=O)C(C)(C)C ZINC001574991900 950423008 /nfs/dbraw/zinc/42/30/08/950423008.db2.gz TZSGYWYHJWTGCW-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCNC(=O)C(C)(C)C ZINC001574991900 950422993 /nfs/dbraw/zinc/42/29/93/950422993.db2.gz TZSGYWYHJWTGCW-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001574991970 950426514 /nfs/dbraw/zinc/42/65/14/950426514.db2.gz UJHPSPOIGZQHHI-NXEZZACHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001574991970 950426500 /nfs/dbraw/zinc/42/65/00/950426500.db2.gz UJHPSPOIGZQHHI-NXEZZACHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001574991971 950427727 /nfs/dbraw/zinc/42/77/27/950427727.db2.gz UJHPSPOIGZQHHI-UWVGGRQHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001574991971 950427716 /nfs/dbraw/zinc/42/77/16/950427716.db2.gz UJHPSPOIGZQHHI-UWVGGRQHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574991972 950428560 /nfs/dbraw/zinc/42/85/60/950428560.db2.gz UJHPSPOIGZQHHI-VHSXEESVSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574991972 950428548 /nfs/dbraw/zinc/42/85/48/950428548.db2.gz UJHPSPOIGZQHHI-VHSXEESVSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001574991973 950425477 /nfs/dbraw/zinc/42/54/77/950425477.db2.gz UJHPSPOIGZQHHI-ZJUUUORDSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001574991973 950425464 /nfs/dbraw/zinc/42/54/64/950425464.db2.gz UJHPSPOIGZQHHI-ZJUUUORDSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCn1ccccc1=O ZINC001574992070 950433214 /nfs/dbraw/zinc/43/32/14/950433214.db2.gz WSRSAJWENWJVSP-LLVKDONJSA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCn1ccccc1=O ZINC001574992070 950433207 /nfs/dbraw/zinc/43/32/07/950433207.db2.gz WSRSAJWENWJVSP-LLVKDONJSA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)CCn1ccccc1=O ZINC001574992071 950430948 /nfs/dbraw/zinc/43/09/48/950430948.db2.gz WSRSAJWENWJVSP-NSHDSACASA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)CCn1ccccc1=O ZINC001574992071 950430935 /nfs/dbraw/zinc/43/09/35/950430935.db2.gz WSRSAJWENWJVSP-NSHDSACASA-N -1 3 384.400 -0.319 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C(C)(C)N1CCOCC1 ZINC001574992166 950438287 /nfs/dbraw/zinc/43/82/87/950438287.db2.gz YDTNDEONVFKELD-LLVKDONJSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C(C)(C)N1CCOCC1 ZINC001574992166 950438273 /nfs/dbraw/zinc/43/82/73/950438273.db2.gz YDTNDEONVFKELD-LLVKDONJSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)C(C)(C)N1CCOCC1 ZINC001574992167 950436350 /nfs/dbraw/zinc/43/63/50/950436350.db2.gz YDTNDEONVFKELD-NSHDSACASA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)C(C)(C)N1CCOCC1 ZINC001574992167 950436339 /nfs/dbraw/zinc/43/63/39/950436339.db2.gz YDTNDEONVFKELD-NSHDSACASA-N -1 3 390.448 -0.460 20 0 GBADHM CC(C)C(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574992225 950440653 /nfs/dbraw/zinc/44/06/53/950440653.db2.gz YZPFYFIEMWQXCH-JTQLQIEISA-N -1 3 376.421 -0.456 20 0 GBADHM CC(C)C(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574992225 950440645 /nfs/dbraw/zinc/44/06/45/950440645.db2.gz YZPFYFIEMWQXCH-JTQLQIEISA-N -1 3 376.421 -0.456 20 0 GBADHM CC(C)C(=O)N(C)CC(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574992227 950441608 /nfs/dbraw/zinc/44/16/08/950441608.db2.gz YZPFYFIEMWQXCH-SNVBAGLBSA-N -1 3 376.421 -0.456 20 0 GBADHM CC(C)C(=O)N(C)CC(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574992227 950441600 /nfs/dbraw/zinc/44/16/00/950441600.db2.gz YZPFYFIEMWQXCH-SNVBAGLBSA-N -1 3 376.421 -0.456 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(CC2CC2)nn1 ZINC001574992383 950446714 /nfs/dbraw/zinc/44/67/14/950446714.db2.gz BEVFTFLOYPYQEO-SECBINFHSA-N -1 3 384.404 -0.255 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(CC2CC2)nn1 ZINC001574992383 950446701 /nfs/dbraw/zinc/44/67/01/950446701.db2.gz BEVFTFLOYPYQEO-SECBINFHSA-N -1 3 384.404 -0.255 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn(CC2CC2)nn1 ZINC001574992384 950444403 /nfs/dbraw/zinc/44/44/03/950444403.db2.gz BEVFTFLOYPYQEO-VIFPVBQESA-N -1 3 384.404 -0.255 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn(CC2CC2)nn1 ZINC001574992384 950444386 /nfs/dbraw/zinc/44/43/86/950444386.db2.gz BEVFTFLOYPYQEO-VIFPVBQESA-N -1 3 384.404 -0.255 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574992393 950446988 /nfs/dbraw/zinc/44/69/88/950446988.db2.gz BFINLTGAWJRNMG-SECBINFHSA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574992393 950446976 /nfs/dbraw/zinc/44/69/76/950446976.db2.gz BFINLTGAWJRNMG-SECBINFHSA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574992394 950444604 /nfs/dbraw/zinc/44/46/04/950444604.db2.gz BFINLTGAWJRNMG-VIFPVBQESA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1c2c(nn1C)CCC2 ZINC001574992394 950444591 /nfs/dbraw/zinc/44/45/91/950444591.db2.gz BFINLTGAWJRNMG-VIFPVBQESA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn2c(n1)COCC2 ZINC001574992443 950444043 /nfs/dbraw/zinc/44/40/43/950444043.db2.gz CKOUKIBQBNVGBD-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn2c(n1)COCC2 ZINC001574992443 950444031 /nfs/dbraw/zinc/44/40/31/950444031.db2.gz CKOUKIBQBNVGBD-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cn2c(n1)COCC2 ZINC001574992444 950446150 /nfs/dbraw/zinc/44/61/50/950446150.db2.gz CKOUKIBQBNVGBD-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cn2c(n1)COCC2 ZINC001574992444 950446130 /nfs/dbraw/zinc/44/61/30/950446130.db2.gz CKOUKIBQBNVGBD-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc2n1CCOC2 ZINC001574992477 950451618 /nfs/dbraw/zinc/45/16/18/950451618.db2.gz DGVCMLYJDACXCM-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc2n1CCOC2 ZINC001574992477 950451605 /nfs/dbraw/zinc/45/16/05/950451605.db2.gz DGVCMLYJDACXCM-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc2n1CCOC2 ZINC001574992478 950449544 /nfs/dbraw/zinc/44/95/44/950449544.db2.gz DGVCMLYJDACXCM-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc2n1CCOC2 ZINC001574992478 950449523 /nfs/dbraw/zinc/44/95/23/950449523.db2.gz DGVCMLYJDACXCM-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001574992499 950448496 /nfs/dbraw/zinc/44/84/96/950448496.db2.gz DRTJMHSGDZUQGB-MVWJERBFSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001574992499 950448478 /nfs/dbraw/zinc/44/84/78/950448478.db2.gz DRTJMHSGDZUQGB-MVWJERBFSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001574992500 950451391 /nfs/dbraw/zinc/45/13/91/950451391.db2.gz DRTJMHSGDZUQGB-YUSALJHKSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001574992500 950451378 /nfs/dbraw/zinc/45/13/78/950451378.db2.gz DRTJMHSGDZUQGB-YUSALJHKSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574992525 950451173 /nfs/dbraw/zinc/45/11/73/950451173.db2.gz FMWVMPBQXORIAH-GASQSECBSA-N -1 3 389.416 -0.519 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574992525 950451158 /nfs/dbraw/zinc/45/11/58/950451158.db2.gz FMWVMPBQXORIAH-GASQSECBSA-N -1 3 389.416 -0.519 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574992526 950448554 /nfs/dbraw/zinc/44/85/54/950448554.db2.gz FMWVMPBQXORIAH-QVSJOPQTSA-N -1 3 389.416 -0.519 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001574992526 950448534 /nfs/dbraw/zinc/44/85/34/950448534.db2.gz FMWVMPBQXORIAH-QVSJOPQTSA-N -1 3 389.416 -0.519 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnc2ccnn21 ZINC001574992637 950454372 /nfs/dbraw/zinc/45/43/72/950454372.db2.gz GAKFDJCNNHPBAX-SECBINFHSA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnc2ccnn21 ZINC001574992637 950454362 /nfs/dbraw/zinc/45/43/62/950454362.db2.gz GAKFDJCNNHPBAX-SECBINFHSA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ccnc2ccnn21 ZINC001574992638 950456118 /nfs/dbraw/zinc/45/61/18/950456118.db2.gz GAKFDJCNNHPBAX-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ccnc2ccnn21 ZINC001574992638 950456105 /nfs/dbraw/zinc/45/61/05/950456105.db2.gz GAKFDJCNNHPBAX-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(CN(C)C)on1 ZINC001574992987 950457426 /nfs/dbraw/zinc/45/74/26/950457426.db2.gz HXAZBINQLBXGKF-SECBINFHSA-N -1 3 387.404 -0.207 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(CN(C)C)on1 ZINC001574992987 950457405 /nfs/dbraw/zinc/45/74/05/950457405.db2.gz HXAZBINQLBXGKF-SECBINFHSA-N -1 3 387.404 -0.207 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc(CN(C)C)on1 ZINC001574992989 950458734 /nfs/dbraw/zinc/45/87/34/950458734.db2.gz HXAZBINQLBXGKF-VIFPVBQESA-N -1 3 387.404 -0.207 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc(CN(C)C)on1 ZINC001574992989 950458722 /nfs/dbraw/zinc/45/87/22/950458722.db2.gz HXAZBINQLBXGKF-VIFPVBQESA-N -1 3 387.404 -0.207 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574993108 950458324 /nfs/dbraw/zinc/45/83/24/950458324.db2.gz IWJACCFCQSPWLW-SECBINFHSA-N -1 3 384.404 -0.402 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574993108 950458309 /nfs/dbraw/zinc/45/83/09/950458309.db2.gz IWJACCFCQSPWLW-SECBINFHSA-N -1 3 384.404 -0.402 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574993112 950459514 /nfs/dbraw/zinc/45/95/14/950459514.db2.gz IWJACCFCQSPWLW-VIFPVBQESA-N -1 3 384.404 -0.402 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cn1cc(C2CC2)nn1 ZINC001574993112 950459503 /nfs/dbraw/zinc/45/95/03/950459503.db2.gz IWJACCFCQSPWLW-VIFPVBQESA-N -1 3 384.404 -0.402 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574993126 950458666 /nfs/dbraw/zinc/45/86/66/950458666.db2.gz JJFQLNYDXAXPCP-JIMOISOXSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574993126 950458655 /nfs/dbraw/zinc/45/86/55/950458655.db2.gz JJFQLNYDXAXPCP-JIMOISOXSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574993127 950464271 /nfs/dbraw/zinc/46/42/71/950464271.db2.gz JJFQLNYDXAXPCP-TVYUQYBPSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001574993127 950464252 /nfs/dbraw/zinc/46/42/52/950464252.db2.gz JJFQLNYDXAXPCP-TVYUQYBPSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574993506 950461448 /nfs/dbraw/zinc/46/14/48/950461448.db2.gz KOESISZGMWOVME-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574993506 950461436 /nfs/dbraw/zinc/46/14/36/950461436.db2.gz KOESISZGMWOVME-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574993510 950464821 /nfs/dbraw/zinc/46/48/21/950464821.db2.gz KOESISZGMWOVME-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cc2n(n1)CCCO2 ZINC001574993510 950464800 /nfs/dbraw/zinc/46/48/00/950464800.db2.gz KOESISZGMWOVME-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001574993544 950464584 /nfs/dbraw/zinc/46/45/84/950464584.db2.gz LBBHVLFHTIPBSB-SECBINFHSA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001574993544 950464562 /nfs/dbraw/zinc/46/45/62/950464562.db2.gz LBBHVLFHTIPBSB-SECBINFHSA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001574993549 950461504 /nfs/dbraw/zinc/46/15/04/950461504.db2.gz LBBHVLFHTIPBSB-VIFPVBQESA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001574993549 950461491 /nfs/dbraw/zinc/46/14/91/950461491.db2.gz LBBHVLFHTIPBSB-VIFPVBQESA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cn1cc(Cl)cn1 ZINC001574993856 950468065 /nfs/dbraw/zinc/46/80/65/950468065.db2.gz MRPZCYCVQDOTQG-MRVPVSSYSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cn1cc(Cl)cn1 ZINC001574993856 950468055 /nfs/dbraw/zinc/46/80/55/950468055.db2.gz MRPZCYCVQDOTQG-MRVPVSSYSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)Cn1cc(Cl)cn1 ZINC001574993859 950467986 /nfs/dbraw/zinc/46/79/86/950467986.db2.gz MRPZCYCVQDOTQG-QMMMGPOBSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)Cn1cc(Cl)cn1 ZINC001574993859 950467972 /nfs/dbraw/zinc/46/79/72/950467972.db2.gz MRPZCYCVQDOTQG-QMMMGPOBSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1noc2c1COCC2 ZINC001574993912 950472369 /nfs/dbraw/zinc/47/23/69/950472369.db2.gz NJFRRFLPQRZNBM-MRVPVSSYSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1noc2c1COCC2 ZINC001574993912 950472355 /nfs/dbraw/zinc/47/23/55/950472355.db2.gz NJFRRFLPQRZNBM-MRVPVSSYSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1noc2c1COCC2 ZINC001574993913 950471100 /nfs/dbraw/zinc/47/11/00/950471100.db2.gz NJFRRFLPQRZNBM-QMMMGPOBSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1noc2c1COCC2 ZINC001574993913 950471089 /nfs/dbraw/zinc/47/10/89/950471089.db2.gz NJFRRFLPQRZNBM-QMMMGPOBSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574994466 950481279 /nfs/dbraw/zinc/48/12/79/950481279.db2.gz RNTKENZGBFYMKE-SECBINFHSA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574994466 950481265 /nfs/dbraw/zinc/48/12/65/950481265.db2.gz RNTKENZGBFYMKE-SECBINFHSA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574994467 950478839 /nfs/dbraw/zinc/47/88/39/950478839.db2.gz RNTKENZGBFYMKE-VIFPVBQESA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnc(N(C)C)cn1 ZINC001574994467 950478827 /nfs/dbraw/zinc/47/88/27/950478827.db2.gz RNTKENZGBFYMKE-VIFPVBQESA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)N1CCOCC1 ZINC001574994528 950483268 /nfs/dbraw/zinc/48/32/68/950483268.db2.gz SVDMYAVLALJOKC-MNOVXSKESA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)N1CCOCC1 ZINC001574994528 950483244 /nfs/dbraw/zinc/48/32/44/950483244.db2.gz SVDMYAVLALJOKC-MNOVXSKESA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)N1CCOCC1 ZINC001574994529 950483336 /nfs/dbraw/zinc/48/33/36/950483336.db2.gz SVDMYAVLALJOKC-QWRGUYRKSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)N1CCOCC1 ZINC001574994529 950483318 /nfs/dbraw/zinc/48/33/18/950483318.db2.gz SVDMYAVLALJOKC-QWRGUYRKSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574995312 950507503 /nfs/dbraw/zinc/50/75/03/950507503.db2.gz DKKHUIGLWWJLQA-SECBINFHSA-N -1 3 387.379 -0.251 20 0 GBADHM C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574995312 950507489 /nfs/dbraw/zinc/50/74/89/950507489.db2.gz DKKHUIGLWWJLQA-SECBINFHSA-N -1 3 387.379 -0.251 20 0 GBADHM C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001574995314 950505456 /nfs/dbraw/zinc/50/54/56/950505456.db2.gz DKKHUIGLWWJLQA-VIFPVBQESA-N -1 3 387.379 -0.251 20 0 GBADHM C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001574995314 950505435 /nfs/dbraw/zinc/50/54/35/950505435.db2.gz DKKHUIGLWWJLQA-VIFPVBQESA-N -1 3 387.379 -0.251 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn2c1OCCC2 ZINC001574995419 950509897 /nfs/dbraw/zinc/50/98/97/950509897.db2.gz ZTTZYDAGRISCCR-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn2c1OCCC2 ZINC001574995419 950509881 /nfs/dbraw/zinc/50/98/81/950509881.db2.gz ZTTZYDAGRISCCR-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1cnn2c1OCCC2 ZINC001574995420 950510994 /nfs/dbraw/zinc/51/09/94/950510994.db2.gz ZTTZYDAGRISCCR-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1cnn2c1OCCC2 ZINC001574995420 950510975 /nfs/dbraw/zinc/51/09/75/950510975.db2.gz ZTTZYDAGRISCCR-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cc(=O)n(C)cn1 ZINC001574995687 950515632 /nfs/dbraw/zinc/51/56/32/950515632.db2.gz GTJWMRMQFUNVFK-SECBINFHSA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cc(=O)n(C)cn1 ZINC001574995687 950515611 /nfs/dbraw/zinc/51/56/11/950515611.db2.gz GTJWMRMQFUNVFK-SECBINFHSA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cc(=O)n(C)cn1 ZINC001574995688 950517168 /nfs/dbraw/zinc/51/71/68/950517168.db2.gz GTJWMRMQFUNVFK-VIFPVBQESA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cc(=O)n(C)cn1 ZINC001574995688 950517154 /nfs/dbraw/zinc/51/71/54/950517154.db2.gz GTJWMRMQFUNVFK-VIFPVBQESA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574995711 950514539 /nfs/dbraw/zinc/51/45/39/950514539.db2.gz HMLCGIWSSHPJSP-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574995711 950514522 /nfs/dbraw/zinc/51/45/22/950514522.db2.gz HMLCGIWSSHPJSP-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001574995712 950513856 /nfs/dbraw/zinc/51/38/56/950513856.db2.gz HMLCGIWSSHPJSP-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574995712 950513828 /nfs/dbraw/zinc/51/38/28/950513828.db2.gz HMLCGIWSSHPJSP-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001574996316 950527336 /nfs/dbraw/zinc/52/73/36/950527336.db2.gz 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C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)Nc1cncc(C(=O)N(C)C)n1 ZINC001574996418 950532114 /nfs/dbraw/zinc/53/21/14/950532114.db2.gz NBKLIHWWHZQWCS-VIFPVBQESA-N -1 3 384.404 -0.083 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)Nc1cncc(C(=O)N(C)C)n1 ZINC001574996418 950532087 /nfs/dbraw/zinc/53/20/87/950532087.db2.gz NBKLIHWWHZQWCS-VIFPVBQESA-N -1 3 384.404 -0.083 20 0 GBADHM C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574996672 950532045 /nfs/dbraw/zinc/53/20/45/950532045.db2.gz OBTITECMARTAAN-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574996672 950532030 /nfs/dbraw/zinc/53/20/30/950532030.db2.gz OBTITECMARTAAN-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574996673 950531520 /nfs/dbraw/zinc/53/15/20/950531520.db2.gz OBTITECMARTAAN-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM 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C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575005528 950687900 /nfs/dbraw/zinc/68/79/00/950687900.db2.gz HJRUNWDLYLQCHN-BDJLRTHQSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575005528 950687878 /nfs/dbraw/zinc/68/78/78/950687878.db2.gz HJRUNWDLYLQCHN-BDJLRTHQSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575005529 950689075 /nfs/dbraw/zinc/68/90/75/950689075.db2.gz HJRUNWDLYLQCHN-BZNIZROVSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575005529 950689059 /nfs/dbraw/zinc/68/90/59/950689059.db2.gz HJRUNWDLYLQCHN-BZNIZROVSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575005530 950689541 /nfs/dbraw/zinc/68/95/41/950689541.db2.gz HJRUNWDLYLQCHN-MEDUHNTESA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575005530 950689534 /nfs/dbraw/zinc/68/95/34/950689534.db2.gz HJRUNWDLYLQCHN-MEDUHNTESA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575005531 950688651 /nfs/dbraw/zinc/68/86/51/950688651.db2.gz HJRUNWDLYLQCHN-ZBEGNZNMSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575005531 950688637 /nfs/dbraw/zinc/68/86/37/950688637.db2.gz HJRUNWDLYLQCHN-ZBEGNZNMSA-N -1 3 388.388 -0.682 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575005732 950699202 /nfs/dbraw/zinc/69/92/02/950699202.db2.gz MAANHEQDHGPNSQ-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575005732 950699186 /nfs/dbraw/zinc/69/91/86/950699186.db2.gz MAANHEQDHGPNSQ-INIZCTEOSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575005733 950697006 /nfs/dbraw/zinc/69/70/06/950697006.db2.gz MAANHEQDHGPNSQ-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575005733 950696993 /nfs/dbraw/zinc/69/69/93/950696993.db2.gz MAANHEQDHGPNSQ-MRXNPFEDSA-N -1 3 384.404 -0.499 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575005814 950702626 /nfs/dbraw/zinc/70/26/26/950702626.db2.gz NVDJYCBRDJFDLS-PXAZEXFGSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575005814 950702608 /nfs/dbraw/zinc/70/26/08/950702608.db2.gz NVDJYCBRDJFDLS-PXAZEXFGSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575005815 950701428 /nfs/dbraw/zinc/70/14/28/950701428.db2.gz NVDJYCBRDJFDLS-SJCJKPOMSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575005815 950701410 /nfs/dbraw/zinc/70/14/10/950701410.db2.gz NVDJYCBRDJFDLS-SJCJKPOMSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575005816 950707302 /nfs/dbraw/zinc/70/73/02/950707302.db2.gz NVDJYCBRDJFDLS-SJKOYZFVSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575005816 950707293 /nfs/dbraw/zinc/70/72/93/950707293.db2.gz NVDJYCBRDJFDLS-SJKOYZFVSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575005817 950708327 /nfs/dbraw/zinc/70/83/27/950708327.db2.gz NVDJYCBRDJFDLS-YVEFUNNKSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575005817 950708306 /nfs/dbraw/zinc/70/83/06/950708306.db2.gz NVDJYCBRDJFDLS-YVEFUNNKSA-N -1 3 386.416 -0.512 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575006076 950715966 /nfs/dbraw/zinc/71/59/66/950715966.db2.gz RNGXIAODVOMGPZ-CXAGYDPISA-N -1 3 389.416 -0.375 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575006076 950715950 /nfs/dbraw/zinc/71/59/50/950715950.db2.gz RNGXIAODVOMGPZ-CXAGYDPISA-N -1 3 389.416 -0.375 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575006077 950715464 /nfs/dbraw/zinc/71/54/64/950715464.db2.gz RNGXIAODVOMGPZ-DYVFJYSZSA-N -1 3 389.416 -0.375 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575006077 950715450 /nfs/dbraw/zinc/71/54/50/950715450.db2.gz RNGXIAODVOMGPZ-DYVFJYSZSA-N -1 3 389.416 -0.375 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575006078 950715208 /nfs/dbraw/zinc/71/52/08/950715208.db2.gz RNGXIAODVOMGPZ-GUYCJALGSA-N -1 3 389.416 -0.375 20 0 GBADHM C[C@@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575006078 950715198 /nfs/dbraw/zinc/71/51/98/950715198.db2.gz RNGXIAODVOMGPZ-GUYCJALGSA-N -1 3 389.416 -0.375 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575006079 950714211 /nfs/dbraw/zinc/71/42/11/950714211.db2.gz RNGXIAODVOMGPZ-SUMWQHHRSA-N -1 3 389.416 -0.375 20 0 GBADHM C[C@](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575006079 950714186 /nfs/dbraw/zinc/71/41/86/950714186.db2.gz RNGXIAODVOMGPZ-SUMWQHHRSA-N -1 3 389.416 -0.375 20 0 GBADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575006492 950721921 /nfs/dbraw/zinc/72/19/21/950721921.db2.gz UXRAVJLWPZNLRR-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575006492 950721906 /nfs/dbraw/zinc/72/19/06/950721906.db2.gz UXRAVJLWPZNLRR-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575006493 950721866 /nfs/dbraw/zinc/72/18/66/950721866.db2.gz UXRAVJLWPZNLRR-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575006493 950721848 /nfs/dbraw/zinc/72/18/48/950721848.db2.gz UXRAVJLWPZNLRR-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575006642 950724707 /nfs/dbraw/zinc/72/47/07/950724707.db2.gz WVIQZHGAJDCDOH-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575006642 950724694 /nfs/dbraw/zinc/72/46/94/950724694.db2.gz WVIQZHGAJDCDOH-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575006644 950723708 /nfs/dbraw/zinc/72/37/08/950723708.db2.gz WVIQZHGAJDCDOH-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575006644 950723696 /nfs/dbraw/zinc/72/36/96/950723696.db2.gz WVIQZHGAJDCDOH-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575006913 950730597 /nfs/dbraw/zinc/73/05/97/950730597.db2.gz XUYZCXMZDWPPQB-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575006913 950730584 /nfs/dbraw/zinc/73/05/84/950730584.db2.gz XUYZCXMZDWPPQB-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575006915 950731643 /nfs/dbraw/zinc/73/16/43/950731643.db2.gz XUYZCXMZDWPPQB-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575006915 950731619 /nfs/dbraw/zinc/73/16/19/950731619.db2.gz XUYZCXMZDWPPQB-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575006942 950730756 /nfs/dbraw/zinc/73/07/56/950730756.db2.gz YQQUQDFFSSRABL-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575006942 950730743 /nfs/dbraw/zinc/73/07/43/950730743.db2.gz YQQUQDFFSSRABL-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575006943 950727842 /nfs/dbraw/zinc/72/78/42/950727842.db2.gz YQQUQDFFSSRABL-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575006943 950727824 /nfs/dbraw/zinc/72/78/24/950727824.db2.gz YQQUQDFFSSRABL-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575006944 950729595 /nfs/dbraw/zinc/72/95/95/950729595.db2.gz YRHFQQBTENDSNR-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CNC(=O)c1cc2n(n1)CCO2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575006944 950729579 /nfs/dbraw/zinc/72/95/79/950729579.db2.gz YRHFQQBTENDSNR-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575006945 950730037 /nfs/dbraw/zinc/73/00/37/950730037.db2.gz YRHFQQBTENDSNR-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CNC(=O)c1cc2n(n1)CCO2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575006945 950730019 /nfs/dbraw/zinc/73/00/19/950730019.db2.gz YRHFQQBTENDSNR-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001575007913 950735641 /nfs/dbraw/zinc/73/56/41/950735641.db2.gz BBFJWQXPKGKNKE-BMLIUANNSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001575007913 950735630 /nfs/dbraw/zinc/73/56/30/950735630.db2.gz BBFJWQXPKGKNKE-BMLIUANNSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575007914 950735736 /nfs/dbraw/zinc/73/57/36/950735736.db2.gz BBFJWQXPKGKNKE-BTDLBPIBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575007914 950735719 /nfs/dbraw/zinc/73/57/19/950735719.db2.gz BBFJWQXPKGKNKE-BTDLBPIBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001575007915 950732870 /nfs/dbraw/zinc/73/28/70/950732870.db2.gz BBFJWQXPKGKNKE-DYZYQPBXSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@]1(C)CCNC(=O)C1 ZINC001575007915 950732859 /nfs/dbraw/zinc/73/28/59/950732859.db2.gz BBFJWQXPKGKNKE-DYZYQPBXSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575007916 950733422 /nfs/dbraw/zinc/73/34/22/950733422.db2.gz BBFJWQXPKGKNKE-QGHHPUGFSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575007916 950733403 /nfs/dbraw/zinc/73/34/03/950733403.db2.gz BBFJWQXPKGKNKE-QGHHPUGFSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001575007920 950735511 /nfs/dbraw/zinc/73/55/11/950735511.db2.gz BCYAMDSGQVRJDR-BMLIUANNSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001575007920 950735499 /nfs/dbraw/zinc/73/54/99/950735499.db2.gz BCYAMDSGQVRJDR-BMLIUANNSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575007921 950734913 /nfs/dbraw/zinc/73/49/13/950734913.db2.gz BCYAMDSGQVRJDR-BTDLBPIBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575007921 950734897 /nfs/dbraw/zinc/73/48/97/950734897.db2.gz BCYAMDSGQVRJDR-BTDLBPIBSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001575007924 950732974 /nfs/dbraw/zinc/73/29/74/950732974.db2.gz BCYAMDSGQVRJDR-DYZYQPBXSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001575007924 950732957 /nfs/dbraw/zinc/73/29/57/950732957.db2.gz BCYAMDSGQVRJDR-DYZYQPBXSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575007926 950733334 /nfs/dbraw/zinc/73/33/34/950733334.db2.gz BCYAMDSGQVRJDR-QGHHPUGFSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575007926 950733318 /nfs/dbraw/zinc/73/33/18/950733318.db2.gz BCYAMDSGQVRJDR-QGHHPUGFSA-N -1 3 388.432 -0.407 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CN1CCOCC1 ZINC001575007938 950734951 /nfs/dbraw/zinc/73/49/51/950734951.db2.gz BGJLXUDPXQBTCD-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CN1CCOCC1 ZINC001575007938 950734940 /nfs/dbraw/zinc/73/49/40/950734940.db2.gz BGJLXUDPXQBTCD-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CN1CCOCC1 ZINC001575007940 950733773 /nfs/dbraw/zinc/73/37/73/950733773.db2.gz BGJLXUDPXQBTCD-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CN1CCOCC1 ZINC001575007940 950733759 /nfs/dbraw/zinc/73/37/59/950733759.db2.gz BGJLXUDPXQBTCD-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cn(C)ccc1=O ZINC001575007970 950737022 /nfs/dbraw/zinc/73/70/22/950737022.db2.gz BLYMHYQOSTUUST-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cn(C)ccc1=O ZINC001575007970 950737010 /nfs/dbraw/zinc/73/70/10/950737010.db2.gz BLYMHYQOSTUUST-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cn(C)ccc1=O ZINC001575007972 950738931 /nfs/dbraw/zinc/73/89/31/950738931.db2.gz BLYMHYQOSTUUST-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cn(C)ccc1=O ZINC001575007972 950738922 /nfs/dbraw/zinc/73/89/22/950738922.db2.gz BLYMHYQOSTUUST-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cccc(=O)n1C ZINC001575007991 950739511 /nfs/dbraw/zinc/73/95/11/950739511.db2.gz BSJWSYMJKSNBKQ-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cccc(=O)n1C ZINC001575007991 950739487 /nfs/dbraw/zinc/73/94/87/950739487.db2.gz BSJWSYMJKSNBKQ-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cccc(=O)n1C ZINC001575007992 950737188 /nfs/dbraw/zinc/73/71/88/950737188.db2.gz BSJWSYMJKSNBKQ-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cccc(=O)n1C ZINC001575007992 950737177 /nfs/dbraw/zinc/73/71/77/950737177.db2.gz BSJWSYMJKSNBKQ-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CNC(=O)C1CCC1 ZINC001575008171 950737325 /nfs/dbraw/zinc/73/73/25/950737325.db2.gz CDYVFJFDTGMJTA-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CNC(=O)C1CCC1 ZINC001575008171 950737317 /nfs/dbraw/zinc/73/73/17/950737317.db2.gz CDYVFJFDTGMJTA-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CNC(=O)C1CCC1 ZINC001575008173 950736938 /nfs/dbraw/zinc/73/69/38/950736938.db2.gz CDYVFJFDTGMJTA-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CNC(=O)C1CCC1 ZINC001575008173 950736923 /nfs/dbraw/zinc/73/69/23/950736923.db2.gz CDYVFJFDTGMJTA-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC1OCCCO1 ZINC001575008363 950742971 /nfs/dbraw/zinc/74/29/71/950742971.db2.gz DPHRTWKQJYXAFJ-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC1OCCCO1 ZINC001575008363 950742966 /nfs/dbraw/zinc/74/29/66/950742966.db2.gz DPHRTWKQJYXAFJ-JTQLQIEISA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CC1OCCCO1 ZINC001575008364 950743913 /nfs/dbraw/zinc/74/39/13/950743913.db2.gz DPHRTWKQJYXAFJ-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CC1OCCCO1 ZINC001575008364 950743899 /nfs/dbraw/zinc/74/38/99/950743899.db2.gz DPHRTWKQJYXAFJ-SNVBAGLBSA-N -1 3 377.405 -0.075 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575008436 950748426 /nfs/dbraw/zinc/74/84/26/950748426.db2.gz FFTRIYSMCAIFRP-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575008436 950748408 /nfs/dbraw/zinc/74/84/08/950748408.db2.gz FFTRIYSMCAIFRP-GWCFXTLKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575008438 950746489 /nfs/dbraw/zinc/74/64/89/950746489.db2.gz FFTRIYSMCAIFRP-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575008438 950746471 /nfs/dbraw/zinc/74/64/71/950746471.db2.gz FFTRIYSMCAIFRP-GXFFZTMASA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575008441 950748373 /nfs/dbraw/zinc/74/83/73/950748373.db2.gz FFTRIYSMCAIFRP-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575008441 950748360 /nfs/dbraw/zinc/74/83/60/950748360.db2.gz FFTRIYSMCAIFRP-MFKMUULPSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575008443 950748551 /nfs/dbraw/zinc/74/85/51/950748551.db2.gz FFTRIYSMCAIFRP-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575008443 950748529 /nfs/dbraw/zinc/74/85/29/950748529.db2.gz FFTRIYSMCAIFRP-ZWNOBZJWSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCN1CCCC1=O ZINC001575008713 950754127 /nfs/dbraw/zinc/75/41/27/950754127.db2.gz HCMJJUFXHLZNIL-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCN1CCCC1=O ZINC001575008713 950754107 /nfs/dbraw/zinc/75/41/07/950754107.db2.gz HCMJJUFXHLZNIL-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCN1CCCC1=O ZINC001575008714 950751210 /nfs/dbraw/zinc/75/12/10/950751210.db2.gz HCMJJUFXHLZNIL-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCN1CCCC1=O ZINC001575008714 950751199 /nfs/dbraw/zinc/75/11/99/950751199.db2.gz HCMJJUFXHLZNIL-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COC[C@H]1CCOC1 ZINC001575008719 950753512 /nfs/dbraw/zinc/75/35/12/950753512.db2.gz HGTDRTOCJGCYDD-NEPJUHHUSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COC[C@H]1CCOC1 ZINC001575008719 950753497 /nfs/dbraw/zinc/75/34/97/950753497.db2.gz HGTDRTOCJGCYDD-NEPJUHHUSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COC[C@@H]1CCOC1 ZINC001575008720 950750850 /nfs/dbraw/zinc/75/08/50/950750850.db2.gz HGTDRTOCJGCYDD-NWDGAFQWSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COC[C@@H]1CCOC1 ZINC001575008720 950750832 /nfs/dbraw/zinc/75/08/32/950750832.db2.gz HGTDRTOCJGCYDD-NWDGAFQWSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COC[C@H]1CCOC1 ZINC001575008721 950754288 /nfs/dbraw/zinc/75/42/88/950754288.db2.gz HGTDRTOCJGCYDD-RYUDHWBXSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COC[C@H]1CCOC1 ZINC001575008721 950754270 /nfs/dbraw/zinc/75/42/70/950754270.db2.gz HGTDRTOCJGCYDD-RYUDHWBXSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COC[C@@H]1CCOC1 ZINC001575008722 950751158 /nfs/dbraw/zinc/75/11/58/950751158.db2.gz HGTDRTOCJGCYDD-VXGBXAGGSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COC[C@@H]1CCOC1 ZINC001575008722 950751141 /nfs/dbraw/zinc/75/11/41/950751141.db2.gz HGTDRTOCJGCYDD-VXGBXAGGSA-N -1 3 391.432 -0.175 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575008774 950755386 /nfs/dbraw/zinc/75/53/86/950755386.db2.gz HTZDXMMLCDFDGM-NEPJUHHUSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575008774 950755373 /nfs/dbraw/zinc/75/53/73/950755373.db2.gz HTZDXMMLCDFDGM-NEPJUHHUSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575008775 950755068 /nfs/dbraw/zinc/75/50/68/950755068.db2.gz HTZDXMMLCDFDGM-NWDGAFQWSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575008775 950755060 /nfs/dbraw/zinc/75/50/60/950755060.db2.gz HTZDXMMLCDFDGM-NWDGAFQWSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575008776 950756364 /nfs/dbraw/zinc/75/63/64/950756364.db2.gz HTZDXMMLCDFDGM-RYUDHWBXSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575008776 950756343 /nfs/dbraw/zinc/75/63/43/950756343.db2.gz HTZDXMMLCDFDGM-RYUDHWBXSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575008777 950757443 /nfs/dbraw/zinc/75/74/43/950757443.db2.gz HTZDXMMLCDFDGM-VXGBXAGGSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575008777 950757431 /nfs/dbraw/zinc/75/74/31/950757431.db2.gz HTZDXMMLCDFDGM-VXGBXAGGSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575008898 950762873 /nfs/dbraw/zinc/76/28/73/950762873.db2.gz JXTVXFZQMGAJFV-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575008898 950762855 /nfs/dbraw/zinc/76/28/55/950762855.db2.gz JXTVXFZQMGAJFV-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575008899 950761445 /nfs/dbraw/zinc/76/14/45/950761445.db2.gz JXTVXFZQMGAJFV-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CNC(=O)C(C)(C)C ZINC001575008899 950761431 /nfs/dbraw/zinc/76/14/31/950761431.db2.gz JXTVXFZQMGAJFV-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001575008908 950761169 /nfs/dbraw/zinc/76/11/69/950761169.db2.gz KBFYAMAKGSLAJT-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001575008908 950761155 /nfs/dbraw/zinc/76/11/55/950761155.db2.gz KBFYAMAKGSLAJT-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575008909 950762813 /nfs/dbraw/zinc/76/28/13/950762813.db2.gz KBFYAMAKGSLAJT-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575008909 950762793 /nfs/dbraw/zinc/76/27/93/950762793.db2.gz KBFYAMAKGSLAJT-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001575008910 950760238 /nfs/dbraw/zinc/76/02/38/950760238.db2.gz KBFYAMAKGSLAJT-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@]1(C)CCC(=O)NC1 ZINC001575008910 950760221 /nfs/dbraw/zinc/76/02/21/950760221.db2.gz KBFYAMAKGSLAJT-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575008911 950759653 /nfs/dbraw/zinc/75/96/53/950759653.db2.gz KBFYAMAKGSLAJT-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@]1(C)CCC(=O)NC1 ZINC001575008911 950759641 /nfs/dbraw/zinc/75/96/41/950759641.db2.gz KBFYAMAKGSLAJT-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575008914 950765887 /nfs/dbraw/zinc/76/58/87/950765887.db2.gz KGHIGUGVJYOKGF-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575008914 950765864 /nfs/dbraw/zinc/76/58/64/950765864.db2.gz KGHIGUGVJYOKGF-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575008915 950765167 /nfs/dbraw/zinc/76/51/67/950765167.db2.gz KGHIGUGVJYOKGF-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575008915 950765147 /nfs/dbraw/zinc/76/51/47/950765147.db2.gz KGHIGUGVJYOKGF-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575008916 950765401 /nfs/dbraw/zinc/76/54/01/950765401.db2.gz KGHIGUGVJYOKGF-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575008916 950765390 /nfs/dbraw/zinc/76/53/90/950765390.db2.gz KGHIGUGVJYOKGF-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575008917 950766821 /nfs/dbraw/zinc/76/68/21/950766821.db2.gz KGHIGUGVJYOKGF-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575008917 950766808 /nfs/dbraw/zinc/76/68/08/950766808.db2.gz KGHIGUGVJYOKGF-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001575008954 950764906 /nfs/dbraw/zinc/76/49/06/950764906.db2.gz LICHDFZKHWXJIP-BDAKNGLRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001575008954 950764889 /nfs/dbraw/zinc/76/48/89/950764889.db2.gz LICHDFZKHWXJIP-BDAKNGLRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001575008955 950764697 /nfs/dbraw/zinc/76/46/97/950764697.db2.gz LICHDFZKHWXJIP-DTWKUNHWSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H](C)S(C)(=O)=O ZINC001575008955 950764676 /nfs/dbraw/zinc/76/46/76/950764676.db2.gz LICHDFZKHWXJIP-DTWKUNHWSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001575008956 950767027 /nfs/dbraw/zinc/76/70/27/950767027.db2.gz LICHDFZKHWXJIP-IUCAKERBSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H](C)S(C)(=O)=O ZINC001575008956 950767008 /nfs/dbraw/zinc/76/70/08/950767008.db2.gz LICHDFZKHWXJIP-IUCAKERBSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)S(C)(=O)=O ZINC001575008957 950764240 /nfs/dbraw/zinc/76/42/40/950764240.db2.gz LICHDFZKHWXJIP-RKDXNWHRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](C(=O)NC[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)S(C)(=O)=O ZINC001575008957 950764225 /nfs/dbraw/zinc/76/42/25/950764225.db2.gz LICHDFZKHWXJIP-RKDXNWHRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575008972 950766252 /nfs/dbraw/zinc/76/62/52/950766252.db2.gz LNCRALCJUNYBDA-GHMZBOCLSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575008972 950766240 /nfs/dbraw/zinc/76/62/40/950766240.db2.gz LNCRALCJUNYBDA-GHMZBOCLSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575008973 950763928 /nfs/dbraw/zinc/76/39/28/950763928.db2.gz LNCRALCJUNYBDA-MNOVXSKESA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575008973 950763914 /nfs/dbraw/zinc/76/39/14/950763914.db2.gz LNCRALCJUNYBDA-MNOVXSKESA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575008974 950766122 /nfs/dbraw/zinc/76/61/22/950766122.db2.gz LNCRALCJUNYBDA-QWRGUYRKSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575008974 950766098 /nfs/dbraw/zinc/76/60/98/950766098.db2.gz LNCRALCJUNYBDA-QWRGUYRKSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575008975 950764608 /nfs/dbraw/zinc/76/46/08/950764608.db2.gz LNCRALCJUNYBDA-WDEREUQCSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575008975 950764593 /nfs/dbraw/zinc/76/45/93/950764593.db2.gz LNCRALCJUNYBDA-WDEREUQCSA-N -1 3 388.432 -0.455 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575009141 950773143 /nfs/dbraw/zinc/77/31/43/950773143.db2.gz OIZWXTPYUIWPEU-GHMZBOCLSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575009141 950773131 /nfs/dbraw/zinc/77/31/31/950773131.db2.gz OIZWXTPYUIWPEU-GHMZBOCLSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575009142 950773019 /nfs/dbraw/zinc/77/30/19/950773019.db2.gz OIZWXTPYUIWPEU-MNOVXSKESA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575009142 950773001 /nfs/dbraw/zinc/77/30/01/950773001.db2.gz OIZWXTPYUIWPEU-MNOVXSKESA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575009143 950775395 /nfs/dbraw/zinc/77/53/95/950775395.db2.gz OIZWXTPYUIWPEU-QWRGUYRKSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575009143 950775380 /nfs/dbraw/zinc/77/53/80/950775380.db2.gz OIZWXTPYUIWPEU-QWRGUYRKSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575009144 950773063 /nfs/dbraw/zinc/77/30/63/950773063.db2.gz OIZWXTPYUIWPEU-WDEREUQCSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575009144 950773049 /nfs/dbraw/zinc/77/30/49/950773049.db2.gz OIZWXTPYUIWPEU-WDEREUQCSA-N -1 3 377.405 -0.423 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001575009191 950777714 /nfs/dbraw/zinc/77/77/14/950777714.db2.gz PNNMSAJJTXSXND-BDAKNGLRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001575009191 950777705 /nfs/dbraw/zinc/77/77/05/950777705.db2.gz PNNMSAJJTXSXND-BDAKNGLRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)S(C)(=O)=O ZINC001575009192 950780064 /nfs/dbraw/zinc/78/00/64/950780064.db2.gz PNNMSAJJTXSXND-DTWKUNHWSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](C(=O)N(C)[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)S(C)(=O)=O ZINC001575009192 950780056 /nfs/dbraw/zinc/78/00/56/950780056.db2.gz PNNMSAJJTXSXND-DTWKUNHWSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001575009193 950778279 /nfs/dbraw/zinc/77/82/79/950778279.db2.gz PNNMSAJJTXSXND-IUCAKERBSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001575009193 950778271 /nfs/dbraw/zinc/77/82/71/950778271.db2.gz PNNMSAJJTXSXND-IUCAKERBSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001575009194 950780089 /nfs/dbraw/zinc/78/00/89/950780089.db2.gz PNNMSAJJTXSXND-RKDXNWHRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001575009194 950780082 /nfs/dbraw/zinc/78/00/82/950780082.db2.gz PNNMSAJJTXSXND-RKDXNWHRSA-N -1 3 383.434 -0.795 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COc1cnn(C)c1 ZINC001575009213 950778541 /nfs/dbraw/zinc/77/85/41/950778541.db2.gz PVUMOEDHFBVSDY-JTQLQIEISA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COc1cnn(C)c1 ZINC001575009213 950778522 /nfs/dbraw/zinc/77/85/22/950778522.db2.gz PVUMOEDHFBVSDY-JTQLQIEISA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COc1cnn(C)c1 ZINC001575009214 950779998 /nfs/dbraw/zinc/77/99/98/950779998.db2.gz PVUMOEDHFBVSDY-SNVBAGLBSA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COc1cnn(C)c1 ZINC001575009214 950779988 /nfs/dbraw/zinc/77/99/88/950779988.db2.gz PVUMOEDHFBVSDY-SNVBAGLBSA-N -1 3 387.404 -0.416 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCCn1cncn1 ZINC001575009281 950782912 /nfs/dbraw/zinc/78/29/12/950782912.db2.gz ROPJZXHLXXVHCZ-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCCn1cncn1 ZINC001575009281 950782893 /nfs/dbraw/zinc/78/28/93/950782893.db2.gz ROPJZXHLXXVHCZ-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCCn1cncn1 ZINC001575009282 950782323 /nfs/dbraw/zinc/78/23/23/950782323.db2.gz ROPJZXHLXXVHCZ-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCCn1cncn1 ZINC001575009282 950782306 /nfs/dbraw/zinc/78/23/06/950782306.db2.gz ROPJZXHLXXVHCZ-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCCn1ccnn1 ZINC001575009319 950784333 /nfs/dbraw/zinc/78/43/33/950784333.db2.gz SYGWUJKXRGHOPC-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCCn1ccnn1 ZINC001575009319 950784316 /nfs/dbraw/zinc/78/43/16/950784316.db2.gz SYGWUJKXRGHOPC-LLVKDONJSA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCCn1ccnn1 ZINC001575009320 950782621 /nfs/dbraw/zinc/78/26/21/950782621.db2.gz SYGWUJKXRGHOPC-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCCn1ccnn1 ZINC001575009320 950782601 /nfs/dbraw/zinc/78/26/01/950782601.db2.gz SYGWUJKXRGHOPC-NSHDSACASA-N -1 3 386.420 -0.157 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575009329 950790254 /nfs/dbraw/zinc/79/02/54/950790254.db2.gz UCGYDKNEIVAVDH-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575009329 950790237 /nfs/dbraw/zinc/79/02/37/950790237.db2.gz UCGYDKNEIVAVDH-BMLIUANNSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575009330 950787891 /nfs/dbraw/zinc/78/78/91/950787891.db2.gz UCGYDKNEIVAVDH-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575009330 950787876 /nfs/dbraw/zinc/78/78/76/950787876.db2.gz UCGYDKNEIVAVDH-BTDLBPIBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575009331 950789527 /nfs/dbraw/zinc/78/95/27/950789527.db2.gz UCGYDKNEIVAVDH-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575009331 950789515 /nfs/dbraw/zinc/78/95/15/950789515.db2.gz UCGYDKNEIVAVDH-DYZYQPBXSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575009332 950789248 /nfs/dbraw/zinc/78/92/48/950789248.db2.gz UCGYDKNEIVAVDH-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575009332 950789231 /nfs/dbraw/zinc/78/92/31/950789231.db2.gz UCGYDKNEIVAVDH-QGHHPUGFSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H]1CCC(=O)N1C ZINC001575009588 950789673 /nfs/dbraw/zinc/78/96/73/950789673.db2.gz VFNINESNJBRYCR-GHMZBOCLSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H]1CCC(=O)N1C ZINC001575009588 950789656 /nfs/dbraw/zinc/78/96/56/950789656.db2.gz VFNINESNJBRYCR-GHMZBOCLSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)N1C ZINC001575009589 950789471 /nfs/dbraw/zinc/78/94/71/950789471.db2.gz VFNINESNJBRYCR-MNOVXSKESA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)N1C ZINC001575009589 950789455 /nfs/dbraw/zinc/78/94/55/950789455.db2.gz VFNINESNJBRYCR-MNOVXSKESA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)N1C ZINC001575009590 950786802 /nfs/dbraw/zinc/78/68/02/950786802.db2.gz VFNINESNJBRYCR-QWRGUYRKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)N1C ZINC001575009590 950786784 /nfs/dbraw/zinc/78/67/84/950786784.db2.gz VFNINESNJBRYCR-QWRGUYRKSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H]1CCC(=O)N1C ZINC001575009591 950789408 /nfs/dbraw/zinc/78/94/08/950789408.db2.gz VFNINESNJBRYCR-WDEREUQCSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H]1CCC(=O)N1C ZINC001575009591 950789391 /nfs/dbraw/zinc/78/93/91/950789391.db2.gz VFNINESNJBRYCR-WDEREUQCSA-N -1 3 388.432 -0.218 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575009598 950791825 /nfs/dbraw/zinc/79/18/25/950791825.db2.gz VHHNJLDAWBCHQL-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575009598 950791804 /nfs/dbraw/zinc/79/18/04/950791804.db2.gz VHHNJLDAWBCHQL-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575009599 950794926 /nfs/dbraw/zinc/79/49/26/950794926.db2.gz VHHNJLDAWBCHQL-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575009599 950794909 /nfs/dbraw/zinc/79/49/09/950794909.db2.gz VHHNJLDAWBCHQL-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575009600 950792064 /nfs/dbraw/zinc/79/20/64/950792064.db2.gz VHHNJLDAWBCHQL-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575009600 950792038 /nfs/dbraw/zinc/79/20/38/950792038.db2.gz VHHNJLDAWBCHQL-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575009601 950793082 /nfs/dbraw/zinc/79/30/82/950793082.db2.gz VHHNJLDAWBCHQL-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575009601 950793070 /nfs/dbraw/zinc/79/30/70/950793070.db2.gz VHHNJLDAWBCHQL-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COC1CCOCC1 ZINC001575009608 950795421 /nfs/dbraw/zinc/79/54/21/950795421.db2.gz VNIXGQWSLOTBSR-LLVKDONJSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COC1CCOCC1 ZINC001575009608 950795407 /nfs/dbraw/zinc/79/54/07/950795407.db2.gz VNIXGQWSLOTBSR-LLVKDONJSA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)COC1CCOCC1 ZINC001575009609 950792403 /nfs/dbraw/zinc/79/24/03/950792403.db2.gz VNIXGQWSLOTBSR-NSHDSACASA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)COC1CCOCC1 ZINC001575009609 950792388 /nfs/dbraw/zinc/79/23/88/950792388.db2.gz VNIXGQWSLOTBSR-NSHDSACASA-N -1 3 391.432 -0.033 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cn(C)c(=O)n1C ZINC001575009620 950792729 /nfs/dbraw/zinc/79/27/29/950792729.db2.gz VQWYFRNBMXQAFU-SECBINFHSA-N -1 3 387.404 -0.972 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cn(C)c(=O)n1C ZINC001575009620 950792712 /nfs/dbraw/zinc/79/27/12/950792712.db2.gz VQWYFRNBMXQAFU-SECBINFHSA-N -1 3 387.404 -0.972 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cn(C)c(=O)n1C ZINC001575009621 950792176 /nfs/dbraw/zinc/79/21/76/950792176.db2.gz VQWYFRNBMXQAFU-VIFPVBQESA-N -1 3 387.404 -0.972 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cn(C)c(=O)n1C ZINC001575009621 950792159 /nfs/dbraw/zinc/79/21/59/950792159.db2.gz VQWYFRNBMXQAFU-VIFPVBQESA-N -1 3 387.404 -0.972 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575009790 950798422 /nfs/dbraw/zinc/79/84/22/950798422.db2.gz WVJHJWBNUZFUTD-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575009790 950798409 /nfs/dbraw/zinc/79/84/09/950798409.db2.gz WVJHJWBNUZFUTD-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575009791 950796838 /nfs/dbraw/zinc/79/68/38/950796838.db2.gz WVJHJWBNUZFUTD-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575009791 950796827 /nfs/dbraw/zinc/79/68/27/950796827.db2.gz WVJHJWBNUZFUTD-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H](C)N1CCOCC1 ZINC001575009848 950799027 /nfs/dbraw/zinc/79/90/27/950799027.db2.gz XPBLYODMSSNQJJ-NEPJUHHUSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H](C)N1CCOCC1 ZINC001575009848 950799021 /nfs/dbraw/zinc/79/90/21/950799021.db2.gz XPBLYODMSSNQJJ-NEPJUHHUSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H](C)N1CCOCC1 ZINC001575009849 950799652 /nfs/dbraw/zinc/79/96/52/950799652.db2.gz XPBLYODMSSNQJJ-RYUDHWBXSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)[C@H](C)N1CCOCC1 ZINC001575009849 950799630 /nfs/dbraw/zinc/79/96/30/950799630.db2.gz XPBLYODMSSNQJJ-RYUDHWBXSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cccn(C)c1=O ZINC001575009852 950798822 /nfs/dbraw/zinc/79/88/22/950798822.db2.gz XQYKLHSGDGPYSV-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cccn(C)c1=O ZINC001575009852 950798813 /nfs/dbraw/zinc/79/88/13/950798813.db2.gz XQYKLHSGDGPYSV-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cccn(C)c1=O ZINC001575009853 950797781 /nfs/dbraw/zinc/79/77/81/950797781.db2.gz XQYKLHSGDGPYSV-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cccn(C)c1=O ZINC001575009853 950797761 /nfs/dbraw/zinc/79/77/61/950797761.db2.gz XQYKLHSGDGPYSV-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1cnn(C)n1 ZINC001575009858 950801306 /nfs/dbraw/zinc/80/13/06/950801306.db2.gz XVBYJXATBFCCRV-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1cnn(C)n1 ZINC001575009858 950801282 /nfs/dbraw/zinc/80/12/82/950801282.db2.gz XVBYJXATBFCCRV-JTQLQIEISA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCc1cnn(C)n1 ZINC001575009859 950803406 /nfs/dbraw/zinc/80/34/06/950803406.db2.gz XVBYJXATBFCCRV-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CCc1cnn(C)n1 ZINC001575009859 950803385 /nfs/dbraw/zinc/80/33/85/950803385.db2.gz XVBYJXATBFCCRV-SNVBAGLBSA-N -1 3 386.420 -0.467 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CN1CCCCC1=O ZINC001575009862 950802108 /nfs/dbraw/zinc/80/21/08/950802108.db2.gz XYCKEBXNPJDCIW-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CN1CCCCC1=O ZINC001575009862 950802089 /nfs/dbraw/zinc/80/20/89/950802089.db2.gz XYCKEBXNPJDCIW-LLVKDONJSA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CN1CCCCC1=O ZINC001575009863 950803558 /nfs/dbraw/zinc/80/35/58/950803558.db2.gz XYCKEBXNPJDCIW-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)CN1CCCCC1=O ZINC001575009863 950803539 /nfs/dbraw/zinc/80/35/39/950803539.db2.gz XYCKEBXNPJDCIW-NSHDSACASA-N -1 3 388.432 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001575009904 950803754 /nfs/dbraw/zinc/80/37/54/950803754.db2.gz YORYLWKTKJNIRJ-GWCFXTLKSA-N -1 3 376.421 -0.993 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1CN(C)CCO1 ZINC001575009905 950801239 /nfs/dbraw/zinc/80/12/39/950801239.db2.gz YORYLWKTKJNIRJ-GXFFZTMASA-N -1 3 376.421 -0.993 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001575009906 950802350 /nfs/dbraw/zinc/80/23/50/950802350.db2.gz YORYLWKTKJNIRJ-MFKMUULPSA-N -1 3 376.421 -0.993 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)[C@H]1CN(C)CCO1 ZINC001575009907 950803248 /nfs/dbraw/zinc/80/32/48/950803248.db2.gz YORYLWKTKJNIRJ-ZWNOBZJWSA-N -1 3 376.421 -0.993 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575009956 950805499 /nfs/dbraw/zinc/80/54/99/950805499.db2.gz ZHJBMVYLGKINMS-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575009956 950805494 /nfs/dbraw/zinc/80/54/94/950805494.db2.gz ZHJBMVYLGKINMS-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575009957 950809396 /nfs/dbraw/zinc/80/93/96/950809396.db2.gz ZHJBMVYLGKINMS-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575009957 950809378 /nfs/dbraw/zinc/80/93/78/950809378.db2.gz ZHJBMVYLGKINMS-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575009959 950805379 /nfs/dbraw/zinc/80/53/79/950805379.db2.gz ZHJBMVYLGKINMS-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575009959 950805351 /nfs/dbraw/zinc/80/53/51/950805351.db2.gz ZHJBMVYLGKINMS-QWRGUYRKSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575009961 950808198 /nfs/dbraw/zinc/80/81/98/950808198.db2.gz ZHJBMVYLGKINMS-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575009961 950808178 /nfs/dbraw/zinc/80/81/78/950808178.db2.gz ZHJBMVYLGKINMS-WDEREUQCSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575010068 950810164 /nfs/dbraw/zinc/81/01/64/950810164.db2.gz ZOWMVPMSBAAQRO-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575010068 950810149 /nfs/dbraw/zinc/81/01/49/950810149.db2.gz ZOWMVPMSBAAQRO-GHMZBOCLSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575010069 950807576 /nfs/dbraw/zinc/80/75/76/950807576.db2.gz ZOWMVPMSBAAQRO-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575010069 950807560 /nfs/dbraw/zinc/80/75/60/950807560.db2.gz ZOWMVPMSBAAQRO-MNOVXSKESA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575010070 950807033 /nfs/dbraw/zinc/80/70/33/950807033.db2.gz ZOWMVPMSBAAQRO-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575010070 950807009 /nfs/dbraw/zinc/80/70/09/950807009.db2.gz ZOWMVPMSBAAQRO-QWRGUYRKSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575010071 950808979 /nfs/dbraw/zinc/80/89/79/950808979.db2.gz ZOWMVPMSBAAQRO-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575010071 950808955 /nfs/dbraw/zinc/80/89/55/950808955.db2.gz ZOWMVPMSBAAQRO-WDEREUQCSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCN1CCOCC1 ZINC001575010076 950809183 /nfs/dbraw/zinc/80/91/83/950809183.db2.gz ZSDCJWBHPTUGJJ-GFCCVEGCSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)CCN1CCOCC1 ZINC001575010077 950808856 /nfs/dbraw/zinc/80/88/56/950808856.db2.gz ZSDCJWBHPTUGJJ-LBPRGKRZSA-N -1 3 390.448 -0.506 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575010084 950805896 /nfs/dbraw/zinc/80/58/96/950805896.db2.gz ZXVBOEWPICSVLV-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575010084 950805882 /nfs/dbraw/zinc/80/58/82/950805882.db2.gz ZXVBOEWPICSVLV-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575010085 950808058 /nfs/dbraw/zinc/80/80/58/950808058.db2.gz ZXVBOEWPICSVLV-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575010085 950808039 /nfs/dbraw/zinc/80/80/39/950808039.db2.gz ZXVBOEWPICSVLV-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575010086 950809572 /nfs/dbraw/zinc/80/95/72/950809572.db2.gz ZXVBOEWPICSVLV-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575010086 950809547 /nfs/dbraw/zinc/80/95/47/950809547.db2.gz ZXVBOEWPICSVLV-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575010087 950807520 /nfs/dbraw/zinc/80/75/20/950807520.db2.gz ZXVBOEWPICSVLV-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575010087 950807502 /nfs/dbraw/zinc/80/75/02/950807502.db2.gz ZXVBOEWPICSVLV-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)NC(=O)C1CCC1 ZINC001575010096 950809981 /nfs/dbraw/zinc/80/99/81/950809981.db2.gz ACPGOEZEJJBWGF-NXEZZACHSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)NC(=O)C1CCC1 ZINC001575010096 950809963 /nfs/dbraw/zinc/80/99/63/950809963.db2.gz ACPGOEZEJJBWGF-NXEZZACHSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)NC(=O)C1CCC1 ZINC001575010097 950806254 /nfs/dbraw/zinc/80/62/54/950806254.db2.gz ACPGOEZEJJBWGF-UWVGGRQHSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)NC(=O)C1CCC1 ZINC001575010097 950806237 /nfs/dbraw/zinc/80/62/37/950806237.db2.gz ACPGOEZEJJBWGF-UWVGGRQHSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575010098 950808445 /nfs/dbraw/zinc/80/84/45/950808445.db2.gz ACPGOEZEJJBWGF-VHSXEESVSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](NC(=O)C1CCC1)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575010098 950808427 /nfs/dbraw/zinc/80/84/27/950808427.db2.gz ACPGOEZEJJBWGF-VHSXEESVSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)NC(=O)C1CCC1 ZINC001575010099 950808723 /nfs/dbraw/zinc/80/87/23/950808723.db2.gz ACPGOEZEJJBWGF-ZJUUUORDSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)NC(=O)C1CCC1 ZINC001575010099 950808703 /nfs/dbraw/zinc/80/87/03/950808703.db2.gz ACPGOEZEJJBWGF-ZJUUUORDSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575010110 950806508 /nfs/dbraw/zinc/80/65/08/950806508.db2.gz ANAJNFMDJNGAGC-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575010110 950806487 /nfs/dbraw/zinc/80/64/87/950806487.db2.gz ANAJNFMDJNGAGC-AXFHLTTASA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575010111 950807854 /nfs/dbraw/zinc/80/78/54/950807854.db2.gz ANAJNFMDJNGAGC-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575010111 950807832 /nfs/dbraw/zinc/80/78/32/950807832.db2.gz ANAJNFMDJNGAGC-MXWKQRLJSA-N -1 3 388.432 -0.327 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCOCC1 ZINC001575010120 950812230 /nfs/dbraw/zinc/81/22/30/950812230.db2.gz AWCJCKMJXBVIHP-LLVKDONJSA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)N1CCOCC1 ZINC001575010121 950815560 /nfs/dbraw/zinc/81/55/60/950815560.db2.gz AWCJCKMJXBVIHP-NSHDSACASA-N -1 3 376.421 -0.896 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NCC(F)(F)F ZINC001575010595 950825544 /nfs/dbraw/zinc/82/55/44/950825544.db2.gz GDPVBEPZBDGVAK-MRVPVSSYSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NCC(F)(F)F ZINC001575010596 950824026 /nfs/dbraw/zinc/82/40/26/950824026.db2.gz GDPVBEPZBDGVAK-QMMMGPOBSA-N -1 3 388.354 -0.077 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H](C)N1CCOCC1 ZINC001575010605 950822380 /nfs/dbraw/zinc/82/23/80/950822380.db2.gz GIDNOXVNMHVAKQ-NEPJUHHUSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H](C)N1CCOCC1 ZINC001575010605 950822355 /nfs/dbraw/zinc/82/23/55/950822355.db2.gz GIDNOXVNMHVAKQ-NEPJUHHUSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H](C)N1CCOCC1 ZINC001575010606 950823209 /nfs/dbraw/zinc/82/32/09/950823209.db2.gz GIDNOXVNMHVAKQ-RYUDHWBXSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H](C)N1CCOCC1 ZINC001575010606 950823176 /nfs/dbraw/zinc/82/31/76/950823176.db2.gz GIDNOXVNMHVAKQ-RYUDHWBXSA-N -1 3 390.448 -0.508 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)N1CCCCC1=O ZINC001575010793 950829162 /nfs/dbraw/zinc/82/91/62/950829162.db2.gz IXWOXBUZSGQSJI-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)N1CCCCC1=O ZINC001575010793 950829141 /nfs/dbraw/zinc/82/91/41/950829141.db2.gz IXWOXBUZSGQSJI-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)N1CCCCC1=O ZINC001575010794 950830539 /nfs/dbraw/zinc/83/05/39/950830539.db2.gz IXWOXBUZSGQSJI-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)N1CCCCC1=O ZINC001575010794 950830522 /nfs/dbraw/zinc/83/05/22/950830522.db2.gz IXWOXBUZSGQSJI-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)N1CCCCC1=O ZINC001575010795 950832835 /nfs/dbraw/zinc/83/28/35/950832835.db2.gz IXWOXBUZSGQSJI-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)N1CCCCC1=O ZINC001575010795 950832809 /nfs/dbraw/zinc/83/28/09/950832809.db2.gz IXWOXBUZSGQSJI-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N1CCCCC1=O ZINC001575010796 950832109 /nfs/dbraw/zinc/83/21/09/950832109.db2.gz IXWOXBUZSGQSJI-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N1CCCCC1=O ZINC001575010796 950832087 /nfs/dbraw/zinc/83/20/87/950832087.db2.gz IXWOXBUZSGQSJI-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575010827 950839214 /nfs/dbraw/zinc/83/92/14/950839214.db2.gz JIXVOFPDANUUBN-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575010827 950839194 /nfs/dbraw/zinc/83/91/94/950839194.db2.gz JIXVOFPDANUUBN-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575010828 950836443 /nfs/dbraw/zinc/83/64/43/950836443.db2.gz JIXVOFPDANUUBN-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575010828 950836418 /nfs/dbraw/zinc/83/64/18/950836418.db2.gz JIXVOFPDANUUBN-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575010829 950839755 /nfs/dbraw/zinc/83/97/55/950839755.db2.gz JKZINXGABYDZAP-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575010829 950839731 /nfs/dbraw/zinc/83/97/31/950839731.db2.gz JKZINXGABYDZAP-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575010830 950836062 /nfs/dbraw/zinc/83/60/62/950836062.db2.gz JKZINXGABYDZAP-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575010830 950836038 /nfs/dbraw/zinc/83/60/38/950836038.db2.gz JKZINXGABYDZAP-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC[C@@H]1CCOC1 ZINC001575010857 950838599 /nfs/dbraw/zinc/83/85/99/950838599.db2.gz KFQAOSOFCBEMCS-NEPJUHHUSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC[C@H]1CCOC1 ZINC001575010858 950836365 /nfs/dbraw/zinc/83/63/65/950836365.db2.gz KFQAOSOFCBEMCS-NWDGAFQWSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC[C@@H]1CCOC1 ZINC001575010859 950838216 /nfs/dbraw/zinc/83/82/16/950838216.db2.gz KFQAOSOFCBEMCS-RYUDHWBXSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC[C@H]1CCOC1 ZINC001575010860 950840140 /nfs/dbraw/zinc/84/01/40/950840140.db2.gz KFQAOSOFCBEMCS-VXGBXAGGSA-N -1 3 390.448 -0.602 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)N1CCOCC1 ZINC001575011029 950844058 /nfs/dbraw/zinc/84/40/58/950844058.db2.gz LWAGZINKKXINFI-LLVKDONJSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C(C)(C)N1CCOCC1 ZINC001575011029 950844032 /nfs/dbraw/zinc/84/40/32/950844032.db2.gz LWAGZINKKXINFI-LLVKDONJSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)N1CCOCC1 ZINC001575011030 950841202 /nfs/dbraw/zinc/84/12/02/950841202.db2.gz LWAGZINKKXINFI-NSHDSACASA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C(C)(C)N1CCOCC1 ZINC001575011030 950841177 /nfs/dbraw/zinc/84/11/77/950841177.db2.gz LWAGZINKKXINFI-NSHDSACASA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575011053 950844302 /nfs/dbraw/zinc/84/43/02/950844302.db2.gz MGILJCYAZSLIDK-MRVPVSSYSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575011053 950844277 /nfs/dbraw/zinc/84/42/77/950844277.db2.gz MGILJCYAZSLIDK-MRVPVSSYSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575011054 950844831 /nfs/dbraw/zinc/84/48/31/950844831.db2.gz MGILJCYAZSLIDK-QMMMGPOBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C(C)(C)S(C)(=O)=O ZINC001575011054 950844804 /nfs/dbraw/zinc/84/48/04/950844804.db2.gz MGILJCYAZSLIDK-QMMMGPOBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001575011152 950847247 /nfs/dbraw/zinc/84/72/47/950847247.db2.gz NCNJEQVEGOLRMB-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001575011152 950847231 /nfs/dbraw/zinc/84/72/31/950847231.db2.gz NCNJEQVEGOLRMB-SECBINFHSA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001575011153 950849774 /nfs/dbraw/zinc/84/97/74/950849774.db2.gz NCNJEQVEGOLRMB-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001575011153 950849751 /nfs/dbraw/zinc/84/97/51/950849751.db2.gz NCNJEQVEGOLRMB-VIFPVBQESA-N -1 3 385.388 -0.326 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cccc(=O)n1C ZINC001575011173 950847647 /nfs/dbraw/zinc/84/76/47/950847647.db2.gz NMBBGVKOBGWWKW-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cccc(=O)n1C ZINC001575011173 950847626 /nfs/dbraw/zinc/84/76/26/950847626.db2.gz NMBBGVKOBGWWKW-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cccc(=O)n1C ZINC001575011175 950850524 /nfs/dbraw/zinc/85/05/24/950850524.db2.gz NMBBGVKOBGWWKW-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cccc(=O)n1C ZINC001575011175 950850502 /nfs/dbraw/zinc/85/05/02/950850502.db2.gz NMBBGVKOBGWWKW-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575011227 950850765 /nfs/dbraw/zinc/85/07/65/950850765.db2.gz OAIAGRXAMBOSOU-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575011227 950850736 /nfs/dbraw/zinc/85/07/36/950850736.db2.gz OAIAGRXAMBOSOU-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575011229 950851910 /nfs/dbraw/zinc/85/19/10/950851910.db2.gz OAIAGRXAMBOSOU-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575011229 950851890 /nfs/dbraw/zinc/85/18/90/950851890.db2.gz OAIAGRXAMBOSOU-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC(=O)NC1CC1 ZINC001575011438 950857490 /nfs/dbraw/zinc/85/74/90/950857490.db2.gz QECVVDPBSFKMOJ-SECBINFHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC(=O)NC1CC1 ZINC001575011440 950854786 /nfs/dbraw/zinc/85/47/86/950854786.db2.gz QECVVDPBSFKMOJ-VIFPVBQESA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575011531 950861547 /nfs/dbraw/zinc/86/15/47/950861547.db2.gz QTIMZKMCLSUCRO-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575011531 950861532 /nfs/dbraw/zinc/86/15/32/950861532.db2.gz QTIMZKMCLSUCRO-CABZTGNLSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575011533 950862202 /nfs/dbraw/zinc/86/22/02/950862202.db2.gz QTIMZKMCLSUCRO-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575011533 950862187 /nfs/dbraw/zinc/86/21/87/950862187.db2.gz QTIMZKMCLSUCRO-SKDRFNHKSA-N -1 3 389.420 -0.685 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CCN(C)S(C)(=O)=O ZINC001575011745 950865222 /nfs/dbraw/zinc/86/52/22/950865222.db2.gz RYLQTXBAIDQERC-JTQLQIEISA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CCN(C)S(C)(=O)=O ZINC001575011746 950864104 /nfs/dbraw/zinc/86/41/04/950864104.db2.gz RYLQTXBAIDQERC-SNVBAGLBSA-N -1 3 384.466 -0.864 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC001575011753 950865591 /nfs/dbraw/zinc/86/55/91/950865591.db2.gz SBKCOZFUXKSNEU-GHMZBOCLSA-N -1 3 381.462 -0.320 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC001575011755 950867936 /nfs/dbraw/zinc/86/79/36/950867936.db2.gz SBKCOZFUXKSNEU-MNOVXSKESA-N -1 3 381.462 -0.320 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC001575011757 950865484 /nfs/dbraw/zinc/86/54/84/950865484.db2.gz SBKCOZFUXKSNEU-QWRGUYRKSA-N -1 3 381.462 -0.320 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC001575011758 950866968 /nfs/dbraw/zinc/86/69/68/950866968.db2.gz SBKCOZFUXKSNEU-WDEREUQCSA-N -1 3 381.462 -0.320 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575011761 950865098 /nfs/dbraw/zinc/86/50/98/950865098.db2.gz SCXGUFSOZOXIDC-BDAKNGLRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575011761 950865081 /nfs/dbraw/zinc/86/50/81/950865081.db2.gz SCXGUFSOZOXIDC-BDAKNGLRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001575011763 950868717 /nfs/dbraw/zinc/86/87/17/950868717.db2.gz SCXGUFSOZOXIDC-DTWKUNHWSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001575011763 950868700 /nfs/dbraw/zinc/86/87/00/950868700.db2.gz SCXGUFSOZOXIDC-DTWKUNHWSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575011766 950865289 /nfs/dbraw/zinc/86/52/89/950865289.db2.gz SCXGUFSOZOXIDC-IUCAKERBSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575011766 950865267 /nfs/dbraw/zinc/86/52/67/950865267.db2.gz SCXGUFSOZOXIDC-IUCAKERBSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575011767 950868781 /nfs/dbraw/zinc/86/87/81/950868781.db2.gz SCXGUFSOZOXIDC-RKDXNWHRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575011767 950868762 /nfs/dbraw/zinc/86/87/62/950868762.db2.gz SCXGUFSOZOXIDC-RKDXNWHRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC1CCOCC1 ZINC001575011773 950868363 /nfs/dbraw/zinc/86/83/63/950868363.db2.gz SETCHHMIJVBZFN-LLVKDONJSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC1CCOCC1 ZINC001575011775 950869479 /nfs/dbraw/zinc/86/94/79/950869479.db2.gz SETCHHMIJVBZFN-NSHDSACASA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC[C@@H]1CCCO1 ZINC001575011927 950872882 /nfs/dbraw/zinc/87/28/82/950872882.db2.gz UDNYIISPXUIRPH-NEPJUHHUSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC[C@H]1CCCO1 ZINC001575011929 950872025 /nfs/dbraw/zinc/87/20/25/950872025.db2.gz UDNYIISPXUIRPH-NWDGAFQWSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC[C@@H]1CCCO1 ZINC001575011931 950873724 /nfs/dbraw/zinc/87/37/24/950873724.db2.gz UDNYIISPXUIRPH-RYUDHWBXSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)NC[C@H]1CCCO1 ZINC001575011933 950870785 /nfs/dbraw/zinc/87/07/85/950870785.db2.gz UDNYIISPXUIRPH-VXGBXAGGSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575011982 950871927 /nfs/dbraw/zinc/87/19/27/950871927.db2.gz VDQANZVWMNOHCR-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575011982 950871916 /nfs/dbraw/zinc/87/19/16/950871916.db2.gz VDQANZVWMNOHCR-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575011983 950873455 /nfs/dbraw/zinc/87/34/55/950873455.db2.gz VDQANZVWMNOHCR-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575011983 950873432 /nfs/dbraw/zinc/87/34/32/950873432.db2.gz VDQANZVWMNOHCR-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)Nc1nncs1 ZINC001575012079 950879485 /nfs/dbraw/zinc/87/94/85/950879485.db2.gz VYDXGFAMPUKRGG-MRVPVSSYSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)CC(=O)Nc1nncs1 ZINC001575012079 950879465 /nfs/dbraw/zinc/87/94/65/950879465.db2.gz VYDXGFAMPUKRGG-MRVPVSSYSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)Nc1nncs1 ZINC001575012080 950878094 /nfs/dbraw/zinc/87/80/94/950878094.db2.gz VYDXGFAMPUKRGG-QMMMGPOBSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)CC(=O)Nc1nncs1 ZINC001575012080 950878073 /nfs/dbraw/zinc/87/80/73/950878073.db2.gz VYDXGFAMPUKRGG-QMMMGPOBSA-N -1 3 390.433 -0.265 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)Nc1cnccn1 ZINC001575012125 950877461 /nfs/dbraw/zinc/87/74/61/950877461.db2.gz WZDUPLWXXIYUAG-JTQLQIEISA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)CC(=O)Nc1cnccn1 ZINC001575012125 950877443 /nfs/dbraw/zinc/87/74/43/950877443.db2.gz WZDUPLWXXIYUAG-JTQLQIEISA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)CC(=O)Nc1cnccn1 ZINC001575012126 950878184 /nfs/dbraw/zinc/87/81/84/950878184.db2.gz WZDUPLWXXIYUAG-SNVBAGLBSA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)CC(=O)Nc1cnccn1 ZINC001575012126 950878170 /nfs/dbraw/zinc/87/81/70/950878170.db2.gz WZDUPLWXXIYUAG-SNVBAGLBSA-N -1 3 384.404 -0.326 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H]1OCCO[C@H]1C ZINC001575012139 950879394 /nfs/dbraw/zinc/87/93/94/950879394.db2.gz XGHSIXRRMAZKKU-KWBADKCTSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H]1OCCO[C@H]1C ZINC001575012139 950879383 /nfs/dbraw/zinc/87/93/83/950879383.db2.gz XGHSIXRRMAZKKU-KWBADKCTSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)[C@H]1OCCO[C@H]1C ZINC001575012141 950876431 /nfs/dbraw/zinc/87/64/31/950876431.db2.gz XGHSIXRRMAZKKU-NRUUGDAUSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)[C@H]1OCCO[C@H]1C ZINC001575012141 950876420 /nfs/dbraw/zinc/87/64/20/950876420.db2.gz XGHSIXRRMAZKKU-NRUUGDAUSA-N -1 3 377.405 -0.425 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)Cn1ccccc1=O ZINC001575012271 950884800 /nfs/dbraw/zinc/88/48/00/950884800.db2.gz XTZGGXHMCPCLTC-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)Cn1ccccc1=O ZINC001575012271 950884778 /nfs/dbraw/zinc/88/47/78/950884778.db2.gz XTZGGXHMCPCLTC-LLVKDONJSA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)Cn1ccccc1=O ZINC001575012272 950882074 /nfs/dbraw/zinc/88/20/74/950882074.db2.gz XTZGGXHMCPCLTC-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)Cn1ccccc1=O ZINC001575012272 950882059 /nfs/dbraw/zinc/88/20/59/950882059.db2.gz XTZGGXHMCPCLTC-NSHDSACASA-N -1 3 384.400 -0.367 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nnc2n1CCOC2 ZINC001575012403 950887715 /nfs/dbraw/zinc/88/77/15/950887715.db2.gz ZNPCGUGHCGVENG-JTQLQIEISA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nnc2n1CCOC2 ZINC001575012403 950887697 /nfs/dbraw/zinc/88/76/97/950887697.db2.gz ZNPCGUGHCGVENG-JTQLQIEISA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)Cc1nnc2n1CCOC2 ZINC001575012405 950890582 /nfs/dbraw/zinc/89/05/82/950890582.db2.gz ZNPCGUGHCGVENG-SNVBAGLBSA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)Cc1nnc2n1CCOC2 ZINC001575012405 950890560 /nfs/dbraw/zinc/89/05/60/950890560.db2.gz ZNPCGUGHCGVENG-SNVBAGLBSA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cn(C)c(=O)cn1 ZINC001575012563 950889126 /nfs/dbraw/zinc/88/91/26/950889126.db2.gz ZSURWIBFVTYGJW-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cn(C)c(=O)cn1 ZINC001575012563 950889103 /nfs/dbraw/zinc/88/91/03/950889103.db2.gz ZSURWIBFVTYGJW-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N(C)C(=O)c1cn(C)c(=O)cn1 ZINC001575012565 950890227 /nfs/dbraw/zinc/89/02/27/950890227.db2.gz ZSURWIBFVTYGJW-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N(C)C(=O)c1cn(C)c(=O)cn1 ZINC001575012565 950890213 /nfs/dbraw/zinc/89/02/13/950890213.db2.gz ZSURWIBFVTYGJW-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575013601 950891239 /nfs/dbraw/zinc/89/12/39/950891239.db2.gz ARFSRMLTHPGVDP-GMTAPVOTSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575013601 950891222 /nfs/dbraw/zinc/89/12/22/950891222.db2.gz ARFSRMLTHPGVDP-GMTAPVOTSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575013603 950887489 /nfs/dbraw/zinc/88/74/89/950887489.db2.gz ARFSRMLTHPGVDP-HBNTYKKESA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575013603 950887471 /nfs/dbraw/zinc/88/74/71/950887471.db2.gz ARFSRMLTHPGVDP-HBNTYKKESA-N -1 3 383.416 -0.034 20 0 GBADHM CC(C)N1C[C@H](C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1=O ZINC001575013625 950892766 /nfs/dbraw/zinc/89/27/66/950892766.db2.gz AXSPGWGFJPDJEZ-GHMZBOCLSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@H](C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1=O ZINC001575013625 950892750 /nfs/dbraw/zinc/89/27/50/950892750.db2.gz AXSPGWGFJPDJEZ-GHMZBOCLSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@@H](C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1=O ZINC001575013626 950896046 /nfs/dbraw/zinc/89/60/46/950896046.db2.gz AXSPGWGFJPDJEZ-MNOVXSKESA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@@H](C(=O)N[C@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1=O ZINC001575013626 950896029 /nfs/dbraw/zinc/89/60/29/950896029.db2.gz AXSPGWGFJPDJEZ-MNOVXSKESA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@@H](C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1=O ZINC001575013627 950893884 /nfs/dbraw/zinc/89/38/84/950893884.db2.gz AXSPGWGFJPDJEZ-QWRGUYRKSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@@H](C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1=O ZINC001575013627 950893864 /nfs/dbraw/zinc/89/38/64/950893864.db2.gz AXSPGWGFJPDJEZ-QWRGUYRKSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@H](C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1=O ZINC001575013628 950892575 /nfs/dbraw/zinc/89/25/75/950892575.db2.gz AXSPGWGFJPDJEZ-WDEREUQCSA-N -1 3 388.432 -0.314 20 0 GBADHM CC(C)N1C[C@H](C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1=O ZINC001575013628 950892562 /nfs/dbraw/zinc/89/25/62/950892562.db2.gz AXSPGWGFJPDJEZ-WDEREUQCSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1c2c(nn1C)CCC2 ZINC001575013653 950895462 /nfs/dbraw/zinc/89/54/62/950895462.db2.gz BPVYPVUJVGKXDV-SECBINFHSA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1c2c(nn1C)CCC2 ZINC001575013653 950895441 /nfs/dbraw/zinc/89/54/41/950895441.db2.gz BPVYPVUJVGKXDV-SECBINFHSA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1c2c(nn1C)CCC2 ZINC001575013654 950895996 /nfs/dbraw/zinc/89/59/96/950895996.db2.gz BPVYPVUJVGKXDV-VIFPVBQESA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1c2c(nn1C)CCC2 ZINC001575013654 950895981 /nfs/dbraw/zinc/89/59/81/950895981.db2.gz BPVYPVUJVGKXDV-VIFPVBQESA-N -1 3 383.416 -0.035 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCn1cnccc1=O ZINC001575013667 950894262 /nfs/dbraw/zinc/89/42/62/950894262.db2.gz BZHDMVVLXADYDL-JTQLQIEISA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCn1cnccc1=O ZINC001575013667 950894242 /nfs/dbraw/zinc/89/42/42/950894242.db2.gz BZHDMVVLXADYDL-JTQLQIEISA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCn1cnccc1=O ZINC001575013668 950893600 /nfs/dbraw/zinc/89/36/00/950893600.db2.gz BZHDMVVLXADYDL-SNVBAGLBSA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCn1cnccc1=O ZINC001575013668 950893575 /nfs/dbraw/zinc/89/35/75/950893575.db2.gz BZHDMVVLXADYDL-SNVBAGLBSA-N -1 3 385.388 -0.924 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCc1ccnn1C ZINC001575014169 950897661 /nfs/dbraw/zinc/89/76/61/950897661.db2.gz FJNBYNVBWKYFFH-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCc1ccnn1C ZINC001575014169 950897635 /nfs/dbraw/zinc/89/76/35/950897635.db2.gz FJNBYNVBWKYFFH-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCc1ccnn1C ZINC001575014170 950899814 /nfs/dbraw/zinc/89/98/14/950899814.db2.gz FJNBYNVBWKYFFH-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCc1ccnn1C ZINC001575014170 950899803 /nfs/dbraw/zinc/89/98/03/950899803.db2.gz FJNBYNVBWKYFFH-SNVBAGLBSA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575014175 950906695 /nfs/dbraw/zinc/90/66/95/950906695.db2.gz FLMHYZWXMUGNED-NXEZZACHSA-N -1 3 383.416 -0.043 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575014176 950905495 /nfs/dbraw/zinc/90/54/95/950905495.db2.gz FLMHYZWXMUGNED-UWVGGRQHSA-N -1 3 383.416 -0.043 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575014177 950906096 /nfs/dbraw/zinc/90/60/96/950906096.db2.gz FLMHYZWXMUGNED-VHSXEESVSA-N -1 3 383.416 -0.043 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575014178 950904795 /nfs/dbraw/zinc/90/47/95/950904795.db2.gz FLMHYZWXMUGNED-ZJUUUORDSA-N -1 3 383.416 -0.043 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001575014490 950906408 /nfs/dbraw/zinc/90/64/08/950906408.db2.gz GIFBIBTYUNNNNY-GHMZBOCLSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001575014490 950906395 /nfs/dbraw/zinc/90/63/95/950906395.db2.gz GIFBIBTYUNNNNY-GHMZBOCLSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001575014491 950902923 /nfs/dbraw/zinc/90/29/23/950902923.db2.gz GIFBIBTYUNNNNY-MNOVXSKESA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001575014491 950902902 /nfs/dbraw/zinc/90/29/02/950902902.db2.gz GIFBIBTYUNNNNY-MNOVXSKESA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001575014492 950904878 /nfs/dbraw/zinc/90/48/78/950904878.db2.gz GIFBIBTYUNNNNY-QWRGUYRKSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCc2nccn2C1 ZINC001575014492 950904868 /nfs/dbraw/zinc/90/48/68/950904868.db2.gz GIFBIBTYUNNNNY-QWRGUYRKSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001575014494 950905402 /nfs/dbraw/zinc/90/54/02/950905402.db2.gz GIFBIBTYUNNNNY-WDEREUQCSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCc2nccn2C1 ZINC001575014494 950905381 /nfs/dbraw/zinc/90/53/81/950905381.db2.gz GIFBIBTYUNNNNY-WDEREUQCSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575014509 950906663 /nfs/dbraw/zinc/90/66/63/950906663.db2.gz GNOADIDOLYOTSA-BMLIUANNSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575014509 950906650 /nfs/dbraw/zinc/90/66/50/950906650.db2.gz GNOADIDOLYOTSA-BMLIUANNSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575014511 950902379 /nfs/dbraw/zinc/90/23/79/950902379.db2.gz GNOADIDOLYOTSA-BTDLBPIBSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575014511 950902361 /nfs/dbraw/zinc/90/23/61/950902361.db2.gz GNOADIDOLYOTSA-BTDLBPIBSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575014512 950905972 /nfs/dbraw/zinc/90/59/72/950905972.db2.gz GNOADIDOLYOTSA-DYZYQPBXSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575014512 950905947 /nfs/dbraw/zinc/90/59/47/950905947.db2.gz GNOADIDOLYOTSA-DYZYQPBXSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575014513 950905622 /nfs/dbraw/zinc/90/56/22/950905622.db2.gz GNOADIDOLYOTSA-QGHHPUGFSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CC[C@@]1(C)CCC(=O)N1 ZINC001575014513 950905600 /nfs/dbraw/zinc/90/56/00/950905600.db2.gz GNOADIDOLYOTSA-QGHHPUGFSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCNC(=O)C1CCC1 ZINC001575014576 950911379 /nfs/dbraw/zinc/91/13/79/950911379.db2.gz HIGWIJWPTZCDOA-JTQLQIEISA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCNC(=O)C1CCC1 ZINC001575014576 950911372 /nfs/dbraw/zinc/91/13/72/950911372.db2.gz HIGWIJWPTZCDOA-JTQLQIEISA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCNC(=O)C1CCC1 ZINC001575014578 950909966 /nfs/dbraw/zinc/90/99/66/950909966.db2.gz HIGWIJWPTZCDOA-SNVBAGLBSA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCNC(=O)C1CCC1 ZINC001575014578 950909950 /nfs/dbraw/zinc/90/99/50/950909950.db2.gz HIGWIJWPTZCDOA-SNVBAGLBSA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001575014660 950908921 /nfs/dbraw/zinc/90/89/21/950908921.db2.gz HRJWZKTZOBXLQR-GMTAPVOTSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001575014660 950908905 /nfs/dbraw/zinc/90/89/05/950908905.db2.gz HRJWZKTZOBXLQR-GMTAPVOTSA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001575014663 950910718 /nfs/dbraw/zinc/91/07/18/950910718.db2.gz HRJWZKTZOBXLQR-HBNTYKKESA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1ccnn1C ZINC001575014663 950910696 /nfs/dbraw/zinc/91/06/96/950910696.db2.gz HRJWZKTZOBXLQR-HBNTYKKESA-N -1 3 383.416 -0.034 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCN1CCOCC1 ZINC001575014702 950910264 /nfs/dbraw/zinc/91/02/64/950910264.db2.gz IAZNPCBAGHAGIS-LLVKDONJSA-N -1 3 376.421 -0.848 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCN1CCOCC1 ZINC001575014705 950909433 /nfs/dbraw/zinc/90/94/33/950909433.db2.gz IAZNPCBAGHAGIS-NSHDSACASA-N -1 3 376.421 -0.848 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC001575014728 950910835 /nfs/dbraw/zinc/91/08/35/950910835.db2.gz IMPYWSUXQXBXSL-GHMZBOCLSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC001575014728 950910817 /nfs/dbraw/zinc/91/08/17/950910817.db2.gz IMPYWSUXQXBXSL-GHMZBOCLSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC001575014729 950909372 /nfs/dbraw/zinc/90/93/72/950909372.db2.gz IMPYWSUXQXBXSL-MNOVXSKESA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC001575014729 950909362 /nfs/dbraw/zinc/90/93/62/950909362.db2.gz IMPYWSUXQXBXSL-MNOVXSKESA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC001575014730 950909327 /nfs/dbraw/zinc/90/93/27/950909327.db2.gz IMPYWSUXQXBXSL-QWRGUYRKSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC001575014730 950909312 /nfs/dbraw/zinc/90/93/12/950909312.db2.gz IMPYWSUXQXBXSL-QWRGUYRKSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC001575014733 950910607 /nfs/dbraw/zinc/91/06/07/950910607.db2.gz IMPYWSUXQXBXSL-WDEREUQCSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC001575014733 950910589 /nfs/dbraw/zinc/91/05/89/950910589.db2.gz IMPYWSUXQXBXSL-WDEREUQCSA-N -1 3 388.432 -0.122 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575014788 950915891 /nfs/dbraw/zinc/91/58/91/950915891.db2.gz JLRVNQOSEFWUNA-NXEZZACHSA-N -1 3 383.416 -0.043 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575014789 950914922 /nfs/dbraw/zinc/91/49/22/950914922.db2.gz JLRVNQOSEFWUNA-UWVGGRQHSA-N -1 3 383.416 -0.043 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575014790 950915416 /nfs/dbraw/zinc/91/54/16/950915416.db2.gz JLRVNQOSEFWUNA-VHSXEESVSA-N -1 3 383.416 -0.043 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575014791 950913287 /nfs/dbraw/zinc/91/32/87/950913287.db2.gz JLRVNQOSEFWUNA-ZJUUUORDSA-N -1 3 383.416 -0.043 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575014794 950915043 /nfs/dbraw/zinc/91/50/43/950915043.db2.gz JNKRGIOSXLKYHU-AYGWYOGXSA-N -1 3 389.416 -0.519 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575014794 950915036 /nfs/dbraw/zinc/91/50/36/950915036.db2.gz JNKRGIOSXLKYHU-AYGWYOGXSA-N -1 3 389.416 -0.519 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575014795 950914363 /nfs/dbraw/zinc/91/43/63/950914363.db2.gz JNKRGIOSXLKYHU-YAMSLAJTSA-N -1 3 389.416 -0.519 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001575014795 950914352 /nfs/dbraw/zinc/91/43/52/950914352.db2.gz JNKRGIOSXLKYHU-YAMSLAJTSA-N -1 3 389.416 -0.519 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC1CCOCC1 ZINC001575014796 950915477 /nfs/dbraw/zinc/91/54/77/950915477.db2.gz JNLWMLGABJRDHO-JTQLQIEISA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC1CCOCC1 ZINC001575014796 950915457 /nfs/dbraw/zinc/91/54/57/950915457.db2.gz JNLWMLGABJRDHO-JTQLQIEISA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC1CCOCC1 ZINC001575014797 950914723 /nfs/dbraw/zinc/91/47/23/950914723.db2.gz JNLWMLGABJRDHO-SNVBAGLBSA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC1CCOCC1 ZINC001575014797 950914704 /nfs/dbraw/zinc/91/47/04/950914704.db2.gz JNLWMLGABJRDHO-SNVBAGLBSA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCC(=O)N(C)C ZINC001575014988 950919119 /nfs/dbraw/zinc/91/91/19/950919119.db2.gz LBEMXJOFUQZGLX-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCC(=O)N(C)C ZINC001575014988 950919104 /nfs/dbraw/zinc/91/91/04/950919104.db2.gz LBEMXJOFUQZGLX-JTQLQIEISA-N -1 3 376.421 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCC(=O)N(C)C ZINC001575014989 950920927 /nfs/dbraw/zinc/92/09/27/950920927.db2.gz LBEMXJOFUQZGLX-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCC(=O)N(C)C ZINC001575014989 950920915 /nfs/dbraw/zinc/92/09/15/950920915.db2.gz LBEMXJOFUQZGLX-SNVBAGLBSA-N -1 3 376.421 -0.312 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001575015000 950918512 /nfs/dbraw/zinc/91/85/12/950918512.db2.gz LFIPLIWHMDJNDL-GHMZBOCLSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001575015000 950918496 /nfs/dbraw/zinc/91/84/96/950918496.db2.gz LFIPLIWHMDJNDL-GHMZBOCLSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001575015001 950919812 /nfs/dbraw/zinc/91/98/12/950919812.db2.gz LFIPLIWHMDJNDL-MNOVXSKESA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001575015001 950919794 /nfs/dbraw/zinc/91/97/94/950919794.db2.gz LFIPLIWHMDJNDL-MNOVXSKESA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001575015002 950919074 /nfs/dbraw/zinc/91/90/74/950919074.db2.gz LFIPLIWHMDJNDL-QWRGUYRKSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCn2ccnc2C1 ZINC001575015002 950919057 /nfs/dbraw/zinc/91/90/57/950919057.db2.gz LFIPLIWHMDJNDL-QWRGUYRKSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001575015003 950918386 /nfs/dbraw/zinc/91/83/86/950918386.db2.gz LFIPLIWHMDJNDL-WDEREUQCSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCn2ccnc2C1 ZINC001575015003 950918369 /nfs/dbraw/zinc/91/83/69/950918369.db2.gz LFIPLIWHMDJNDL-WDEREUQCSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(CN(C)C)on1 ZINC001575015010 950918900 /nfs/dbraw/zinc/91/89/00/950918900.db2.gz LKEHCNMEOLWNHG-SECBINFHSA-N -1 3 387.404 -0.207 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(CN(C)C)on1 ZINC001575015010 950918885 /nfs/dbraw/zinc/91/88/85/950918885.db2.gz LKEHCNMEOLWNHG-SECBINFHSA-N -1 3 387.404 -0.207 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc(CN(C)C)on1 ZINC001575015011 950917606 /nfs/dbraw/zinc/91/76/06/950917606.db2.gz LKEHCNMEOLWNHG-VIFPVBQESA-N -1 3 387.404 -0.207 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc(CN(C)C)on1 ZINC001575015011 950917589 /nfs/dbraw/zinc/91/75/89/950917589.db2.gz LKEHCNMEOLWNHG-VIFPVBQESA-N -1 3 387.404 -0.207 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2n(n1)CCCO2 ZINC001575015020 950919919 /nfs/dbraw/zinc/91/99/19/950919919.db2.gz LTFFUICEYNSICB-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2n(n1)CCCO2 ZINC001575015020 950919908 /nfs/dbraw/zinc/91/99/08/950919908.db2.gz LTFFUICEYNSICB-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2n(n1)CCCO2 ZINC001575015021 950917862 /nfs/dbraw/zinc/91/78/62/950917862.db2.gz LTFFUICEYNSICB-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2n(n1)CCCO2 ZINC001575015021 950917840 /nfs/dbraw/zinc/91/78/40/950917840.db2.gz LTFFUICEYNSICB-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCNC(=O)C1CC1 ZINC001575015022 950918312 /nfs/dbraw/zinc/91/83/12/950918312.db2.gz LVKACFOITCHWNP-JTQLQIEISA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCNC(=O)C1CC1 ZINC001575015022 950918291 /nfs/dbraw/zinc/91/82/91/950918291.db2.gz LVKACFOITCHWNP-JTQLQIEISA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCNC(=O)C1CC1 ZINC001575015023 950921122 /nfs/dbraw/zinc/92/11/22/950921122.db2.gz LVKACFOITCHWNP-SNVBAGLBSA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCNC(=O)C1CC1 ZINC001575015023 950921112 /nfs/dbraw/zinc/92/11/12/950921112.db2.gz LVKACFOITCHWNP-SNVBAGLBSA-N -1 3 388.432 -0.264 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)N1CCOCC1 ZINC001575015158 950924389 /nfs/dbraw/zinc/92/43/89/950924389.db2.gz MWSLFZJDPXCEFO-MNOVXSKESA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)N1CCOCC1 ZINC001575015158 950924369 /nfs/dbraw/zinc/92/43/69/950924369.db2.gz MWSLFZJDPXCEFO-MNOVXSKESA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)N1CCOCC1 ZINC001575015159 950922750 /nfs/dbraw/zinc/92/27/50/950922750.db2.gz MWSLFZJDPXCEFO-QWRGUYRKSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)N1CCOCC1 ZINC001575015159 950922740 /nfs/dbraw/zinc/92/27/40/950922740.db2.gz MWSLFZJDPXCEFO-QWRGUYRKSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CNC(=O)N1CCCC1 ZINC001575015218 950925059 /nfs/dbraw/zinc/92/50/59/950925059.db2.gz OIFWDOUIRPSQID-JTQLQIEISA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CNC(=O)N1CCCC1 ZINC001575015218 950925041 /nfs/dbraw/zinc/92/50/41/950925041.db2.gz OIFWDOUIRPSQID-JTQLQIEISA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CNC(=O)N1CCCC1 ZINC001575015219 950922666 /nfs/dbraw/zinc/92/26/66/950922666.db2.gz OIFWDOUIRPSQID-SNVBAGLBSA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CNC(=O)N1CCCC1 ZINC001575015219 950922646 /nfs/dbraw/zinc/92/26/46/950922646.db2.gz OIFWDOUIRPSQID-SNVBAGLBSA-N -1 3 389.420 -0.765 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@@H](C)N1CCCC1=O ZINC001575015234 950927638 /nfs/dbraw/zinc/92/76/38/950927638.db2.gz OMOHVGRRZQTPAE-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@@H](C)N1CCCC1=O ZINC001575015234 950927617 /nfs/dbraw/zinc/92/76/17/950927617.db2.gz OMOHVGRRZQTPAE-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H](C)N1CCCC1=O ZINC001575015282 950927573 /nfs/dbraw/zinc/92/75/73/950927573.db2.gz OMOHVGRRZQTPAE-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H](C)N1CCCC1=O ZINC001575015282 950927560 /nfs/dbraw/zinc/92/75/60/950927560.db2.gz OMOHVGRRZQTPAE-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)C[C@H](C)N1CCCC1=O ZINC001575015283 950928312 /nfs/dbraw/zinc/92/83/12/950928312.db2.gz OMOHVGRRZQTPAE-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)C[C@H](C)N1CCCC1=O ZINC001575015283 950928299 /nfs/dbraw/zinc/92/82/99/950928299.db2.gz OMOHVGRRZQTPAE-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)N1CCCC1=O ZINC001575015284 950929896 /nfs/dbraw/zinc/92/98/96/950929896.db2.gz OMOHVGRRZQTPAE-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)N1CCCC1=O ZINC001575015284 950929880 /nfs/dbraw/zinc/92/98/80/950929880.db2.gz OMOHVGRRZQTPAE-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001575015480 950932912 /nfs/dbraw/zinc/93/29/12/950932912.db2.gz RJWDNYCHJJUHRK-GZMMTYOYSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001575015480 950932894 /nfs/dbraw/zinc/93/28/94/950932894.db2.gz RJWDNYCHJJUHRK-GZMMTYOYSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001575015481 950933221 /nfs/dbraw/zinc/93/32/21/950933221.db2.gz RJWDNYCHJJUHRK-KCJUWKMLSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001575015481 950933212 /nfs/dbraw/zinc/93/32/12/950933212.db2.gz RJWDNYCHJJUHRK-KCJUWKMLSA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001575015482 950933275 /nfs/dbraw/zinc/93/32/75/950933275.db2.gz RJWDNYCHJJUHRK-KWQFWETISA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCCS1(=O)=O ZINC001575015482 950933264 /nfs/dbraw/zinc/93/32/64/950933264.db2.gz RJWDNYCHJJUHRK-KWQFWETISA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001575015483 950935528 /nfs/dbraw/zinc/93/55/28/950935528.db2.gz RJWDNYCHJJUHRK-LDYMZIIASA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCCS1(=O)=O ZINC001575015483 950935512 /nfs/dbraw/zinc/93/55/12/950935512.db2.gz RJWDNYCHJJUHRK-LDYMZIIASA-N -1 3 381.418 -0.994 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CNC(=O)C(C)(C)C ZINC001575015488 950938483 /nfs/dbraw/zinc/93/84/83/950938483.db2.gz RLHLWHXSGBTEKW-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CNC(=O)C(C)(C)C ZINC001575015488 950938462 /nfs/dbraw/zinc/93/84/62/950938462.db2.gz RLHLWHXSGBTEKW-SECBINFHSA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CNC(=O)C(C)(C)C ZINC001575015489 950940152 /nfs/dbraw/zinc/94/01/52/950940152.db2.gz RLHLWHXSGBTEKW-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CNC(=O)C(C)(C)C ZINC001575015489 950940141 /nfs/dbraw/zinc/94/01/41/950940141.db2.gz RLHLWHXSGBTEKW-VIFPVBQESA-N -1 3 376.421 -0.408 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001575015512 950939530 /nfs/dbraw/zinc/93/95/30/950939530.db2.gz RRMHDKXAIXNWAZ-NXEZZACHSA-N -1 3 384.404 -0.717 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001575015512 950939517 /nfs/dbraw/zinc/93/95/17/950939517.db2.gz RRMHDKXAIXNWAZ-NXEZZACHSA-N -1 3 384.404 -0.717 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001575015513 950940356 /nfs/dbraw/zinc/94/03/56/950940356.db2.gz RRMHDKXAIXNWAZ-UWVGGRQHSA-N -1 3 384.404 -0.717 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001575015513 950940339 /nfs/dbraw/zinc/94/03/39/950940339.db2.gz RRMHDKXAIXNWAZ-UWVGGRQHSA-N -1 3 384.404 -0.717 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001575015514 950940469 /nfs/dbraw/zinc/94/04/69/950940469.db2.gz RRMHDKXAIXNWAZ-VHSXEESVSA-N -1 3 384.404 -0.717 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCc2nncn2C1 ZINC001575015514 950940453 /nfs/dbraw/zinc/94/04/53/950940453.db2.gz RRMHDKXAIXNWAZ-VHSXEESVSA-N -1 3 384.404 -0.717 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001575015515 950938551 /nfs/dbraw/zinc/93/85/51/950938551.db2.gz RRMHDKXAIXNWAZ-ZJUUUORDSA-N -1 3 384.404 -0.717 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCc2nncn2C1 ZINC001575015515 950938532 /nfs/dbraw/zinc/93/85/32/950938532.db2.gz RRMHDKXAIXNWAZ-ZJUUUORDSA-N -1 3 384.404 -0.717 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC[C@H]1CCCO1 ZINC001575015522 950938065 /nfs/dbraw/zinc/93/80/65/950938065.db2.gz SEYIZSUAQQWSOM-GHMZBOCLSA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC[C@H]1CCCO1 ZINC001575015522 950938044 /nfs/dbraw/zinc/93/80/44/950938044.db2.gz SEYIZSUAQQWSOM-GHMZBOCLSA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC[C@@H]1CCCO1 ZINC001575015523 950941407 /nfs/dbraw/zinc/94/14/07/950941407.db2.gz SEYIZSUAQQWSOM-MNOVXSKESA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC[C@@H]1CCCO1 ZINC001575015523 950941393 /nfs/dbraw/zinc/94/13/93/950941393.db2.gz SEYIZSUAQQWSOM-MNOVXSKESA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC[C@@H]1CCCO1 ZINC001575015524 950940048 /nfs/dbraw/zinc/94/00/48/950940048.db2.gz SEYIZSUAQQWSOM-QWRGUYRKSA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC[C@@H]1CCCO1 ZINC001575015524 950940030 /nfs/dbraw/zinc/94/00/30/950940030.db2.gz SEYIZSUAQQWSOM-QWRGUYRKSA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COC[C@H]1CCCO1 ZINC001575015525 950940252 /nfs/dbraw/zinc/94/02/52/950940252.db2.gz SEYIZSUAQQWSOM-WDEREUQCSA-N -1 3 377.405 -0.375 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COC[C@H]1CCCO1 ZINC001575015525 950940240 /nfs/dbraw/zinc/94/02/40/950940240.db2.gz SEYIZSUAQQWSOM-WDEREUQCSA-N -1 3 377.405 -0.375 20 0 GBADHM CC(C)C(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575015606 950939259 /nfs/dbraw/zinc/93/92/59/950939259.db2.gz SNJRDOGIYSHQSF-JTQLQIEISA-N -1 3 376.421 -0.456 20 0 GBADHM CC(C)C(=O)N(C)CC(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575015606 950939247 /nfs/dbraw/zinc/93/92/47/950939247.db2.gz SNJRDOGIYSHQSF-JTQLQIEISA-N -1 3 376.421 -0.456 20 0 GBADHM CC(C)C(=O)N(C)CC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575015608 950938870 /nfs/dbraw/zinc/93/88/70/950938870.db2.gz SNJRDOGIYSHQSF-SNVBAGLBSA-N -1 3 376.421 -0.456 20 0 GBADHM CC(C)C(=O)N(C)CC(=O)N[C@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575015608 950938860 /nfs/dbraw/zinc/93/88/60/950938860.db2.gz SNJRDOGIYSHQSF-SNVBAGLBSA-N -1 3 376.421 -0.456 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCNC(=O)C(C)(C)C ZINC001575015653 950946496 /nfs/dbraw/zinc/94/64/96/950946496.db2.gz UJGVAQBRJKMXQK-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCNC(=O)C(C)(C)C ZINC001575015653 950946477 /nfs/dbraw/zinc/94/64/77/950946477.db2.gz UJGVAQBRJKMXQK-JTQLQIEISA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCNC(=O)C(C)(C)C ZINC001575015654 950943840 /nfs/dbraw/zinc/94/38/40/950943840.db2.gz UJGVAQBRJKMXQK-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCNC(=O)C(C)(C)C ZINC001575015654 950943821 /nfs/dbraw/zinc/94/38/21/950943821.db2.gz UJGVAQBRJKMXQK-SNVBAGLBSA-N -1 3 390.448 -0.018 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001575015688 950944631 /nfs/dbraw/zinc/94/46/31/950944631.db2.gz USUFBAPNZCNXIL-GHMZBOCLSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001575015688 950944616 /nfs/dbraw/zinc/94/46/16/950944616.db2.gz USUFBAPNZCNXIL-GHMZBOCLSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001575015690 950943209 /nfs/dbraw/zinc/94/32/09/950943209.db2.gz USUFBAPNZCNXIL-MNOVXSKESA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001575015690 950943193 /nfs/dbraw/zinc/94/31/93/950943193.db2.gz USUFBAPNZCNXIL-MNOVXSKESA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001575015692 950942754 /nfs/dbraw/zinc/94/27/54/950942754.db2.gz USUFBAPNZCNXIL-QWRGUYRKSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H]1CCn2cncc2C1 ZINC001575015692 950942739 /nfs/dbraw/zinc/94/27/39/950942739.db2.gz USUFBAPNZCNXIL-QWRGUYRKSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001575015693 950943686 /nfs/dbraw/zinc/94/36/86/950943686.db2.gz USUFBAPNZCNXIL-WDEREUQCSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001575015693 950943647 /nfs/dbraw/zinc/94/36/47/950943647.db2.gz USUFBAPNZCNXIL-WDEREUQCSA-N -1 3 383.416 -0.112 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCS(C)(=O)=O ZINC001575015704 950946033 /nfs/dbraw/zinc/94/60/33/950946033.db2.gz VBZKZHIPDZTHQR-SECBINFHSA-N -1 3 383.434 -0.746 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCS(C)(=O)=O ZINC001575015704 950946017 /nfs/dbraw/zinc/94/60/17/950946017.db2.gz VBZKZHIPDZTHQR-SECBINFHSA-N -1 3 383.434 -0.746 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)CCCS(C)(=O)=O ZINC001575015705 950944410 /nfs/dbraw/zinc/94/44/10/950944410.db2.gz VBZKZHIPDZTHQR-VIFPVBQESA-N -1 3 383.434 -0.746 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)CCCS(C)(=O)=O ZINC001575015705 950944400 /nfs/dbraw/zinc/94/44/00/950944400.db2.gz VBZKZHIPDZTHQR-VIFPVBQESA-N -1 3 383.434 -0.746 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2ncccn2n1 ZINC001575015710 950946194 /nfs/dbraw/zinc/94/61/94/950946194.db2.gz VIIJHDVSPQONNX-SECBINFHSA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2ncccn2n1 ZINC001575015710 950946168 /nfs/dbraw/zinc/94/61/68/950946168.db2.gz VIIJHDVSPQONNX-SECBINFHSA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cc2ncccn2n1 ZINC001575015711 950945456 /nfs/dbraw/zinc/94/54/56/950945456.db2.gz VIIJHDVSPQONNX-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cc2ncccn2n1 ZINC001575015711 950945438 /nfs/dbraw/zinc/94/54/38/950945438.db2.gz VIIJHDVSPQONNX-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCc1nccn1C ZINC001575015780 950949217 /nfs/dbraw/zinc/94/92/17/950949217.db2.gz WHFSGODPUILYGU-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)COCc1nccn1C ZINC001575015780 950949193 /nfs/dbraw/zinc/94/91/93/950949193.db2.gz WHFSGODPUILYGU-JTQLQIEISA-N -1 3 387.404 -0.620 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)COCc1nccn1C ZINC001575015782 950949601 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C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)Cn1cc(Cl)cn1 ZINC001575016009 950959058 /nfs/dbraw/zinc/95/90/58/950959058.db2.gz ZVEPRBFUANCIJS-QMMMGPOBSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)Cn1cc(Cl)cn1 ZINC001575016009 950959036 /nfs/dbraw/zinc/95/90/36/950959036.db2.gz ZVEPRBFUANCIJS-QMMMGPOBSA-N -1 3 377.796 -0.021 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001575016959 950967488 /nfs/dbraw/zinc/96/74/88/950967488.db2.gz DMWFDDBKUKYICS-SECBINFHSA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001575016959 950967474 /nfs/dbraw/zinc/96/74/74/950967474.db2.gz DMWFDDBKUKYICS-SECBINFHSA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001575016960 950970162 /nfs/dbraw/zinc/97/01/62/950970162.db2.gz DMWFDDBKUKYICS-VIFPVBQESA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn(CCF)c1 ZINC001575016960 950970149 /nfs/dbraw/zinc/97/01/49/950970149.db2.gz DMWFDDBKUKYICS-VIFPVBQESA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(CC2CC2)nn1 ZINC001575016985 950968588 /nfs/dbraw/zinc/96/85/88/950968588.db2.gz FDKOGDYHMDSYEX-SECBINFHSA-N -1 3 384.404 -0.255 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(CC2CC2)nn1 ZINC001575016985 950968569 /nfs/dbraw/zinc/96/85/69/950968569.db2.gz FDKOGDYHMDSYEX-SECBINFHSA-N -1 3 384.404 -0.255 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cn(CC2CC2)nn1 ZINC001575016986 950969513 /nfs/dbraw/zinc/96/95/13/950969513.db2.gz FDKOGDYHMDSYEX-VIFPVBQESA-N -1 3 384.404 -0.255 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cn(CC2CC2)nn1 ZINC001575016986 950969498 /nfs/dbraw/zinc/96/94/98/950969498.db2.gz FDKOGDYHMDSYEX-VIFPVBQESA-N -1 3 384.404 -0.255 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-n2cnnn2)cn1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575017029 950971070 /nfs/dbraw/zinc/97/10/70/950971070.db2.gz GGXWYSAKVPEUIA-JTQLQIEISA-N -1 3 392.387 -0.137 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-n2cnnn2)cn1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575017029 950971062 /nfs/dbraw/zinc/97/10/62/950971062.db2.gz GGXWYSAKVPEUIA-JTQLQIEISA-N -1 3 392.387 -0.137 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-n2cnnn2)cn1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575017030 950971211 /nfs/dbraw/zinc/97/12/11/950971211.db2.gz GGXWYSAKVPEUIA-SNVBAGLBSA-N -1 3 392.387 -0.137 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-n2cnnn2)cn1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575017030 950971192 /nfs/dbraw/zinc/97/11/92/950971192.db2.gz GGXWYSAKVPEUIA-SNVBAGLBSA-N -1 3 392.387 -0.137 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)Nc1cncc(C(=O)N(C)C)n1 ZINC001575017033 950974421 /nfs/dbraw/zinc/97/44/21/950974421.db2.gz GJBIXMGYWMOWGJ-SECBINFHSA-N -1 3 384.404 -0.083 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)Nc1cncc(C(=O)N(C)C)n1 ZINC001575017033 950974401 /nfs/dbraw/zinc/97/44/01/950974401.db2.gz GJBIXMGYWMOWGJ-SECBINFHSA-N -1 3 384.404 -0.083 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)Nc1cncc(C(=O)N(C)C)n1 ZINC001575017034 950974608 /nfs/dbraw/zinc/97/46/08/950974608.db2.gz GJBIXMGYWMOWGJ-VIFPVBQESA-N -1 3 384.404 -0.083 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)Nc1cncc(C(=O)N(C)C)n1 ZINC001575017034 950974592 /nfs/dbraw/zinc/97/45/92/950974592.db2.gz GJBIXMGYWMOWGJ-VIFPVBQESA-N -1 3 384.404 -0.083 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575017195 950981552 /nfs/dbraw/zinc/98/15/52/950981552.db2.gz BWHAWIWOKRIABJ-SECBINFHSA-N -1 3 387.379 -0.251 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575017195 950981534 /nfs/dbraw/zinc/98/15/34/950981534.db2.gz BWHAWIWOKRIABJ-SECBINFHSA-N -1 3 387.379 -0.251 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575017196 950981193 /nfs/dbraw/zinc/98/11/93/950981193.db2.gz BWHAWIWOKRIABJ-VIFPVBQESA-N -1 3 387.379 -0.251 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575017196 950981176 /nfs/dbraw/zinc/98/11/76/950981176.db2.gz BWHAWIWOKRIABJ-VIFPVBQESA-N -1 3 387.379 -0.251 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn2c1OCCC2 ZINC001575017249 950987142 /nfs/dbraw/zinc/98/71/42/950987142.db2.gz JABKIHMXVMCDMG-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn2c1OCCC2 ZINC001575017249 950987128 /nfs/dbraw/zinc/98/71/28/950987128.db2.gz JABKIHMXVMCDMG-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnn2c1OCCC2 ZINC001575017252 950987798 /nfs/dbraw/zinc/98/77/98/950987798.db2.gz JABKIHMXVMCDMG-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnn2c1OCCC2 ZINC001575017252 950987792 /nfs/dbraw/zinc/98/77/92/950987792.db2.gz JABKIHMXVMCDMG-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575017433 950993985 /nfs/dbraw/zinc/99/39/85/950993985.db2.gz GCZYEVHUNIEBLX-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575017433 950993965 /nfs/dbraw/zinc/99/39/65/950993965.db2.gz GCZYEVHUNIEBLX-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575017434 950995024 /nfs/dbraw/zinc/99/50/24/950995024.db2.gz GCZYEVHUNIEBLX-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575017434 950995005 /nfs/dbraw/zinc/99/50/05/950995005.db2.gz GCZYEVHUNIEBLX-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1ccc(=O)n(C)n1 ZINC001575017546 951000072 /nfs/dbraw/zinc/00/00/72/951000072.db2.gz HRCBTSXVVUOXLR-SECBINFHSA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1ccc(=O)n(C)n1 ZINC001575017546 951000053 /nfs/dbraw/zinc/00/00/53/951000053.db2.gz HRCBTSXVVUOXLR-SECBINFHSA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)CNC(=O)c1ccc(=O)n(C)n1 ZINC001575017548 950998867 /nfs/dbraw/zinc/99/88/67/950998867.db2.gz HRCBTSXVVUOXLR-VIFPVBQESA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)CNC(=O)c1ccc(=O)n(C)n1 ZINC001575017548 950998855 /nfs/dbraw/zinc/99/88/55/950998855.db2.gz HRCBTSXVVUOXLR-VIFPVBQESA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc2n1CCOC2 ZINC001575017579 951004933 /nfs/dbraw/zinc/00/49/33/951004933.db2.gz LUJOCFJKFCQYEI-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc2n1CCOC2 ZINC001575017579 951004909 /nfs/dbraw/zinc/00/49/09/951004909.db2.gz LUJOCFJKFCQYEI-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc2n1CCOC2 ZINC001575017580 951002256 /nfs/dbraw/zinc/00/22/56/951002256.db2.gz LUJOCFJKFCQYEI-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc2n1CCOC2 ZINC001575017580 951002227 /nfs/dbraw/zinc/00/22/27/951002227.db2.gz LUJOCFJKFCQYEI-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1ccc(=O)n(C)c1 ZINC001575017788 951010776 /nfs/dbraw/zinc/01/07/76/951010776.db2.gz KBFMHONWEBWZQF-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ccc(=O)n(C)c1 ZINC001575017788 951010762 /nfs/dbraw/zinc/01/07/62/951010762.db2.gz KBFMHONWEBWZQF-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1ccc(=O)n(C)c1 ZINC001575017789 951012395 /nfs/dbraw/zinc/01/23/95/951012395.db2.gz KBFMHONWEBWZQF-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ccc(=O)n(C)c1 ZINC001575017789 951012381 /nfs/dbraw/zinc/01/23/81/951012381.db2.gz KBFMHONWEBWZQF-SNVBAGLBSA-N -1 3 384.400 -0.311 20 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ZINC001575017864 951012185 /nfs/dbraw/zinc/01/21/85/951012185.db2.gz OELPIECHMZJWIY-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575018196 951017330 /nfs/dbraw/zinc/01/73/30/951017330.db2.gz MIWCDAPHKGJFAW-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575018196 951017318 /nfs/dbraw/zinc/01/73/18/951017318.db2.gz MIWCDAPHKGJFAW-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575018197 951017568 /nfs/dbraw/zinc/01/75/68/951017568.db2.gz MIWCDAPHKGJFAW-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575018197 951017555 /nfs/dbraw/zinc/01/75/55/951017555.db2.gz MIWCDAPHKGJFAW-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575019007 951030298 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RYVXMYWXIASFNN-SECBINFHSA-N -1 3 387.379 -0.028 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575019100 951033488 /nfs/dbraw/zinc/03/34/88/951033488.db2.gz RYVXMYWXIASFNN-VIFPVBQESA-N -1 3 387.379 -0.028 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575019100 951033473 /nfs/dbraw/zinc/03/34/73/951033473.db2.gz RYVXMYWXIASFNN-VIFPVBQESA-N -1 3 387.379 -0.028 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575019321 951036128 /nfs/dbraw/zinc/03/61/28/951036128.db2.gz SKQBPMSZYVCSLS-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575019321 951036115 /nfs/dbraw/zinc/03/61/15/951036115.db2.gz SKQBPMSZYVCSLS-SECBINFHSA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575019327 951037576 /nfs/dbraw/zinc/03/75/76/951037576.db2.gz SKQBPMSZYVCSLS-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575019327 951037564 /nfs/dbraw/zinc/03/75/64/951037564.db2.gz SKQBPMSZYVCSLS-VIFPVBQESA-N -1 3 385.388 -0.821 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575019698 951041848 /nfs/dbraw/zinc/04/18/48/951041848.db2.gz UZZIUMDHQAVGGD-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575019698 951041836 /nfs/dbraw/zinc/04/18/36/951041836.db2.gz UZZIUMDHQAVGGD-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575019699 951041744 /nfs/dbraw/zinc/04/17/44/951041744.db2.gz UZZIUMDHQAVGGD-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575019699 951041736 /nfs/dbraw/zinc/04/17/36/951041736.db2.gz UZZIUMDHQAVGGD-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1ccc(=O)n(C)n1 ZINC001575019835 951048453 /nfs/dbraw/zinc/04/84/53/951048453.db2.gz WCUOXAYDILJCTM-SECBINFHSA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ccc(=O)n(C)n1 ZINC001575019835 951048438 /nfs/dbraw/zinc/04/84/38/951048438.db2.gz WCUOXAYDILJCTM-SECBINFHSA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1ccc(=O)n(C)n1 ZINC001575019837 951045974 /nfs/dbraw/zinc/04/59/74/951045974.db2.gz WCUOXAYDILJCTM-VIFPVBQESA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ccc(=O)n(C)n1 ZINC001575019837 951045958 /nfs/dbraw/zinc/04/59/58/951045958.db2.gz WCUOXAYDILJCTM-VIFPVBQESA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575020185 951053431 /nfs/dbraw/zinc/05/34/31/951053431.db2.gz ZPVMXCGQQHUVIV-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575020185 951053420 /nfs/dbraw/zinc/05/34/20/951053420.db2.gz ZPVMXCGQQHUVIV-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575020187 951054714 /nfs/dbraw/zinc/05/47/14/951054714.db2.gz ZPVMXCGQQHUVIV-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(=O)n(C)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575020187 951054705 /nfs/dbraw/zinc/05/47/05/951054705.db2.gz ZPVMXCGQQHUVIV-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc(N(C)C)cn1 ZINC001575020330 951056523 /nfs/dbraw/zinc/05/65/23/951056523.db2.gz YYLLUQVNVHYNKV-SECBINFHSA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc(N(C)C)cn1 ZINC001575020330 951056509 /nfs/dbraw/zinc/05/65/09/951056509.db2.gz YYLLUQVNVHYNKV-SECBINFHSA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)c1cnc(N(C)C)cn1 ZINC001575020331 951057596 /nfs/dbraw/zinc/05/75/96/951057596.db2.gz YYLLUQVNVHYNKV-VIFPVBQESA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1cnc(N(C)C)cn1 ZINC001575020331 951057581 /nfs/dbraw/zinc/05/75/81/951057581.db2.gz YYLLUQVNVHYNKV-VIFPVBQESA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1cccn(C)c1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575031750 951203837 /nfs/dbraw/zinc/20/38/37/951203837.db2.gz IEHLKCXHABQVJV-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cccn(C)c1=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575031750 951203827 /nfs/dbraw/zinc/20/38/27/951203827.db2.gz IEHLKCXHABQVJV-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cccn(C)c1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575031751 951204820 /nfs/dbraw/zinc/20/48/20/951204820.db2.gz IEHLKCXHABQVJV-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cccn(C)c1=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575031751 951204815 /nfs/dbraw/zinc/20/48/15/951204815.db2.gz IEHLKCXHABQVJV-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cccn(C)c1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575032217 951219216 /nfs/dbraw/zinc/21/92/16/951219216.db2.gz UFAGHYCMIUOHOM-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cccn(C)c1=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575032217 951219210 /nfs/dbraw/zinc/21/92/10/951219210.db2.gz UFAGHYCMIUOHOM-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cccn(C)c1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575032218 951219674 /nfs/dbraw/zinc/21/96/74/951219674.db2.gz UFAGHYCMIUOHOM-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cccn(C)c1=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575032218 951219668 /nfs/dbraw/zinc/21/96/68/951219668.db2.gz UFAGHYCMIUOHOM-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccn2nnnc2c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575035198 951270754 /nfs/dbraw/zinc/27/07/54/951270754.db2.gz HKZVXPULZHBUDB-JTQLQIEISA-N -1 3 379.388 -0.046 20 0 GBADHM C[C@@H](CNC(=O)c1ccn2nnnc2c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575035198 951270743 /nfs/dbraw/zinc/27/07/43/951270743.db2.gz HKZVXPULZHBUDB-JTQLQIEISA-N -1 3 379.388 -0.046 20 0 GBADHM C[C@H](CNC(=O)c1ccn2nnnc2c1)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575035200 951271296 /nfs/dbraw/zinc/27/12/96/951271296.db2.gz HKZVXPULZHBUDB-SNVBAGLBSA-N -1 3 379.388 -0.046 20 0 GBADHM C[C@H](CNC(=O)c1ccn2nnnc2c1)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575035200 951271281 /nfs/dbraw/zinc/27/12/81/951271281.db2.gz HKZVXPULZHBUDB-SNVBAGLBSA-N -1 3 379.388 -0.046 20 0 GBADHM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575035210 951269864 /nfs/dbraw/zinc/26/98/64/951269864.db2.gz HTGOQHSZWCEUOY-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575035210 951269854 /nfs/dbraw/zinc/26/98/54/951269854.db2.gz HTGOQHSZWCEUOY-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575035212 951269693 /nfs/dbraw/zinc/26/96/93/951269693.db2.gz HTGOQHSZWCEUOY-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575035212 951269683 /nfs/dbraw/zinc/26/96/83/951269683.db2.gz HTGOQHSZWCEUOY-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1ccn(C)c(=O)c1 ZINC001575035796 951282565 /nfs/dbraw/zinc/28/25/65/951282565.db2.gz LSCJGDPLEZTWQH-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ccn(C)c(=O)c1 ZINC001575035796 951282552 /nfs/dbraw/zinc/28/25/52/951282552.db2.gz LSCJGDPLEZTWQH-JTQLQIEISA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1ccn(C)c(=O)c1 ZINC001575035797 951283367 /nfs/dbraw/zinc/28/33/67/951283367.db2.gz LSCJGDPLEZTWQH-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1ccn(C)c(=O)c1 ZINC001575035797 951283352 /nfs/dbraw/zinc/28/33/52/951283352.db2.gz LSCJGDPLEZTWQH-SNVBAGLBSA-N -1 3 384.400 -0.311 20 0 GBADHM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575036534 951299413 /nfs/dbraw/zinc/29/94/13/951299413.db2.gz UNFFOEHBUDYQRV-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575036534 951299400 /nfs/dbraw/zinc/29/94/00/951299400.db2.gz UNFFOEHBUDYQRV-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575036535 951299054 /nfs/dbraw/zinc/29/90/54/951299054.db2.gz UNFFOEHBUDYQRV-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575036535 951299044 /nfs/dbraw/zinc/29/90/44/951299044.db2.gz UNFFOEHBUDYQRV-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575037002 951303427 /nfs/dbraw/zinc/30/34/27/951303427.db2.gz ZMBYUKWECVLUKY-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575037002 951303415 /nfs/dbraw/zinc/30/34/15/951303415.db2.gz ZMBYUKWECVLUKY-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575037006 951304210 /nfs/dbraw/zinc/30/42/10/951304210.db2.gz ZMBYUKWECVLUKY-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1ccn(C)c(=O)c1)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575037006 951304194 /nfs/dbraw/zinc/30/41/94/951304194.db2.gz ZMBYUKWECVLUKY-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575041937 951353819 /nfs/dbraw/zinc/35/38/19/951353819.db2.gz DGZJDOAXNGCVKB-SECBINFHSA-N -1 3 389.395 -0.084 20 0 GBADHM C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575041937 951353805 /nfs/dbraw/zinc/35/38/05/951353805.db2.gz DGZJDOAXNGCVKB-SECBINFHSA-N -1 3 389.395 -0.084 20 0 GBADHM C[C@H](CNC(=O)c1cn(C)c(=O)n1C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575041938 951351335 /nfs/dbraw/zinc/35/13/35/951351335.db2.gz DGZJDOAXNGCVKB-VIFPVBQESA-N -1 3 389.395 -0.084 20 0 GBADHM C[C@H](CNC(=O)c1cn(C)c(=O)n1C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575041938 951351328 /nfs/dbraw/zinc/35/13/28/951351328.db2.gz DGZJDOAXNGCVKB-VIFPVBQESA-N -1 3 389.395 -0.084 20 0 GBADHM C[C@H](CNC(=O)c1cn(C)c(=O)n1C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575042133 951357113 /nfs/dbraw/zinc/35/71/13/951357113.db2.gz GCOAVUWLPOVDTJ-SECBINFHSA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@H](CNC(=O)c1cn(C)c(=O)n1C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575042133 951357101 /nfs/dbraw/zinc/35/71/01/951357101.db2.gz GCOAVUWLPOVDTJ-SECBINFHSA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575042134 951355057 /nfs/dbraw/zinc/35/50/57/951355057.db2.gz GCOAVUWLPOVDTJ-VIFPVBQESA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575042134 951355046 /nfs/dbraw/zinc/35/50/46/951355046.db2.gz GCOAVUWLPOVDTJ-VIFPVBQESA-N -1 3 387.404 -0.878 20 0 GBADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575042378 951362930 /nfs/dbraw/zinc/36/29/30/951362930.db2.gz ISRUPZZRFKDXNJ-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575042378 951362913 /nfs/dbraw/zinc/36/29/13/951362913.db2.gz ISRUPZZRFKDXNJ-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575042381 951364276 /nfs/dbraw/zinc/36/42/76/951364276.db2.gz ISRUPZZRFKDXNJ-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575042381 951364263 /nfs/dbraw/zinc/36/42/63/951364263.db2.gz ISRUPZZRFKDXNJ-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575042413 951364059 /nfs/dbraw/zinc/36/40/59/951364059.db2.gz JGHIPPUBKBZCSP-SECBINFHSA-N -1 3 385.388 -0.461 20 0 GBADHM C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575042413 951364043 /nfs/dbraw/zinc/36/40/43/951364043.db2.gz JGHIPPUBKBZCSP-SECBINFHSA-N -1 3 385.388 -0.461 20 0 GBADHM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575042414 951363063 /nfs/dbraw/zinc/36/30/63/951363063.db2.gz JGHIPPUBKBZCSP-VIFPVBQESA-N -1 3 385.388 -0.461 20 0 GBADHM C[C@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001575042414 951363048 /nfs/dbraw/zinc/36/30/48/951363048.db2.gz JGHIPPUBKBZCSP-VIFPVBQESA-N -1 3 385.388 -0.461 20 0 GBADHM 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C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]c1=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575043369 951390180 /nfs/dbraw/zinc/39/01/80/951390180.db2.gz RJGVELJSQFIOCS-VIFPVBQESA-N -1 3 385.388 -0.684 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cn(C)c(=O)cn1 ZINC001575043496 951396295 /nfs/dbraw/zinc/39/62/95/951396295.db2.gz SEFSYARFPCOKDS-SECBINFHSA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cn(C)c(=O)cn1 ZINC001575043496 951396282 /nfs/dbraw/zinc/39/62/82/951396282.db2.gz SEFSYARFPCOKDS-SECBINFHSA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)CNC(=O)c1cn(C)c(=O)cn1 ZINC001575043497 951396989 /nfs/dbraw/zinc/39/69/89/951396989.db2.gz SEFSYARFPCOKDS-VIFPVBQESA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)CNC(=O)c1cn(C)c(=O)cn1 ZINC001575043497 951396975 /nfs/dbraw/zinc/39/69/75/951396975.db2.gz SEFSYARFPCOKDS-VIFPVBQESA-N -1 3 385.388 -0.916 20 0 GBADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575043585 951400719 /nfs/dbraw/zinc/40/07/19/951400719.db2.gz KINXALSNRITIAN-SECBINFHSA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575043585 951400710 /nfs/dbraw/zinc/40/07/10/951400710.db2.gz KINXALSNRITIAN-SECBINFHSA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575043587 951399664 /nfs/dbraw/zinc/39/96/64/951399664.db2.gz KINXALSNRITIAN-VIFPVBQESA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575043587 951399653 /nfs/dbraw/zinc/39/96/53/951399653.db2.gz KINXALSNRITIAN-VIFPVBQESA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044248 951410374 /nfs/dbraw/zinc/41/03/74/951410374.db2.gz YFTWKBWHHUGNPW-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044248 951410367 /nfs/dbraw/zinc/41/03/67/951410367.db2.gz YFTWKBWHHUGNPW-JTQLQIEISA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044250 951410132 /nfs/dbraw/zinc/41/01/32/951410132.db2.gz YFTWKBWHHUGNPW-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044250 951410123 /nfs/dbraw/zinc/41/01/23/951410123.db2.gz YFTWKBWHHUGNPW-SNVBAGLBSA-N -1 3 384.400 -0.216 20 0 GBADHM C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575044389 951416524 /nfs/dbraw/zinc/41/65/24/951416524.db2.gz ZNJQMFQQAKNQDS-MRVPVSSYSA-N -1 3 388.367 -0.687 20 0 GBADHM C[C@H](CNC(=O)c1cn(CC(N)=O)nn1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575044389 951416518 /nfs/dbraw/zinc/41/65/18/951416518.db2.gz ZNJQMFQQAKNQDS-MRVPVSSYSA-N -1 3 388.367 -0.687 20 0 GBADHM C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)Nc1cccc(F)c1-c1nn[n-]n1 ZINC001575044392 951415126 /nfs/dbraw/zinc/41/51/26/951415126.db2.gz ZNJQMFQQAKNQDS-QMMMGPOBSA-N -1 3 388.367 -0.687 20 0 GBADHM C[C@@H](CNC(=O)c1cn(CC(N)=O)nn1)Nc1cccc(F)c1-c1nnn[n-]1 ZINC001575044392 951415118 /nfs/dbraw/zinc/41/51/18/951415118.db2.gz ZNJQMFQQAKNQDS-QMMMGPOBSA-N -1 3 388.367 -0.687 20 0 GBADHM C[C@H](CNC(=O)c1cn2cccnc2n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044656 951418584 /nfs/dbraw/zinc/41/85/84/951418584.db2.gz UQDZFVYXCADSMZ-SECBINFHSA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@H](CNC(=O)c1cn2cccnc2n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044656 951418579 /nfs/dbraw/zinc/41/85/79/951418579.db2.gz UQDZFVYXCADSMZ-SECBINFHSA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1cn2cccnc2n1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044657 951418619 /nfs/dbraw/zinc/41/86/19/951418619.db2.gz UQDZFVYXCADSMZ-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1cn2cccnc2n1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044657 951418603 /nfs/dbraw/zinc/41/86/03/951418603.db2.gz UQDZFVYXCADSMZ-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044906 951419532 /nfs/dbraw/zinc/41/95/32/951419532.db2.gz XEPPVVGNABETJM-SECBINFHSA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044906 951419523 /nfs/dbraw/zinc/41/95/23/951419523.db2.gz XEPPVVGNABETJM-SECBINFHSA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575044907 951420423 /nfs/dbraw/zinc/42/04/23/951420423.db2.gz XEPPVVGNABETJM-VIFPVBQESA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575044907 951420415 /nfs/dbraw/zinc/42/04/15/951420415.db2.gz XEPPVVGNABETJM-VIFPVBQESA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575045140 951425809 /nfs/dbraw/zinc/42/58/09/951425809.db2.gz ZYWGOYHFJLEZTR-SECBINFHSA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575045140 951425804 /nfs/dbraw/zinc/42/58/04/951425804.db2.gz ZYWGOYHFJLEZTR-SECBINFHSA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575045141 951425647 /nfs/dbraw/zinc/42/56/47/951425647.db2.gz ZYWGOYHFJLEZTR-VIFPVBQESA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575045141 951425642 /nfs/dbraw/zinc/42/56/42/951425642.db2.gz ZYWGOYHFJLEZTR-VIFPVBQESA-N -1 3 384.404 -0.401 20 0 GBADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575045769 951433818 /nfs/dbraw/zinc/43/38/18/951433818.db2.gz HJSXGGHMTKZYSA-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575045769 951433811 /nfs/dbraw/zinc/43/38/11/951433811.db2.gz HJSXGGHMTKZYSA-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575045771 951432778 /nfs/dbraw/zinc/43/27/78/951432778.db2.gz HJSXGGHMTKZYSA-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575045771 951432770 /nfs/dbraw/zinc/43/27/70/951432770.db2.gz HJSXGGHMTKZYSA-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575045799 951433985 /nfs/dbraw/zinc/43/39/85/951433985.db2.gz HXXAUPLJZHAOCM-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575045799 951433976 /nfs/dbraw/zinc/43/39/76/951433976.db2.gz HXXAUPLJZHAOCM-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575045801 951433960 /nfs/dbraw/zinc/43/39/60/951433960.db2.gz HXXAUPLJZHAOCM-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575045801 951433953 /nfs/dbraw/zinc/43/39/53/951433953.db2.gz HXXAUPLJZHAOCM-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575047001 951452284 /nfs/dbraw/zinc/45/22/84/951452284.db2.gz WYRPWRKWFUWZHW-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@H](CNC(=O)c1cnc2n1CCOC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575047001 951452280 /nfs/dbraw/zinc/45/22/80/951452280.db2.gz WYRPWRKWFUWZHW-SECBINFHSA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575047002 951452349 /nfs/dbraw/zinc/45/23/49/951452349.db2.gz WYRPWRKWFUWZHW-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@@H](CNC(=O)c1cnc2n1CCOC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575047002 951452340 /nfs/dbraw/zinc/45/23/40/951452340.db2.gz WYRPWRKWFUWZHW-VIFPVBQESA-N -1 3 385.388 -0.530 20 0 GBADHM C[C@H](CNC(=O)c1cnn(CCF)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575053737 951484051 /nfs/dbraw/zinc/48/40/51/951484051.db2.gz DLIOPAHJCJATRK-SECBINFHSA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@H](CNC(=O)c1cnn(CCF)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575053737 951484045 /nfs/dbraw/zinc/48/40/45/951484045.db2.gz DLIOPAHJCJATRK-SECBINFHSA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575053739 951483055 /nfs/dbraw/zinc/48/30/55/951483055.db2.gz DLIOPAHJCJATRK-VIFPVBQESA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575053739 951483045 /nfs/dbraw/zinc/48/30/45/951483045.db2.gz DLIOPAHJCJATRK-VIFPVBQESA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575055092 951499753 /nfs/dbraw/zinc/49/97/53/951499753.db2.gz NPRYDHIDXGKRMM-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575055092 951499751 /nfs/dbraw/zinc/49/97/51/951499751.db2.gz NPRYDHIDXGKRMM-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575055094 951499796 /nfs/dbraw/zinc/49/97/96/951499796.db2.gz NPRYDHIDXGKRMM-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575055094 951499793 /nfs/dbraw/zinc/49/97/93/951499793.db2.gz NPRYDHIDXGKRMM-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cnn(CCF)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575055097 951499397 /nfs/dbraw/zinc/49/93/97/951499397.db2.gz NSOVUABWKKRNHN-SECBINFHSA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@H](CNC(=O)c1cnn(CCF)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575055097 951499391 /nfs/dbraw/zinc/49/93/91/951499391.db2.gz NSOVUABWKKRNHN-SECBINFHSA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575055099 951499594 /nfs/dbraw/zinc/49/95/94/951499594.db2.gz NSOVUABWKKRNHN-VIFPVBQESA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575055099 951499591 /nfs/dbraw/zinc/49/95/91/951499591.db2.gz NSOVUABWKKRNHN-VIFPVBQESA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@H](CNC(=O)c1cnn(CCF)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575055237 951502334 /nfs/dbraw/zinc/50/23/34/951502334.db2.gz OPJZXFVXYKMIPH-SECBINFHSA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@H](CNC(=O)c1cnn(CCF)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575055237 951502327 /nfs/dbraw/zinc/50/23/27/951502327.db2.gz OPJZXFVXYKMIPH-SECBINFHSA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575055238 951501709 /nfs/dbraw/zinc/50/17/09/951501709.db2.gz OPJZXFVXYKMIPH-VIFPVBQESA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@@H](CNC(=O)c1cnn(CCF)c1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575055238 951501695 /nfs/dbraw/zinc/50/16/95/951501695.db2.gz OPJZXFVXYKMIPH-VIFPVBQESA-N -1 3 375.368 -0.091 20 0 GBADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575055564 951510235 /nfs/dbraw/zinc/51/02/35/951510235.db2.gz XHOXWVIAKUMRAM-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575055564 951510231 /nfs/dbraw/zinc/51/02/31/951510231.db2.gz XHOXWVIAKUMRAM-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575055565 951509474 /nfs/dbraw/zinc/50/94/74/951509474.db2.gz XHOXWVIAKUMRAM-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575055565 951509464 /nfs/dbraw/zinc/50/94/64/951509464.db2.gz XHOXWVIAKUMRAM-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575055586 951510349 /nfs/dbraw/zinc/51/03/49/951510349.db2.gz XWEPVJYTEDNDRV-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cnn2c1OCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575055586 951510346 /nfs/dbraw/zinc/51/03/46/951510346.db2.gz XWEPVJYTEDNDRV-SECBINFHSA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575055587 951509573 /nfs/dbraw/zinc/50/95/73/951509573.db2.gz XWEPVJYTEDNDRV-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@@H](CNC(=O)c1cnn2c1OCCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575055587 951509564 /nfs/dbraw/zinc/50/95/64/951509564.db2.gz XWEPVJYTEDNDRV-VIFPVBQESA-N -1 3 385.388 -0.278 20 0 GBADHM C[C@H](CNC(=O)c1cnn2ccncc12)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575055650 951512936 /nfs/dbraw/zinc/51/29/36/951512936.db2.gz YXRLWYKPOHGFCS-SECBINFHSA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@H](CNC(=O)c1cnn2ccncc12)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575055650 951512932 /nfs/dbraw/zinc/51/29/32/951512932.db2.gz YXRLWYKPOHGFCS-SECBINFHSA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1cnn2ccncc12)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575055651 951511499 /nfs/dbraw/zinc/51/14/99/951511499.db2.gz YXRLWYKPOHGFCS-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@@H](CNC(=O)c1cnn2ccncc12)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575055651 951511492 /nfs/dbraw/zinc/51/14/92/951511492.db2.gz YXRLWYKPOHGFCS-VIFPVBQESA-N -1 3 380.372 -0.214 20 0 GBADHM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575062383 951568864 /nfs/dbraw/zinc/56/88/64/951568864.db2.gz VPJDYNJHFLCEPW-SECBINFHSA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575062383 951568855 /nfs/dbraw/zinc/56/88/55/951568855.db2.gz VPJDYNJHFLCEPW-SECBINFHSA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575062383 951568846 /nfs/dbraw/zinc/56/88/46/951568846.db2.gz VPJDYNJHFLCEPW-SECBINFHSA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575062383 951568839 /nfs/dbraw/zinc/56/88/39/951568839.db2.gz VPJDYNJHFLCEPW-SECBINFHSA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)[N@@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575062385 951569724 /nfs/dbraw/zinc/56/97/24/951569724.db2.gz VPJDYNJHFLCEPW-VIFPVBQESA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)[N@H+](C)Cc1ccccc1-c1nn[n-]n1 ZINC001575062385 951569718 /nfs/dbraw/zinc/56/97/18/951569718.db2.gz VPJDYNJHFLCEPW-VIFPVBQESA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)[N@@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575062385 951569714 /nfs/dbraw/zinc/56/97/14/951569714.db2.gz VPJDYNJHFLCEPW-VIFPVBQESA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)[N@H+](C)Cc1ccccc1-c1nnn[n-]1 ZINC001575062385 951569710 /nfs/dbraw/zinc/56/97/10/951569710.db2.gz VPJDYNJHFLCEPW-VIFPVBQESA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@@H](CNC(=O)c1nc2ncccn2n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575062514 951572091 /nfs/dbraw/zinc/57/20/91/951572091.db2.gz XBCFDBNBEAGQHU-JTQLQIEISA-N -1 3 379.388 -0.046 20 0 GBADHM C[C@@H](CNC(=O)c1nc2ncccn2n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575062514 951572084 /nfs/dbraw/zinc/57/20/84/951572084.db2.gz XBCFDBNBEAGQHU-JTQLQIEISA-N -1 3 379.388 -0.046 20 0 GBADHM C[C@H](CNC(=O)c1nc2ncccn2n1)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575062516 951570520 /nfs/dbraw/zinc/57/05/20/951570520.db2.gz XBCFDBNBEAGQHU-SNVBAGLBSA-N -1 3 379.388 -0.046 20 0 GBADHM C[C@H](CNC(=O)c1nc2ncccn2n1)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575062516 951570515 /nfs/dbraw/zinc/57/05/15/951570515.db2.gz XBCFDBNBEAGQHU-SNVBAGLBSA-N -1 3 379.388 -0.046 20 0 GBADHM C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575064890 951579294 /nfs/dbraw/zinc/57/92/94/951579294.db2.gz FBHKRQUWXMTCCU-SSDOTTSWSA-N -1 3 377.800 -0.307 20 0 GBADHM C[C@H](CNC(=O)c1nnn(C)n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575064890 951579285 /nfs/dbraw/zinc/57/92/85/951579285.db2.gz FBHKRQUWXMTCCU-SSDOTTSWSA-N -1 3 377.800 -0.307 20 0 GBADHM C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001575064902 951578246 /nfs/dbraw/zinc/57/82/46/951578246.db2.gz FBHKRQUWXMTCCU-ZETCQYMHSA-N -1 3 377.800 -0.307 20 0 GBADHM C[C@@H](CNC(=O)c1nnn(C)n1)N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001575064902 951578239 /nfs/dbraw/zinc/57/82/39/951578239.db2.gz FBHKRQUWXMTCCU-ZETCQYMHSA-N -1 3 377.800 -0.307 20 0 GBADHM C[C@H](CNC(=O)c1noc2c1COCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575065882 951590563 /nfs/dbraw/zinc/59/05/63/951590563.db2.gz JBWANWRGAZKZLH-MRVPVSSYSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@H](CNC(=O)c1noc2c1COCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575065882 951590556 /nfs/dbraw/zinc/59/05/56/951590556.db2.gz JBWANWRGAZKZLH-MRVPVSSYSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@@H](CNC(=O)c1noc2c1COCC2)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575065885 951590085 /nfs/dbraw/zinc/59/00/85/951590085.db2.gz JBWANWRGAZKZLH-QMMMGPOBSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@@H](CNC(=O)c1noc2c1COCC2)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575065885 951590072 /nfs/dbraw/zinc/59/00/72/951590072.db2.gz JBWANWRGAZKZLH-QMMMGPOBSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@H](CNC(=O)c1noc2c1COCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575065889 951590271 /nfs/dbraw/zinc/59/02/71/951590271.db2.gz JEHOOVDABBVRTP-MRVPVSSYSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@H](CNC(=O)c1noc2c1COCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575065889 951590260 /nfs/dbraw/zinc/59/02/60/951590260.db2.gz JEHOOVDABBVRTP-MRVPVSSYSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@@H](CNC(=O)c1noc2c1COCC2)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575065893 951589644 /nfs/dbraw/zinc/58/96/44/951589644.db2.gz JEHOOVDABBVRTP-QMMMGPOBSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@@H](CNC(=O)c1noc2c1COCC2)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575065893 951589632 /nfs/dbraw/zinc/58/96/32/951589632.db2.gz JEHOOVDABBVRTP-QMMMGPOBSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@@H](CNC(=O)c1nnn(C)n1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575065970 951589589 /nfs/dbraw/zinc/58/95/89/951589589.db2.gz JJBUDXHRYHOWRN-SSDOTTSWSA-N -1 3 377.800 -0.083 20 0 GBADHM C[C@@H](CNC(=O)c1nnn(C)n1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575065970 951589583 /nfs/dbraw/zinc/58/95/83/951589583.db2.gz JJBUDXHRYHOWRN-SSDOTTSWSA-N -1 3 377.800 -0.083 20 0 GBADHM C[C@H](CNC(=O)c1nnn(C)n1)CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001575065973 951589768 /nfs/dbraw/zinc/58/97/68/951589768.db2.gz JJBUDXHRYHOWRN-ZETCQYMHSA-N -1 3 377.800 -0.083 20 0 GBADHM C[C@H](CNC(=O)c1nnn(C)n1)CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001575065973 951589761 /nfs/dbraw/zinc/58/97/61/951589761.db2.gz JJBUDXHRYHOWRN-ZETCQYMHSA-N -1 3 377.800 -0.083 20 0 GBADHM C[C@H](CNC(=O)c1noc2c1COCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575066468 951597615 /nfs/dbraw/zinc/59/76/15/951597615.db2.gz MMJMOXJFNXSQKS-MRVPVSSYSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@H](CNC(=O)c1noc2c1COCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575066468 951597606 /nfs/dbraw/zinc/59/76/06/951597606.db2.gz MMJMOXJFNXSQKS-MRVPVSSYSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@@H](CNC(=O)c1noc2c1COCC2)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575066470 951597730 /nfs/dbraw/zinc/59/77/30/951597730.db2.gz MMJMOXJFNXSQKS-QMMMGPOBSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@@H](CNC(=O)c1noc2c1COCC2)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575066470 951597720 /nfs/dbraw/zinc/59/77/20/951597720.db2.gz MMJMOXJFNXSQKS-QMMMGPOBSA-N -1 3 386.372 -0.196 20 0 GBADHM C[C@H](CNC(=O)c1nccnc1C(N)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575067716 951621866 /nfs/dbraw/zinc/62/18/66/951621866.db2.gz OSIPIJJDDYMNOA-SECBINFHSA-N -1 3 382.388 -0.595 20 0 GBADHM C[C@H](CNC(=O)c1nccnc1C(N)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575067716 951621859 /nfs/dbraw/zinc/62/18/59/951621859.db2.gz OSIPIJJDDYMNOA-SECBINFHSA-N -1 3 382.388 -0.595 20 0 GBADHM C[C@@H](CNC(=O)c1nccnc1C(N)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575067717 951621071 /nfs/dbraw/zinc/62/10/71/951621071.db2.gz OSIPIJJDDYMNOA-VIFPVBQESA-N -1 3 382.388 -0.595 20 0 GBADHM C[C@@H](CNC(=O)c1nccnc1C(N)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575067717 951621064 /nfs/dbraw/zinc/62/10/64/951621064.db2.gz OSIPIJJDDYMNOA-VIFPVBQESA-N -1 3 382.388 -0.595 20 0 GBADHM C[C@H](CNC(=O)c1nccnc1C(N)=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575068096 951629122 /nfs/dbraw/zinc/62/91/22/951629122.db2.gz XKLZCVUGTRFGDX-SECBINFHSA-N -1 3 382.388 -0.595 20 0 GBADHM C[C@H](CNC(=O)c1nccnc1C(N)=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575068096 951629118 /nfs/dbraw/zinc/62/91/18/951629118.db2.gz XKLZCVUGTRFGDX-SECBINFHSA-N -1 3 382.388 -0.595 20 0 GBADHM C[C@@H](CNC(=O)c1nccnc1C(N)=O)N(C)c1ncccc1-c1nn[n-]n1 ZINC001575068097 951629444 /nfs/dbraw/zinc/62/94/44/951629444.db2.gz XKLZCVUGTRFGDX-VIFPVBQESA-N -1 3 382.388 -0.595 20 0 GBADHM C[C@@H](CNC(=O)c1nccnc1C(N)=O)N(C)c1ncccc1-c1nnn[n-]1 ZINC001575068097 951629440 /nfs/dbraw/zinc/62/94/40/951629440.db2.gz XKLZCVUGTRFGDX-VIFPVBQESA-N -1 3 382.388 -0.595 20 0 GBADHM C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575091191 951769451 /nfs/dbraw/zinc/76/94/51/951769451.db2.gz QBGUOHNPCYZIJS-SECBINFHSA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575091191 951769449 /nfs/dbraw/zinc/76/94/49/951769449.db2.gz QBGUOHNPCYZIJS-SECBINFHSA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)cc1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575091192 951770143 /nfs/dbraw/zinc/77/01/43/951770143.db2.gz QBGUOHNPCYZIJS-VIFPVBQESA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)cc1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575091192 951770134 /nfs/dbraw/zinc/77/01/34/951770134.db2.gz QBGUOHNPCYZIJS-VIFPVBQESA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105249 951892357 /nfs/dbraw/zinc/89/23/57/951892357.db2.gz IIEPHXXCJLKKRZ-JTQLQIEISA-N -1 3 387.404 -0.589 20 0 GBADHM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C[NH2+]Cc1cccc(-c2nnn[n-]2)c1 ZINC001575105250 951891389 /nfs/dbraw/zinc/89/13/89/951891389.db2.gz IIEPHXXCJLKKRZ-SNVBAGLBSA-N -1 3 387.404 -0.589 20 0 GBADHM C[C@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575114011 951951637 /nfs/dbraw/zinc/95/16/37/951951637.db2.gz KJUSHODUAUGMND-SECBINFHSA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575114011 951951634 /nfs/dbraw/zinc/95/16/34/951951634.db2.gz KJUSHODUAUGMND-SECBINFHSA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@@H](C[NH2+]Cc1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575114012 951950992 /nfs/dbraw/zinc/95/09/92/951950992.db2.gz KJUSHODUAUGMND-VIFPVBQESA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@@H](C[NH2+]Cc1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001575114012 951950986 /nfs/dbraw/zinc/95/09/86/951950986.db2.gz KJUSHODUAUGMND-VIFPVBQESA-N -1 3 385.388 -0.287 20 0 GBADHM C[C@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114265 951953985 /nfs/dbraw/zinc/95/39/85/951953985.db2.gz NYRWMRBUCQZFBD-JTQLQIEISA-N -1 3 387.404 -0.589 20 0 GBADHM C[C@@H](CNC(=O)Cn1c(=O)[n-][nH]c1=O)C[NH2+]Cc1ccccc1-c1nnn[n-]1 ZINC001575114266 951954590 /nfs/dbraw/zinc/95/45/90/951954590.db2.gz NYRWMRBUCQZFBD-SNVBAGLBSA-N -1 3 387.404 -0.589 20 0 GBADHM C[C@@H](CNCc1nnc2n1CCOC2)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575116179 951968347 /nfs/dbraw/zinc/96/83/47/951968347.db2.gz AROOYMSACRJFFA-JTQLQIEISA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@H](CNCc1nnc2n1CCOC2)N(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575116182 951967872 /nfs/dbraw/zinc/96/78/72/951967872.db2.gz AROOYMSACRJFFA-SNVBAGLBSA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@@H](CNCc1nnc2n1CCOC2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575117445 951979639 /nfs/dbraw/zinc/97/96/39/951979639.db2.gz NYLNSKAYMKAWTO-JTQLQIEISA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@H](CNCc1nnc2n1CCOC2)N(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575117446 951979878 /nfs/dbraw/zinc/97/98/78/951979878.db2.gz NYLNSKAYMKAWTO-SNVBAGLBSA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@@H](CNCc1nnc2n1CCOC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575117710 951982635 /nfs/dbraw/zinc/98/26/35/951982635.db2.gz OZBIIKIRLMFTCT-JTQLQIEISA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@@H](CNCc1nnc2n1CCOC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575117710 951982629 /nfs/dbraw/zinc/98/26/29/951982629.db2.gz OZBIIKIRLMFTCT-JTQLQIEISA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@H](CNCc1nnc2n1CCOC2)N(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575117711 951981083 /nfs/dbraw/zinc/98/10/83/951981083.db2.gz OZBIIKIRLMFTCT-SNVBAGLBSA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@H](CNCc1nnc2n1CCOC2)N(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575117711 951981073 /nfs/dbraw/zinc/98/10/73/951981073.db2.gz OZBIIKIRLMFTCT-SNVBAGLBSA-N -1 3 386.420 -0.433 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575121105 951992851 /nfs/dbraw/zinc/99/28/51/951992851.db2.gz BHYMEJDHBYSLHB-JTQLQIEISA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575121105 951992849 /nfs/dbraw/zinc/99/28/49/951992849.db2.gz BHYMEJDHBYSLHB-JTQLQIEISA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575121106 951992873 /nfs/dbraw/zinc/99/28/73/951992873.db2.gz BHYMEJDHBYSLHB-SNVBAGLBSA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575121106 951992870 /nfs/dbraw/zinc/99/28/70/951992870.db2.gz BHYMEJDHBYSLHB-SNVBAGLBSA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575121747 951998159 /nfs/dbraw/zinc/99/81/59/951998159.db2.gz GVYOMHJXSMBVSK-GFCCVEGCSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575121747 951998156 /nfs/dbraw/zinc/99/81/56/951998156.db2.gz GVYOMHJXSMBVSK-GFCCVEGCSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575121748 951998877 /nfs/dbraw/zinc/99/88/77/951998877.db2.gz GVYOMHJXSMBVSK-LBPRGKRZSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575121748 951998874 /nfs/dbraw/zinc/99/88/74/951998874.db2.gz GVYOMHJXSMBVSK-LBPRGKRZSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575121749 951998961 /nfs/dbraw/zinc/99/89/61/951998961.db2.gz GXPPSIVQRXJQQX-JTQLQIEISA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575121749 951998959 /nfs/dbraw/zinc/99/89/59/951998959.db2.gz GXPPSIVQRXJQQX-JTQLQIEISA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575121750 951998999 /nfs/dbraw/zinc/99/89/99/951998999.db2.gz GXPPSIVQRXJQQX-SNVBAGLBSA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575121750 951998997 /nfs/dbraw/zinc/99/89/97/951998997.db2.gz GXPPSIVQRXJQQX-SNVBAGLBSA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575122593 952004300 /nfs/dbraw/zinc/00/43/00/952004300.db2.gz LTZFUWYCFZCFDY-LLVKDONJSA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575122593 952004291 /nfs/dbraw/zinc/00/42/91/952004291.db2.gz LTZFUWYCFZCFDY-LLVKDONJSA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575122594 952005595 /nfs/dbraw/zinc/00/55/95/952005595.db2.gz LTZFUWYCFZCFDY-NSHDSACASA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575122594 952005591 /nfs/dbraw/zinc/00/55/91/952005591.db2.gz LTZFUWYCFZCFDY-NSHDSACASA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CCNS(C)(=O)=O ZINC001575122697 952004561 /nfs/dbraw/zinc/00/45/61/952004561.db2.gz MUIQTZZUOHSHOZ-JTQLQIEISA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CCNS(C)(=O)=O ZINC001575122697 952004552 /nfs/dbraw/zinc/00/45/52/952004552.db2.gz MUIQTZZUOHSHOZ-JTQLQIEISA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CCNS(C)(=O)=O ZINC001575122698 952004801 /nfs/dbraw/zinc/00/48/01/952004801.db2.gz MUIQTZZUOHSHOZ-SNVBAGLBSA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CCNS(C)(=O)=O ZINC001575122698 952004794 /nfs/dbraw/zinc/00/47/94/952004794.db2.gz MUIQTZZUOHSHOZ-SNVBAGLBSA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575123011 952009463 /nfs/dbraw/zinc/00/94/63/952009463.db2.gz NEQVKRAHVOXQDZ-JTQLQIEISA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575123011 952009453 /nfs/dbraw/zinc/00/94/53/952009453.db2.gz NEQVKRAHVOXQDZ-JTQLQIEISA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575123013 952008902 /nfs/dbraw/zinc/00/89/02/952008902.db2.gz NEQVKRAHVOXQDZ-SNVBAGLBSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575123013 952008893 /nfs/dbraw/zinc/00/88/93/952008893.db2.gz NEQVKRAHVOXQDZ-SNVBAGLBSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575123521 952015048 /nfs/dbraw/zinc/01/50/48/952015048.db2.gz AFECBYMYUIHDIZ-LLVKDONJSA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575123521 952015043 /nfs/dbraw/zinc/01/50/43/952015043.db2.gz AFECBYMYUIHDIZ-LLVKDONJSA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575123522 952013662 /nfs/dbraw/zinc/01/36/62/952013662.db2.gz AFECBYMYUIHDIZ-NSHDSACASA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575123522 952013655 /nfs/dbraw/zinc/01/36/55/952013655.db2.gz AFECBYMYUIHDIZ-NSHDSACASA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1nncn1C ZINC001575124134 952025116 /nfs/dbraw/zinc/02/51/16/952025116.db2.gz RKOKXZGYYMYOPE-LLVKDONJSA-N -1 3 386.420 -0.134 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1nncn1C ZINC001575124134 952025105 /nfs/dbraw/zinc/02/51/05/952025105.db2.gz RKOKXZGYYMYOPE-LLVKDONJSA-N -1 3 386.420 -0.134 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)N(C)C(=O)COCc1nncn1C ZINC001575124135 952025510 /nfs/dbraw/zinc/02/55/10/952025510.db2.gz RKOKXZGYYMYOPE-NSHDSACASA-N -1 3 386.420 -0.134 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)N(C)C(=O)COCc1nncn1C ZINC001575124135 952025498 /nfs/dbraw/zinc/02/54/98/952025498.db2.gz RKOKXZGYYMYOPE-NSHDSACASA-N -1 3 386.420 -0.134 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575124738 952034420 /nfs/dbraw/zinc/03/44/20/952034420.db2.gz KIJFGRVRSISBTK-GHMZBOCLSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575124738 952034413 /nfs/dbraw/zinc/03/44/13/952034413.db2.gz KIJFGRVRSISBTK-GHMZBOCLSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575124741 952034242 /nfs/dbraw/zinc/03/42/42/952034242.db2.gz KIJFGRVRSISBTK-MNOVXSKESA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575124741 952034235 /nfs/dbraw/zinc/03/42/35/952034235.db2.gz KIJFGRVRSISBTK-MNOVXSKESA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575124743 952035010 /nfs/dbraw/zinc/03/50/10/952035010.db2.gz KIJFGRVRSISBTK-QWRGUYRKSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575124743 952035005 /nfs/dbraw/zinc/03/50/05/952035005.db2.gz KIJFGRVRSISBTK-QWRGUYRKSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575124744 952033269 /nfs/dbraw/zinc/03/32/69/952033269.db2.gz KIJFGRVRSISBTK-WDEREUQCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575124744 952033262 /nfs/dbraw/zinc/03/32/62/952033262.db2.gz KIJFGRVRSISBTK-WDEREUQCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001575124757 952034748 /nfs/dbraw/zinc/03/47/48/952034748.db2.gz KOBBCMCMTDQPOU-BXKDBHETSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001575124757 952034738 /nfs/dbraw/zinc/03/47/38/952034738.db2.gz KOBBCMCMTDQPOU-BXKDBHETSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001575124758 952034882 /nfs/dbraw/zinc/03/48/82/952034882.db2.gz KOBBCMCMTDQPOU-CABZTGNLSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001575124758 952034876 /nfs/dbraw/zinc/03/48/76/952034876.db2.gz KOBBCMCMTDQPOU-CABZTGNLSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001575124760 952034529 /nfs/dbraw/zinc/03/45/29/952034529.db2.gz KOBBCMCMTDQPOU-JOYOIKCWSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@H]1CCS(=O)(=O)N1 ZINC001575124760 952034522 /nfs/dbraw/zinc/03/45/22/952034522.db2.gz KOBBCMCMTDQPOU-JOYOIKCWSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001575124762 952034203 /nfs/dbraw/zinc/03/42/03/952034203.db2.gz KOBBCMCMTDQPOU-SKDRFNHKSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001575124762 952034196 /nfs/dbraw/zinc/03/41/96/952034196.db2.gz KOBBCMCMTDQPOU-SKDRFNHKSA-N -1 3 380.434 -0.788 20 0 GBADHM 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C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575129055 952075657 /nfs/dbraw/zinc/07/56/57/952075657.db2.gz PUWRVJILDYAXIO-SNVBAGLBSA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575129055 952075648 /nfs/dbraw/zinc/07/56/48/952075648.db2.gz PUWRVJILDYAXIO-SNVBAGLBSA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001575129200 952077648 /nfs/dbraw/zinc/07/76/48/952077648.db2.gz QWEXQZDTFLSNST-JTQLQIEISA-N -1 3 387.404 -0.538 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001575129200 952077633 /nfs/dbraw/zinc/07/76/33/952077633.db2.gz QWEXQZDTFLSNST-JTQLQIEISA-N -1 3 387.404 -0.538 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001575129201 952077439 /nfs/dbraw/zinc/07/74/39/952077439.db2.gz QWEXQZDTFLSNST-SNVBAGLBSA-N -1 3 387.404 -0.538 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001575129201 952077433 /nfs/dbraw/zinc/07/74/33/952077433.db2.gz QWEXQZDTFLSNST-SNVBAGLBSA-N -1 3 387.404 -0.538 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1nccnc1C(N)=O ZINC001575129262 952078775 /nfs/dbraw/zinc/07/87/75/952078775.db2.gz SERXOICYAXBNMN-SECBINFHSA-N -1 3 382.388 -0.277 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1nccnc1C(N)=O ZINC001575129262 952078765 /nfs/dbraw/zinc/07/87/65/952078765.db2.gz SERXOICYAXBNMN-SECBINFHSA-N -1 3 382.388 -0.277 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)c1nccnc1C(N)=O ZINC001575129263 952079603 /nfs/dbraw/zinc/07/96/03/952079603.db2.gz SERXOICYAXBNMN-VIFPVBQESA-N -1 3 382.388 -0.277 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)c1nccnc1C(N)=O ZINC001575129263 952079597 /nfs/dbraw/zinc/07/95/97/952079597.db2.gz SERXOICYAXBNMN-VIFPVBQESA-N -1 3 382.388 -0.277 20 0 GBADHM C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575129518 952081601 /nfs/dbraw/zinc/08/16/01/952081601.db2.gz UPGQVHXSIJCMRR-JTQLQIEISA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575129518 952081595 /nfs/dbraw/zinc/08/15/95/952081595.db2.gz UPGQVHXSIJCMRR-JTQLQIEISA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575129519 952081301 /nfs/dbraw/zinc/08/13/01/952081301.db2.gz UPGQVHXSIJCMRR-SNVBAGLBSA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575129519 952081293 /nfs/dbraw/zinc/08/12/93/952081293.db2.gz UPGQVHXSIJCMRR-SNVBAGLBSA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575135037 952114659 /nfs/dbraw/zinc/11/46/59/952114659.db2.gz JTGYWEOASDNRRM-LLVKDONJSA-N -1 3 390.423 -0.304 20 0 GBADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575135037 952114657 /nfs/dbraw/zinc/11/46/57/952114657.db2.gz JTGYWEOASDNRRM-LLVKDONJSA-N -1 3 390.423 -0.304 20 0 GBADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575135039 952114521 /nfs/dbraw/zinc/11/45/21/952114521.db2.gz JTGYWEOASDNRRM-NSHDSACASA-N -1 3 390.423 -0.304 20 0 GBADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)CN1CCNC(=O)C1 ZINC001575135039 952114515 /nfs/dbraw/zinc/11/45/15/952114515.db2.gz JTGYWEOASDNRRM-NSHDSACASA-N -1 3 390.423 -0.304 20 0 GBADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575135655 952119791 /nfs/dbraw/zinc/11/97/91/952119791.db2.gz MJOCTSGONNCSNW-JTQLQIEISA-N -1 3 389.395 -0.140 20 0 GBADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575135655 952119785 /nfs/dbraw/zinc/11/97/85/952119785.db2.gz MJOCTSGONNCSNW-JTQLQIEISA-N -1 3 389.395 -0.140 20 0 GBADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575135658 952119167 /nfs/dbraw/zinc/11/91/67/952119167.db2.gz MJOCTSGONNCSNW-SNVBAGLBSA-N -1 3 389.395 -0.140 20 0 GBADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575135658 952119161 /nfs/dbraw/zinc/11/91/61/952119161.db2.gz MJOCTSGONNCSNW-SNVBAGLBSA-N -1 3 389.395 -0.140 20 0 GBADHM C[C@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575137145 952135738 /nfs/dbraw/zinc/13/57/38/952135738.db2.gz VCSZWNLTCFQMLX-KCJUWKMLSA-N -1 3 390.379 -0.137 20 0 GBADHM C[C@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575137145 952135731 /nfs/dbraw/zinc/13/57/31/952135731.db2.gz VCSZWNLTCFQMLX-KCJUWKMLSA-N -1 3 390.379 -0.137 20 0 GBADHM C[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575137146 952136119 /nfs/dbraw/zinc/13/61/19/952136119.db2.gz VCSZWNLTCFQMLX-KWQFWETISA-N -1 3 390.379 -0.137 20 0 GBADHM C[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001575137146 952136116 /nfs/dbraw/zinc/13/61/16/952136116.db2.gz VCSZWNLTCFQMLX-KWQFWETISA-N -1 3 390.379 -0.137 20 0 GBADHM C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCN1CCOCC1 ZINC001575139695 952140791 /nfs/dbraw/zinc/14/07/91/952140791.db2.gz AQHQMRKPVAXOHV-GFCCVEGCSA-N -1 3 375.437 -0.940 20 0 GBADHM C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCN1CCOCC1 ZINC001575139696 952141036 /nfs/dbraw/zinc/14/10/36/952141036.db2.gz AQHQMRKPVAXOHV-LBPRGKRZSA-N -1 3 375.437 -0.940 20 0 GBADHM C[C@@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1nnc[nH]1)C1CC1 ZINC001575144858 952174405 /nfs/dbraw/zinc/17/44/05/952174405.db2.gz YNUGFROFVDHVCM-INIZCTEOSA-N -1 3 383.420 -0.474 20 0 GBADHM C[C@@](CNc1ccnc(-c2nnn[n-]2)n1)(NC(=O)CCc1nnc[nH]1)C1CC1 ZINC001575144858 952174402 /nfs/dbraw/zinc/17/44/02/952174402.db2.gz YNUGFROFVDHVCM-INIZCTEOSA-N -1 3 383.420 -0.474 20 0 GBADHM C[C@](CNc1ccnc(-c2nn[n-]n2)n1)(NC(=O)CCc1nnc[nH]1)C1CC1 ZINC001575144859 952174302 /nfs/dbraw/zinc/17/43/02/952174302.db2.gz YNUGFROFVDHVCM-MRXNPFEDSA-N -1 3 383.420 -0.474 20 0 GBADHM C[C@](CNc1ccnc(-c2nnn[n-]2)n1)(NC(=O)CCc1nnc[nH]1)C1CC1 ZINC001575144859 952174298 /nfs/dbraw/zinc/17/42/98/952174298.db2.gz YNUGFROFVDHVCM-MRXNPFEDSA-N -1 3 383.420 -0.474 20 0 GBADHM C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCN1CCOCC1 ZINC001575154014 952216804 /nfs/dbraw/zinc/21/68/04/952216804.db2.gz NRQUKJVBIAADMC-GFCCVEGCSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCN1CCOCC1 ZINC001575154014 952216802 /nfs/dbraw/zinc/21/68/02/952216802.db2.gz NRQUKJVBIAADMC-GFCCVEGCSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)CCN1CCOCC1 ZINC001575154015 952216384 /nfs/dbraw/zinc/21/63/84/952216384.db2.gz NRQUKJVBIAADMC-LBPRGKRZSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)CCN1CCOCC1 ZINC001575154015 952216377 /nfs/dbraw/zinc/21/63/77/952216377.db2.gz NRQUKJVBIAADMC-LBPRGKRZSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCN1CCOCC1 ZINC001575158005 952269453 /nfs/dbraw/zinc/26/94/53/952269453.db2.gz QWCIOAPBGHMNJI-GFCCVEGCSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCN1CCOCC1 ZINC001575158005 952269445 /nfs/dbraw/zinc/26/94/45/952269445.db2.gz QWCIOAPBGHMNJI-GFCCVEGCSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)CCN1CCOCC1 ZINC001575158006 952269191 /nfs/dbraw/zinc/26/91/91/952269191.db2.gz QWCIOAPBGHMNJI-LBPRGKRZSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)CCN1CCOCC1 ZINC001575158006 952269185 /nfs/dbraw/zinc/26/91/85/952269185.db2.gz QWCIOAPBGHMNJI-LBPRGKRZSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575163959 952283299 /nfs/dbraw/zinc/28/32/99/952283299.db2.gz GUUDOPSCGFQHGK-GZMMTYOYSA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575163959 952283291 /nfs/dbraw/zinc/28/32/91/952283291.db2.gz GUUDOPSCGFQHGK-GZMMTYOYSA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575163960 952283844 /nfs/dbraw/zinc/28/38/44/952283844.db2.gz GUUDOPSCGFQHGK-KCJUWKMLSA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575163960 952283840 /nfs/dbraw/zinc/28/38/40/952283840.db2.gz GUUDOPSCGFQHGK-KCJUWKMLSA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575163961 952283904 /nfs/dbraw/zinc/28/39/04/952283904.db2.gz GUUDOPSCGFQHGK-KWQFWETISA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@@H]1CN(C)C(=O)N1 ZINC001575163961 952283897 /nfs/dbraw/zinc/28/38/97/952283897.db2.gz GUUDOPSCGFQHGK-KWQFWETISA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575163964 952285827 /nfs/dbraw/zinc/28/58/27/952285827.db2.gz GUUDOPSCGFQHGK-LDYMZIIASA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CN(C)C(=O)N1 ZINC001575163964 952285819 /nfs/dbraw/zinc/28/58/19/952285819.db2.gz GUUDOPSCGFQHGK-LDYMZIIASA-N -1 3 377.384 -0.317 20 0 GBADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575164016 952285442 /nfs/dbraw/zinc/28/54/42/952285442.db2.gz HHSSCBONROAVHP-JFUSQASVSA-N -1 3 392.395 -0.308 20 0 GBADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575164016 952285432 /nfs/dbraw/zinc/28/54/32/952285432.db2.gz HHSSCBONROAVHP-JFUSQASVSA-N -1 3 392.395 -0.308 20 0 GBADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575164029 952285738 /nfs/dbraw/zinc/28/57/38/952285738.db2.gz HHSSCBONROAVHP-KPXOXKRLSA-N -1 3 392.395 -0.308 20 0 GBADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001575164029 952285733 /nfs/dbraw/zinc/28/57/33/952285733.db2.gz HHSSCBONROAVHP-KPXOXKRLSA-N -1 3 392.395 -0.308 20 0 GBADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575164061 952285370 /nfs/dbraw/zinc/28/53/70/952285370.db2.gz HRQDLECGXYUDAG-MRVPVSSYSA-N -1 3 383.409 -0.296 20 0 GBADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575164061 952285364 /nfs/dbraw/zinc/28/53/64/952285364.db2.gz HRQDLECGXYUDAG-MRVPVSSYSA-N -1 3 383.409 -0.296 20 0 GBADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575164063 952286274 /nfs/dbraw/zinc/28/62/74/952286274.db2.gz HRQDLECGXYUDAG-QMMMGPOBSA-N -1 3 383.409 -0.296 20 0 GBADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)C1CS(=O)(=O)C1 ZINC001575164063 952286266 /nfs/dbraw/zinc/28/62/66/952286266.db2.gz HRQDLECGXYUDAG-QMMMGPOBSA-N -1 3 383.409 -0.296 20 0 GBADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CCn1cnnn1 ZINC001575164179 952288463 /nfs/dbraw/zinc/28/84/63/952288463.db2.gz JDVXECMDQYHYIQ-SECBINFHSA-N -1 3 375.372 -0.264 20 0 GBADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CCn1cnnn1 ZINC001575164179 952288458 /nfs/dbraw/zinc/28/84/58/952288458.db2.gz JDVXECMDQYHYIQ-SECBINFHSA-N -1 3 375.372 -0.264 20 0 GBADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CCn1cnnn1 ZINC001575164180 952288703 /nfs/dbraw/zinc/28/87/03/952288703.db2.gz JDVXECMDQYHYIQ-VIFPVBQESA-N -1 3 375.372 -0.264 20 0 GBADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CCn1cnnn1 ZINC001575164180 952288696 /nfs/dbraw/zinc/28/86/96/952288696.db2.gz JDVXECMDQYHYIQ-VIFPVBQESA-N -1 3 375.372 -0.264 20 0 GBADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CN1CCOCC1=O ZINC001575164390 952291598 /nfs/dbraw/zinc/29/15/98/952291598.db2.gz KGLJOVAIRLMZJH-JTQLQIEISA-N -1 3 392.395 -0.482 20 0 GBADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CN1CCOCC1=O ZINC001575164390 952291590 /nfs/dbraw/zinc/29/15/90/952291590.db2.gz KGLJOVAIRLMZJH-JTQLQIEISA-N -1 3 392.395 -0.482 20 0 GBADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)CN1CCOCC1=O ZINC001575164391 952292218 /nfs/dbraw/zinc/29/22/18/952292218.db2.gz KGLJOVAIRLMZJH-SNVBAGLBSA-N -1 3 392.395 -0.482 20 0 GBADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)CN1CCOCC1=O ZINC001575164391 952292212 /nfs/dbraw/zinc/29/22/12/952292212.db2.gz KGLJOVAIRLMZJH-SNVBAGLBSA-N -1 3 392.395 -0.482 20 0 GBADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)Cn1ncnn1 ZINC001575164548 952295004 /nfs/dbraw/zinc/29/50/04/952295004.db2.gz FLTMEIMMQDGDGF-MRVPVSSYSA-N -1 3 377.800 -0.139 20 0 GBADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)Cn1ncnn1 ZINC001575164548 952295000 /nfs/dbraw/zinc/29/50/00/952295000.db2.gz FLTMEIMMQDGDGF-MRVPVSSYSA-N -1 3 377.800 -0.139 20 0 GBADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)N(C)C(=O)Cn1ncnn1 ZINC001575164549 952295590 /nfs/dbraw/zinc/29/55/90/952295590.db2.gz FLTMEIMMQDGDGF-QMMMGPOBSA-N -1 3 377.800 -0.139 20 0 GBADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)N(C)C(=O)Cn1ncnn1 ZINC001575164549 952295586 /nfs/dbraw/zinc/29/55/86/952295586.db2.gz FLTMEIMMQDGDGF-QMMMGPOBSA-N -1 3 377.800 -0.139 20 0 GBADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575164709 952297166 /nfs/dbraw/zinc/29/71/66/952297166.db2.gz NJJDCXBPYWVPHI-SECBINFHSA-N -1 3 390.383 -0.745 20 0 GBADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575164709 952297159 /nfs/dbraw/zinc/29/71/59/952297159.db2.gz NJJDCXBPYWVPHI-SECBINFHSA-N -1 3 390.383 -0.745 20 0 GBADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575164711 952297593 /nfs/dbraw/zinc/29/75/93/952297593.db2.gz NJJDCXBPYWVPHI-VIFPVBQESA-N -1 3 390.383 -0.745 20 0 GBADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)N(C)C(=O)Cn1ncn(C)c1=O ZINC001575164711 952297586 /nfs/dbraw/zinc/29/75/86/952297586.db2.gz NJJDCXBPYWVPHI-VIFPVBQESA-N -1 3 390.383 -0.745 20 0 GBADHM C[C@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575164812 952298444 /nfs/dbraw/zinc/29/84/44/952298444.db2.gz HYYVRSPSIFXCTR-BDJLRTHQSA-N -1 3 389.395 -0.221 20 0 GBADHM C[C@](CNc1ncc(-c2nnn[n-]2)cc1F)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575164812 952298439 /nfs/dbraw/zinc/29/84/39/952298439.db2.gz HYYVRSPSIFXCTR-BDJLRTHQSA-N -1 3 389.395 -0.221 20 0 GBADHM C[C@@](CNc1ncc(-c2nn[n-]n2)cc1F)(NC(=O)[C@H]1CNC(=O)N1)C1CC1 ZINC001575164814 952299057 /nfs/dbraw/zinc/29/90/57/952299057.db2.gz 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C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001575167005 952331638 /nfs/dbraw/zinc/33/16/38/952331638.db2.gz BSRXZOKVQZSIOI-ONGXEEELSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001575167005 952331631 /nfs/dbraw/zinc/33/16/31/952331631.db2.gz BSRXZOKVQZSIOI-ONGXEEELSA-N -1 3 380.434 -0.788 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001575167122 952331488 /nfs/dbraw/zinc/33/14/88/952331488.db2.gz CCDJPQSQSFKLER-JTQLQIEISA-N -1 3 387.404 -0.586 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001575167122 952331482 /nfs/dbraw/zinc/33/14/82/952331482.db2.gz CCDJPQSQSFKLER-JTQLQIEISA-N -1 3 387.404 -0.586 20 0 GBADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001575167123 952332343 /nfs/dbraw/zinc/33/23/43/952332343.db2.gz CCDJPQSQSFKLER-SNVBAGLBSA-N -1 3 387.404 -0.586 20 0 GBADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CN1CC(=O)N(C)C1=O ZINC001575167123 952332339 /nfs/dbraw/zinc/33/23/39/952332339.db2.gz CCDJPQSQSFKLER-SNVBAGLBSA-N -1 3 387.404 -0.586 20 0 GBADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575167146 952334227 /nfs/dbraw/zinc/33/42/27/952334227.db2.gz CSCADLOJAGKWMM-GHMZBOCLSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575167146 952334222 /nfs/dbraw/zinc/33/42/22/952334222.db2.gz CSCADLOJAGKWMM-GHMZBOCLSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575167147 952333423 /nfs/dbraw/zinc/33/34/23/952333423.db2.gz CSCADLOJAGKWMM-MNOVXSKESA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575167147 952333416 /nfs/dbraw/zinc/33/34/16/952333416.db2.gz CSCADLOJAGKWMM-MNOVXSKESA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575167148 952333062 /nfs/dbraw/zinc/33/30/62/952333062.db2.gz CSCADLOJAGKWMM-QWRGUYRKSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@H]1CCS(=O)(=O)C1 ZINC001575167148 952333052 /nfs/dbraw/zinc/33/30/52/952333052.db2.gz CSCADLOJAGKWMM-QWRGUYRKSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575167149 952334436 /nfs/dbraw/zinc/33/44/36/952334436.db2.gz CSCADLOJAGKWMM-WDEREUQCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001575167149 952334429 /nfs/dbraw/zinc/33/44/29/952334429.db2.gz CSCADLOJAGKWMM-WDEREUQCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575167577 952336672 /nfs/dbraw/zinc/33/66/72/952336672.db2.gz IHWYXJHOLXYOMK-LLVKDONJSA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575167577 952336665 /nfs/dbraw/zinc/33/66/65/952336665.db2.gz IHWYXJHOLXYOMK-LLVKDONJSA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575167578 952336608 /nfs/dbraw/zinc/33/66/08/952336608.db2.gz IHWYXJHOLXYOMK-NSHDSACASA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CCn1ncn(C)c1=O ZINC001575167578 952336601 /nfs/dbraw/zinc/33/66/01/952336601.db2.gz IHWYXJHOLXYOMK-NSHDSACASA-N -1 3 386.420 -0.494 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575167607 952337028 /nfs/dbraw/zinc/33/70/28/952337028.db2.gz ILKMJTXMSMEQFZ-JTQLQIEISA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575167607 952337022 /nfs/dbraw/zinc/33/70/22/952337022.db2.gz ILKMJTXMSMEQFZ-JTQLQIEISA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575167610 952337562 /nfs/dbraw/zinc/33/75/62/952337562.db2.gz ILKMJTXMSMEQFZ-SNVBAGLBSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CC1CS(=O)(=O)C1 ZINC001575167610 952337557 /nfs/dbraw/zinc/33/75/57/952337557.db2.gz ILKMJTXMSMEQFZ-SNVBAGLBSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001575168769 952342557 /nfs/dbraw/zinc/34/25/57/952342557.db2.gz MXWDNEHVNMXPLT-JTQLQIEISA-N -1 3 387.404 -0.538 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001575168769 952342547 /nfs/dbraw/zinc/34/25/47/952342547.db2.gz MXWDNEHVNMXPLT-JTQLQIEISA-N -1 3 387.404 -0.538 20 0 GBADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001575168771 952342874 /nfs/dbraw/zinc/34/28/74/952342874.db2.gz MXWDNEHVNMXPLT-SNVBAGLBSA-N -1 3 387.404 -0.538 20 0 GBADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CN1CCC(=O)NC1=O ZINC001575168771 952342870 /nfs/dbraw/zinc/34/28/70/952342870.db2.gz MXWDNEHVNMXPLT-SNVBAGLBSA-N -1 3 387.404 -0.538 20 0 GBADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575168873 952345243 /nfs/dbraw/zinc/34/52/43/952345243.db2.gz PBLXUTNICFQKIX-GFCCVEGCSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575168873 952345234 /nfs/dbraw/zinc/34/52/34/952345234.db2.gz PBLXUTNICFQKIX-GFCCVEGCSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575168874 952347620 /nfs/dbraw/zinc/34/76/20/952347620.db2.gz PBLXUTNICFQKIX-LBPRGKRZSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CN1CCN(C)C(=O)C1 ZINC001575168874 952347613 /nfs/dbraw/zinc/34/76/13/952347613.db2.gz PBLXUTNICFQKIX-LBPRGKRZSA-N -1 3 387.448 -0.706 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575169676 952349256 /nfs/dbraw/zinc/34/92/56/952349256.db2.gz RLPGIPJCYFVSKO-JTQLQIEISA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575169676 952349248 /nfs/dbraw/zinc/34/92/48/952349248.db2.gz RLPGIPJCYFVSKO-JTQLQIEISA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575169679 952349390 /nfs/dbraw/zinc/34/93/90/952349390.db2.gz RLPGIPJCYFVSKO-SNVBAGLBSA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CN(C)S(C)(=O)=O ZINC001575169679 952349382 /nfs/dbraw/zinc/34/93/82/952349382.db2.gz RLPGIPJCYFVSKO-SNVBAGLBSA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575170272 952354880 /nfs/dbraw/zinc/35/48/80/952354880.db2.gz WZRUUZUCIGIZCZ-JTQLQIEISA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575170272 952354873 /nfs/dbraw/zinc/35/48/73/952354873.db2.gz WZRUUZUCIGIZCZ-JTQLQIEISA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575170274 952355027 /nfs/dbraw/zinc/35/50/27/952355027.db2.gz WZRUUZUCIGIZCZ-SNVBAGLBSA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001575170274 952355019 /nfs/dbraw/zinc/35/50/19/952355019.db2.gz WZRUUZUCIGIZCZ-SNVBAGLBSA-N -1 3 385.388 -0.517 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001575170284 952354031 /nfs/dbraw/zinc/35/40/31/952354031.db2.gz XDEHLVRGMKHIDA-JTQLQIEISA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001575170284 952354022 /nfs/dbraw/zinc/35/40/22/952354022.db2.gz XDEHLVRGMKHIDA-JTQLQIEISA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001575170285 952354122 /nfs/dbraw/zinc/35/41/22/952354122.db2.gz XDEHLVRGMKHIDA-SNVBAGLBSA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CS(=O)(=O)N(C)C ZINC001575170285 952354117 /nfs/dbraw/zinc/35/41/17/952354117.db2.gz XDEHLVRGMKHIDA-SNVBAGLBSA-N -1 3 382.450 -0.588 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CCNS(C)(=O)=O ZINC001575170420 952356076 /nfs/dbraw/zinc/35/60/76/952356076.db2.gz YLWAIVWOJASXQY-JTQLQIEISA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CCNS(C)(=O)=O ZINC001575170420 952356069 /nfs/dbraw/zinc/35/60/69/952356069.db2.gz YLWAIVWOJASXQY-JTQLQIEISA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)CCNS(C)(=O)=O ZINC001575170422 952356415 /nfs/dbraw/zinc/35/64/15/952356415.db2.gz YLWAIVWOJASXQY-SNVBAGLBSA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)CCNS(C)(=O)=O ZINC001575170422 952356413 /nfs/dbraw/zinc/35/64/13/952356413.db2.gz YLWAIVWOJASXQY-SNVBAGLBSA-N -1 3 382.450 -0.540 20 0 GBADHM C[C@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1nccnc1C(N)=O ZINC001575174919 952379719 /nfs/dbraw/zinc/37/97/19/952379719.db2.gz UHQZXBNPTYKAJL-SECBINFHSA-N -1 3 382.388 -0.277 20 0 GBADHM C[C@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1nccnc1C(N)=O ZINC001575174919 952379713 /nfs/dbraw/zinc/37/97/13/952379713.db2.gz UHQZXBNPTYKAJL-SECBINFHSA-N -1 3 382.388 -0.277 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nn[n-]n1)N(C)C(=O)c1nccnc1C(N)=O ZINC001575174920 952380461 /nfs/dbraw/zinc/38/04/61/952380461.db2.gz UHQZXBNPTYKAJL-VIFPVBQESA-N -1 3 382.388 -0.277 20 0 GBADHM C[C@@H](CNc1ncccc1-c1nnn[n-]1)N(C)C(=O)c1nccnc1C(N)=O ZINC001575174920 952380452 /nfs/dbraw/zinc/38/04/52/952380452.db2.gz UHQZXBNPTYKAJL-VIFPVBQESA-N -1 3 382.388 -0.277 20 0 GBADHM C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCN1CCOCC1 ZINC001575176250 952392935 /nfs/dbraw/zinc/39/29/35/952392935.db2.gz ZRRSDUOSVHLBIR-GFCCVEGCSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCN1CCOCC1 ZINC001575176250 952392927 /nfs/dbraw/zinc/39/29/27/952392927.db2.gz ZRRSDUOSVHLBIR-GFCCVEGCSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)CCN1CCOCC1 ZINC001575176253 952393234 /nfs/dbraw/zinc/39/32/34/952393234.db2.gz ZRRSDUOSVHLBIR-LBPRGKRZSA-N -1 3 375.437 -0.362 20 0 GBADHM C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)CCN1CCOCC1 ZINC001575176253 952393226 /nfs/dbraw/zinc/39/32/26/952393226.db2.gz ZRRSDUOSVHLBIR-LBPRGKRZSA-N -1 3 375.437 -0.362 20 0 GBADHM CC(CO)(CO)NC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001575179516 952411885 /nfs/dbraw/zinc/41/18/85/952411885.db2.gz VMEJDECWNHPOMO-UHFFFAOYSA-N -1 3 375.433 -0.122 20 0 GBADHM CC(CO)(CO)NC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001575179516 952411882 /nfs/dbraw/zinc/41/18/82/952411882.db2.gz VMEJDECWNHPOMO-UHFFFAOYSA-N -1 3 375.433 -0.122 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575184721 952422707 /nfs/dbraw/zinc/42/27/07/952422707.db2.gz BBZUDFJFDJSBCN-GHMZBOCLSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575184721 952422704 /nfs/dbraw/zinc/42/27/04/952422704.db2.gz BBZUDFJFDJSBCN-GHMZBOCLSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575184722 952422662 /nfs/dbraw/zinc/42/26/62/952422662.db2.gz BBZUDFJFDJSBCN-MNOVXSKESA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575184722 952422660 /nfs/dbraw/zinc/42/26/60/952422660.db2.gz BBZUDFJFDJSBCN-MNOVXSKESA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575184723 952422754 /nfs/dbraw/zinc/42/27/54/952422754.db2.gz BBZUDFJFDJSBCN-QWRGUYRKSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575184723 952422751 /nfs/dbraw/zinc/42/27/51/952422751.db2.gz BBZUDFJFDJSBCN-QWRGUYRKSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001575184724 952422874 /nfs/dbraw/zinc/42/28/74/952422874.db2.gz BBZUDFJFDJSBCN-WDEREUQCSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001575184724 952422871 /nfs/dbraw/zinc/42/28/71/952422871.db2.gz BBZUDFJFDJSBCN-WDEREUQCSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575184753 952423440 /nfs/dbraw/zinc/42/34/40/952423440.db2.gz BOXJTFMIGZWNKB-SECBINFHSA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575184753 952423436 /nfs/dbraw/zinc/42/34/36/952423436.db2.gz BOXJTFMIGZWNKB-SECBINFHSA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575184754 952423405 /nfs/dbraw/zinc/42/34/05/952423405.db2.gz BOXJTFMIGZWNKB-VIFPVBQESA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575184754 952423402 /nfs/dbraw/zinc/42/34/02/952423402.db2.gz BOXJTFMIGZWNKB-VIFPVBQESA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC001575184791 952423877 /nfs/dbraw/zinc/42/38/77/952423877.db2.gz CNCGNJMTFUIMMM-LLVKDONJSA-N -1 3 381.462 -0.163 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC001575184791 952423874 /nfs/dbraw/zinc/42/38/74/952423874.db2.gz CNCGNJMTFUIMMM-LLVKDONJSA-N -1 3 381.462 -0.163 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ncccc1-c1nn[n-]n1 ZINC001575184792 952423764 /nfs/dbraw/zinc/42/37/64/952423764.db2.gz CNCGNJMTFUIMMM-NSHDSACASA-N -1 3 381.462 -0.163 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ncccc1-c1nnn[n-]1 ZINC001575184792 952423761 /nfs/dbraw/zinc/42/37/61/952423761.db2.gz CNCGNJMTFUIMMM-NSHDSACASA-N -1 3 381.462 -0.163 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575184793 952424674 /nfs/dbraw/zinc/42/46/74/952424674.db2.gz CODXSARVKQLBLY-LLVKDONJSA-N -1 3 379.446 -0.409 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575184793 952424671 /nfs/dbraw/zinc/42/46/71/952424671.db2.gz CODXSARVKQLBLY-LLVKDONJSA-N -1 3 379.446 -0.409 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001575184794 952424636 /nfs/dbraw/zinc/42/46/36/952424636.db2.gz CODXSARVKQLBLY-NSHDSACASA-N -1 3 379.446 -0.409 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001575184794 952424632 /nfs/dbraw/zinc/42/46/32/952424632.db2.gz CODXSARVKQLBLY-NSHDSACASA-N -1 3 379.446 -0.409 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575184805 952423989 /nfs/dbraw/zinc/42/39/89/952423989.db2.gz CWYDULDKQJZJDP-SECBINFHSA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575184805 952423987 /nfs/dbraw/zinc/42/39/87/952423987.db2.gz CWYDULDKQJZJDP-SECBINFHSA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575184806 952423755 /nfs/dbraw/zinc/42/37/55/952423755.db2.gz CWYDULDKQJZJDP-VIFPVBQESA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575184806 952423752 /nfs/dbraw/zinc/42/37/52/952423752.db2.gz CWYDULDKQJZJDP-VIFPVBQESA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575184813 952424608 /nfs/dbraw/zinc/42/46/08/952424608.db2.gz DAHFDXAWRFWKQM-LLVKDONJSA-N -1 3 381.462 -0.163 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575184813 952424606 /nfs/dbraw/zinc/42/46/06/952424606.db2.gz DAHFDXAWRFWKQM-LLVKDONJSA-N -1 3 381.462 -0.163 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575184814 952424602 /nfs/dbraw/zinc/42/46/02/952424602.db2.gz DAHFDXAWRFWKQM-NSHDSACASA-N -1 3 381.462 -0.163 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575184814 952424599 /nfs/dbraw/zinc/42/45/99/952424599.db2.gz DAHFDXAWRFWKQM-NSHDSACASA-N -1 3 381.462 -0.163 20 0 GBADHM C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575184827 952424383 /nfs/dbraw/zinc/42/43/83/952424383.db2.gz DHTOUEYNMYNJMC-BDAKNGLRSA-N -1 3 385.425 -0.002 20 0 GBADHM C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575184827 952424380 /nfs/dbraw/zinc/42/43/80/952424380.db2.gz DHTOUEYNMYNJMC-BDAKNGLRSA-N -1 3 385.425 -0.002 20 0 GBADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001575184828 952424398 /nfs/dbraw/zinc/42/43/98/952424398.db2.gz DHTOUEYNMYNJMC-DTWKUNHWSA-N -1 3 385.425 -0.002 20 0 GBADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001575184828 952424395 /nfs/dbraw/zinc/42/43/95/952424395.db2.gz DHTOUEYNMYNJMC-DTWKUNHWSA-N -1 3 385.425 -0.002 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CNc1ncc(-c2nn[n-]n2)cc1F ZINC001575184829 952424297 /nfs/dbraw/zinc/42/42/97/952424297.db2.gz DHTOUEYNMYNJMC-IUCAKERBSA-N -1 3 385.425 -0.002 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CNc1ncc(-c2nnn[n-]2)cc1F ZINC001575184829 952424295 /nfs/dbraw/zinc/42/42/95/952424295.db2.gz DHTOUEYNMYNJMC-IUCAKERBSA-N -1 3 385.425 -0.002 20 0 GBADHM C[C@H](CNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575184830 952424044 /nfs/dbraw/zinc/42/40/44/952424044.db2.gz DHTOUEYNMYNJMC-RKDXNWHRSA-N -1 3 385.425 -0.002 20 0 GBADHM C[C@H](CNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575184830 952424040 /nfs/dbraw/zinc/42/40/40/952424040.db2.gz DHTOUEYNMYNJMC-RKDXNWHRSA-N -1 3 385.425 -0.002 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575184839 952423788 /nfs/dbraw/zinc/42/37/88/952423788.db2.gz DQQGTGNMBUHABZ-LLVKDONJSA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575184839 952423784 /nfs/dbraw/zinc/42/37/84/952423784.db2.gz DQQGTGNMBUHABZ-LLVKDONJSA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575184840 952424014 /nfs/dbraw/zinc/42/40/14/952424014.db2.gz DQQGTGNMBUHABZ-NSHDSACASA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575184840 952424011 /nfs/dbraw/zinc/42/40/11/952424011.db2.gz DQQGTGNMBUHABZ-NSHDSACASA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575184843 952424432 /nfs/dbraw/zinc/42/44/32/952424432.db2.gz DVIBZGVPZKMYFP-CMPLNLGQSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575184843 952424429 /nfs/dbraw/zinc/42/44/29/952424429.db2.gz DVIBZGVPZKMYFP-CMPLNLGQSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575184844 952423939 /nfs/dbraw/zinc/42/39/39/952423939.db2.gz DVIBZGVPZKMYFP-JQWIXIFHSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575184844 952423937 /nfs/dbraw/zinc/42/39/37/952423937.db2.gz DVIBZGVPZKMYFP-JQWIXIFHSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575184845 952424174 /nfs/dbraw/zinc/42/41/74/952424174.db2.gz DVIBZGVPZKMYFP-PWSUYJOCSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575184845 952424170 /nfs/dbraw/zinc/42/41/70/952424170.db2.gz DVIBZGVPZKMYFP-PWSUYJOCSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575184846 952424592 /nfs/dbraw/zinc/42/45/92/952424592.db2.gz DVIBZGVPZKMYFP-ZYHUDNBSSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575184846 952424589 /nfs/dbraw/zinc/42/45/89/952424589.db2.gz DVIBZGVPZKMYFP-ZYHUDNBSSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001575184895 952425682 /nfs/dbraw/zinc/42/56/82/952425682.db2.gz GWBXGTNHVGKRED-SECBINFHSA-N -1 3 386.459 -0.152 20 0 GBADHM C[C@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001575184895 952425679 /nfs/dbraw/zinc/42/56/79/952425679.db2.gz GWBXGTNHVGKRED-SECBINFHSA-N -1 3 386.459 -0.152 20 0 GBADHM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001575184896 952425387 /nfs/dbraw/zinc/42/53/87/952425387.db2.gz GWBXGTNHVGKRED-VIFPVBQESA-N -1 3 386.459 -0.152 20 0 GBADHM C[C@@H](CS(C)(=O)=O)N(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001575184896 952425382 /nfs/dbraw/zinc/42/53/82/952425382.db2.gz GWBXGTNHVGKRED-VIFPVBQESA-N -1 3 386.459 -0.152 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001575184931 952425528 /nfs/dbraw/zinc/42/55/28/952425528.db2.gz HOHMZMRHTADYRH-DRZSPHRISA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001575184931 952425524 /nfs/dbraw/zinc/42/55/24/952425524.db2.gz HOHMZMRHTADYRH-DRZSPHRISA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001575184932 952425592 /nfs/dbraw/zinc/42/55/92/952425592.db2.gz HOHMZMRHTADYRH-WXHSDQCUSA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001575184932 952425588 /nfs/dbraw/zinc/42/55/88/952425588.db2.gz HOHMZMRHTADYRH-WXHSDQCUSA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575184945 952426345 /nfs/dbraw/zinc/42/63/45/952426345.db2.gz HSZQYTXSDSHCJW-SECBINFHSA-N -1 3 385.425 -0.366 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575184945 952426340 /nfs/dbraw/zinc/42/63/40/952426340.db2.gz HSZQYTXSDSHCJW-SECBINFHSA-N -1 3 385.425 -0.366 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001575184946 952427015 /nfs/dbraw/zinc/42/70/15/952427015.db2.gz HSZQYTXSDSHCJW-VIFPVBQESA-N -1 3 385.425 -0.366 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001575184946 952427012 /nfs/dbraw/zinc/42/70/12/952427012.db2.gz HSZQYTXSDSHCJW-VIFPVBQESA-N -1 3 385.425 -0.366 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575184985 952426680 /nfs/dbraw/zinc/42/66/80/952426680.db2.gz IPNKFGRCIFXVEC-SECBINFHSA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575184985 952426677 /nfs/dbraw/zinc/42/66/77/952426677.db2.gz IPNKFGRCIFXVEC-SECBINFHSA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575184986 952426501 /nfs/dbraw/zinc/42/65/01/952426501.db2.gz IPNKFGRCIFXVEC-VIFPVBQESA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575184986 952426497 /nfs/dbraw/zinc/42/64/97/952426497.db2.gz IPNKFGRCIFXVEC-VIFPVBQESA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575185071 952428305 /nfs/dbraw/zinc/42/83/05/952428305.db2.gz KMXMBTKUDXWWPE-GHMZBOCLSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575185071 952428300 /nfs/dbraw/zinc/42/83/00/952428300.db2.gz KMXMBTKUDXWWPE-GHMZBOCLSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575185072 952427860 /nfs/dbraw/zinc/42/78/60/952427860.db2.gz KMXMBTKUDXWWPE-MNOVXSKESA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575185072 952427857 /nfs/dbraw/zinc/42/78/57/952427857.db2.gz KMXMBTKUDXWWPE-MNOVXSKESA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575185073 952427950 /nfs/dbraw/zinc/42/79/50/952427950.db2.gz KMXMBTKUDXWWPE-QWRGUYRKSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575185073 952427948 /nfs/dbraw/zinc/42/79/48/952427948.db2.gz KMXMBTKUDXWWPE-QWRGUYRKSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001575185074 952427415 /nfs/dbraw/zinc/42/74/15/952427415.db2.gz KMXMBTKUDXWWPE-WDEREUQCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001575185074 952427410 /nfs/dbraw/zinc/42/74/10/952427410.db2.gz KMXMBTKUDXWWPE-WDEREUQCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575185085 952427940 /nfs/dbraw/zinc/42/79/40/952427940.db2.gz KQJIBBHMLMLICS-GHMZBOCLSA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575185085 952427935 /nfs/dbraw/zinc/42/79/35/952427935.db2.gz KQJIBBHMLMLICS-GHMZBOCLSA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575185086 952427558 /nfs/dbraw/zinc/42/75/58/952427558.db2.gz KQJIBBHMLMLICS-MNOVXSKESA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575185086 952427551 /nfs/dbraw/zinc/42/75/51/952427551.db2.gz KQJIBBHMLMLICS-MNOVXSKESA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575185087 952428145 /nfs/dbraw/zinc/42/81/45/952428145.db2.gz KQJIBBHMLMLICS-QWRGUYRKSA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575185087 952428141 /nfs/dbraw/zinc/42/81/41/952428141.db2.gz KQJIBBHMLMLICS-QWRGUYRKSA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001575185088 952427604 /nfs/dbraw/zinc/42/76/04/952427604.db2.gz KQJIBBHMLMLICS-WDEREUQCSA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001575185088 952427598 /nfs/dbraw/zinc/42/75/98/952427598.db2.gz KQJIBBHMLMLICS-WDEREUQCSA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575185109 952428808 /nfs/dbraw/zinc/42/88/08/952428808.db2.gz LBGLWHAPVZFUDJ-LLVKDONJSA-N -1 3 381.462 -0.163 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575185109 952428801 /nfs/dbraw/zinc/42/88/01/952428801.db2.gz LBGLWHAPVZFUDJ-LLVKDONJSA-N -1 3 381.462 -0.163 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575185110 952429243 /nfs/dbraw/zinc/42/92/43/952429243.db2.gz LBGLWHAPVZFUDJ-NSHDSACASA-N -1 3 381.462 -0.163 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575185110 952429238 /nfs/dbraw/zinc/42/92/38/952429238.db2.gz LBGLWHAPVZFUDJ-NSHDSACASA-N -1 3 381.462 -0.163 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001575185229 952430062 /nfs/dbraw/zinc/43/00/62/952430062.db2.gz NLJBLYBLXZPMSR-SECBINFHSA-N -1 3 385.425 -0.048 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001575185229 952430059 /nfs/dbraw/zinc/43/00/59/952430059.db2.gz NLJBLYBLXZPMSR-SECBINFHSA-N -1 3 385.425 -0.048 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCNc1ncc(-c2nn[n-]n2)cc1F ZINC001575185230 952430600 /nfs/dbraw/zinc/43/06/00/952430600.db2.gz NLJBLYBLXZPMSR-VIFPVBQESA-N -1 3 385.425 -0.048 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCNc1ncc(-c2nnn[n-]2)cc1F ZINC001575185230 952430595 /nfs/dbraw/zinc/43/05/95/952430595.db2.gz NLJBLYBLXZPMSR-VIFPVBQESA-N -1 3 385.425 -0.048 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575185231 952429995 /nfs/dbraw/zinc/42/99/95/952429995.db2.gz NLPBTZLZPMWFBL-LLVKDONJSA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575185231 952429993 /nfs/dbraw/zinc/42/99/93/952429993.db2.gz NLPBTZLZPMWFBL-LLVKDONJSA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575185232 952430428 /nfs/dbraw/zinc/43/04/28/952430428.db2.gz NLPBTZLZPMWFBL-NSHDSACASA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575185232 952430423 /nfs/dbraw/zinc/43/04/23/952430423.db2.gz NLPBTZLZPMWFBL-NSHDSACASA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575185269 952431314 /nfs/dbraw/zinc/43/13/14/952431314.db2.gz OGCSIHWNAIMZQW-BDAKNGLRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575185269 952431310 /nfs/dbraw/zinc/43/13/10/952431310.db2.gz OGCSIHWNAIMZQW-BDAKNGLRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001575185270 952431734 /nfs/dbraw/zinc/43/17/34/952431734.db2.gz OGCSIHWNAIMZQW-DTWKUNHWSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@@H](C)CS(C)(=O)=O ZINC001575185270 952431730 /nfs/dbraw/zinc/43/17/30/952431730.db2.gz OGCSIHWNAIMZQW-DTWKUNHWSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575185271 952432073 /nfs/dbraw/zinc/43/20/73/952432073.db2.gz OGCSIHWNAIMZQW-IUCAKERBSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575185271 952432070 /nfs/dbraw/zinc/43/20/70/952432070.db2.gz OGCSIHWNAIMZQW-IUCAKERBSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575185272 952431469 /nfs/dbraw/zinc/43/14/69/952431469.db2.gz OGCSIHWNAIMZQW-RKDXNWHRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575185272 952431466 /nfs/dbraw/zinc/43/14/66/952431466.db2.gz OGCSIHWNAIMZQW-RKDXNWHRSA-N -1 3 383.434 -0.890 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001575185281 952432028 /nfs/dbraw/zinc/43/20/28/952432028.db2.gz ONNSYRBJNIDNTK-DRZSPHRISA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001575185281 952432024 /nfs/dbraw/zinc/43/20/24/952432024.db2.gz ONNSYRBJNIDNTK-DRZSPHRISA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001575185282 952431773 /nfs/dbraw/zinc/43/17/73/952431773.db2.gz ONNSYRBJNIDNTK-WXHSDQCUSA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001575185282 952431771 /nfs/dbraw/zinc/43/17/71/952431771.db2.gz ONNSYRBJNIDNTK-WXHSDQCUSA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575185317 952431845 /nfs/dbraw/zinc/43/18/45/952431845.db2.gz PICONJPFFRAWPA-GHMZBOCLSA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@H](CNC(=O)[C@H](C)CS(C)(=O)=O)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575185317 952431842 /nfs/dbraw/zinc/43/18/42/952431842.db2.gz PICONJPFFRAWPA-GHMZBOCLSA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575185318 952431910 /nfs/dbraw/zinc/43/19/10/952431910.db2.gz PICONJPFFRAWPA-MNOVXSKESA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575185318 952431906 /nfs/dbraw/zinc/43/19/06/952431906.db2.gz PICONJPFFRAWPA-MNOVXSKESA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575185319 952431552 /nfs/dbraw/zinc/43/15/52/952431552.db2.gz PICONJPFFRAWPA-QWRGUYRKSA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575185319 952431546 /nfs/dbraw/zinc/43/15/46/952431546.db2.gz PICONJPFFRAWPA-QWRGUYRKSA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001575185320 952431358 /nfs/dbraw/zinc/43/13/58/952431358.db2.gz PICONJPFFRAWPA-WDEREUQCSA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001575185320 952431356 /nfs/dbraw/zinc/43/13/56/952431356.db2.gz PICONJPFFRAWPA-WDEREUQCSA-N -1 3 381.462 -0.117 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001575185321 952431760 /nfs/dbraw/zinc/43/17/60/952431760.db2.gz PIEPJTMWJWUYCE-FTYKPCCVSA-N -1 3 391.457 -0.507 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001575185321 952431754 /nfs/dbraw/zinc/43/17/54/952431754.db2.gz PIEPJTMWJWUYCE-FTYKPCCVSA-N -1 3 391.457 -0.507 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21 ZINC001575185322 952431881 /nfs/dbraw/zinc/43/18/81/952431881.db2.gz PIEPJTMWJWUYCE-XEZLXBQYSA-N -1 3 391.457 -0.507 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21 ZINC001575185322 952431879 /nfs/dbraw/zinc/43/18/79/952431879.db2.gz PIEPJTMWJWUYCE-XEZLXBQYSA-N -1 3 391.457 -0.507 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001575185529 952433833 /nfs/dbraw/zinc/43/38/33/952433833.db2.gz RSHXWGYHIVOGGJ-PQFRYHKHSA-N -1 3 391.457 -0.507 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001575185529 952433829 /nfs/dbraw/zinc/43/38/29/952433829.db2.gz RSHXWGYHIVOGGJ-PQFRYHKHSA-N -1 3 391.457 -0.507 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001575185531 952434050 /nfs/dbraw/zinc/43/40/50/952434050.db2.gz RSHXWGYHIVOGGJ-WUWHUORYSA-N -1 3 391.457 -0.507 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]21 ZINC001575185531 952434046 /nfs/dbraw/zinc/43/40/46/952434046.db2.gz RSHXWGYHIVOGGJ-WUWHUORYSA-N -1 3 391.457 -0.507 20 0 GBADHM C[C@H](CS(C)(=O)=O)NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001575185532 952433985 /nfs/dbraw/zinc/43/39/85/952433985.db2.gz RUDLPYUTQDDUAJ-MRVPVSSYSA-N -1 3 377.423 -0.142 20 0 GBADHM C[C@H](CS(C)(=O)=O)NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001575185532 952433981 /nfs/dbraw/zinc/43/39/81/952433981.db2.gz RUDLPYUTQDDUAJ-MRVPVSSYSA-N -1 3 377.423 -0.142 20 0 GBADHM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001575185534 952434022 /nfs/dbraw/zinc/43/40/22/952434022.db2.gz RUDLPYUTQDDUAJ-QMMMGPOBSA-N -1 3 377.423 -0.142 20 0 GBADHM C[C@@H](CS(C)(=O)=O)NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001575185534 952434020 /nfs/dbraw/zinc/43/40/20/952434020.db2.gz RUDLPYUTQDDUAJ-QMMMGPOBSA-N -1 3 377.423 -0.142 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575185573 952434606 /nfs/dbraw/zinc/43/46/06/952434606.db2.gz SZCRGMHIEJHBSA-JQWIXIFHSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575185573 952434602 /nfs/dbraw/zinc/43/46/02/952434602.db2.gz SZCRGMHIEJHBSA-JQWIXIFHSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001575185574 952434465 /nfs/dbraw/zinc/43/44/65/952434465.db2.gz SZCRGMHIEJHBSA-PWSUYJOCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001575185574 952434461 /nfs/dbraw/zinc/43/44/61/952434461.db2.gz SZCRGMHIEJHBSA-PWSUYJOCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575185739 952435551 /nfs/dbraw/zinc/43/55/51/952435551.db2.gz VIJKXKBNEGKYTK-CMPLNLGQSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575185739 952435547 /nfs/dbraw/zinc/43/55/47/952435547.db2.gz VIJKXKBNEGKYTK-CMPLNLGQSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575185740 952435395 /nfs/dbraw/zinc/43/53/95/952435395.db2.gz VIJKXKBNEGKYTK-JQWIXIFHSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575185740 952435390 /nfs/dbraw/zinc/43/53/90/952435390.db2.gz VIJKXKBNEGKYTK-JQWIXIFHSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575185741 952434946 /nfs/dbraw/zinc/43/49/46/952434946.db2.gz VIJKXKBNEGKYTK-PWSUYJOCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575185741 952434943 /nfs/dbraw/zinc/43/49/43/952434943.db2.gz VIJKXKBNEGKYTK-PWSUYJOCSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575185742 952435310 /nfs/dbraw/zinc/43/53/10/952435310.db2.gz VIJKXKBNEGKYTK-ZYHUDNBSSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575185742 952435305 /nfs/dbraw/zinc/43/53/05/952435305.db2.gz VIJKXKBNEGKYTK-ZYHUDNBSSA-N -1 3 379.446 -0.045 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575185763 952435175 /nfs/dbraw/zinc/43/51/75/952435175.db2.gz WEMGIDYKLKVHDK-GHMZBOCLSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575185763 952435172 /nfs/dbraw/zinc/43/51/72/952435172.db2.gz WEMGIDYKLKVHDK-GHMZBOCLSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575185764 952435708 /nfs/dbraw/zinc/43/57/08/952435708.db2.gz WEMGIDYKLKVHDK-MNOVXSKESA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575185764 952435704 /nfs/dbraw/zinc/43/57/04/952435704.db2.gz WEMGIDYKLKVHDK-MNOVXSKESA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575185765 952435674 /nfs/dbraw/zinc/43/56/74/952435674.db2.gz WEMGIDYKLKVHDK-QWRGUYRKSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575185765 952435673 /nfs/dbraw/zinc/43/56/73/952435673.db2.gz WEMGIDYKLKVHDK-QWRGUYRKSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001575185766 952434780 /nfs/dbraw/zinc/43/47/80/952434780.db2.gz WEMGIDYKLKVHDK-WDEREUQCSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001575185766 952434778 /nfs/dbraw/zinc/43/47/78/952434778.db2.gz WEMGIDYKLKVHDK-WDEREUQCSA-N -1 3 379.446 -0.363 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001575185987 952436798 /nfs/dbraw/zinc/43/67/98/952436798.db2.gz XJQUHEFMKYZDFF-SRVKXCTJSA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001575185987 952436794 /nfs/dbraw/zinc/43/67/94/952436794.db2.gz XJQUHEFMKYZDFF-SRVKXCTJSA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[n-]n1 ZINC001575185989 952436898 /nfs/dbraw/zinc/43/68/98/952436898.db2.gz XJQUHEFMKYZDFF-WOPDTQHZSA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nnn[n-]1 ZINC001575185989 952436895 /nfs/dbraw/zinc/43/68/95/952436895.db2.gz XJQUHEFMKYZDFF-WOPDTQHZSA-N -1 3 391.457 -0.268 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575186013 952436969 /nfs/dbraw/zinc/43/69/69/952436969.db2.gz XTYDZFZVHANUDQ-LLVKDONJSA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575186013 952436968 /nfs/dbraw/zinc/43/69/68/952436968.db2.gz XTYDZFZVHANUDQ-LLVKDONJSA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001575186016 952436677 /nfs/dbraw/zinc/43/66/77/952436677.db2.gz XTYDZFZVHANUDQ-NSHDSACASA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001575186016 952436673 /nfs/dbraw/zinc/43/66/73/952436673.db2.gz XTYDZFZVHANUDQ-NSHDSACASA-N -1 3 378.458 -0.152 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575186043 952436286 /nfs/dbraw/zinc/43/62/86/952436286.db2.gz YBZQQSBLQXWPDD-SECBINFHSA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575186043 952436283 /nfs/dbraw/zinc/43/62/83/952436283.db2.gz YBZQQSBLQXWPDD-SECBINFHSA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575186044 952436504 /nfs/dbraw/zinc/43/65/04/952436504.db2.gz YBZQQSBLQXWPDD-VIFPVBQESA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575186044 952436500 /nfs/dbraw/zinc/43/65/00/952436500.db2.gz YBZQQSBLQXWPDD-VIFPVBQESA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575186053 952436398 /nfs/dbraw/zinc/43/63/98/952436398.db2.gz YDSAEAWDIXJZAJ-SECBINFHSA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@H](CS(C)(=O)=O)C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575186053 952436392 /nfs/dbraw/zinc/43/63/92/952436392.db2.gz YDSAEAWDIXJZAJ-SECBINFHSA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575186054 952436722 /nfs/dbraw/zinc/43/67/22/952436722.db2.gz YDSAEAWDIXJZAJ-VIFPVBQESA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@@H](CS(C)(=O)=O)C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575186054 952436718 /nfs/dbraw/zinc/43/67/18/952436718.db2.gz YDSAEAWDIXJZAJ-VIFPVBQESA-N -1 3 383.434 -0.936 20 0 GBADHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)CNS(N)(=O)=O ZINC001575191907 952470561 /nfs/dbraw/zinc/47/05/61/952470561.db2.gz ZYXZWQLZEKLSSD-JTQLQIEISA-N -1 3 381.462 -0.267 20 0 GBADHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)CNS(N)(=O)=O ZINC001575191907 952470557 /nfs/dbraw/zinc/47/05/57/952470557.db2.gz ZYXZWQLZEKLSSD-JTQLQIEISA-N -1 3 381.462 -0.267 20 0 GBADHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(C)(C)CNS(N)(=O)=O ZINC001575191908 952471174 /nfs/dbraw/zinc/47/11/74/952471174.db2.gz ZYXZWQLZEKLSSD-SNVBAGLBSA-N -1 3 381.462 -0.267 20 0 GBADHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NC(C)(C)CNS(N)(=O)=O ZINC001575191908 952471173 /nfs/dbraw/zinc/47/11/73/952471173.db2.gz ZYXZWQLZEKLSSD-SNVBAGLBSA-N -1 3 381.462 -0.267 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575195459 952472215 /nfs/dbraw/zinc/47/22/15/952472215.db2.gz BGKZFOXMCGGXFY-GHMZBOCLSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575195459 952472213 /nfs/dbraw/zinc/47/22/13/952472213.db2.gz BGKZFOXMCGGXFY-GHMZBOCLSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575195463 952472183 /nfs/dbraw/zinc/47/21/83/952472183.db2.gz BGKZFOXMCGGXFY-MNOVXSKESA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575195463 952472180 /nfs/dbraw/zinc/47/21/80/952472180.db2.gz BGKZFOXMCGGXFY-MNOVXSKESA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575195466 952471845 /nfs/dbraw/zinc/47/18/45/952471845.db2.gz BGKZFOXMCGGXFY-QWRGUYRKSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575195466 952471839 /nfs/dbraw/zinc/47/18/39/952471839.db2.gz BGKZFOXMCGGXFY-QWRGUYRKSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575195468 952472033 /nfs/dbraw/zinc/47/20/33/952472033.db2.gz BGKZFOXMCGGXFY-WDEREUQCSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575195468 952472029 /nfs/dbraw/zinc/47/20/29/952472029.db2.gz BGKZFOXMCGGXFY-WDEREUQCSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575196656 952477104 /nfs/dbraw/zinc/47/71/04/952477104.db2.gz IGBNCUOKQHRZAV-COLVAYQJSA-N -1 3 399.411 -0.032 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575196656 952477101 /nfs/dbraw/zinc/47/71/01/952477101.db2.gz IGBNCUOKQHRZAV-COLVAYQJSA-N -1 3 399.411 -0.032 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575196661 952477179 /nfs/dbraw/zinc/47/71/79/952477179.db2.gz IGBNCUOKQHRZAV-VCTAVGKDSA-N -1 3 399.411 -0.032 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575196661 952477176 /nfs/dbraw/zinc/47/71/76/952477176.db2.gz IGBNCUOKQHRZAV-VCTAVGKDSA-N -1 3 399.411 -0.032 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001575196695 952476732 /nfs/dbraw/zinc/47/67/32/952476732.db2.gz IYISIQOKWKXZFV-KMUNFCNLSA-N -1 3 399.411 -0.032 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001575196695 952476728 /nfs/dbraw/zinc/47/67/28/952476728.db2.gz IYISIQOKWKXZFV-KMUNFCNLSA-N -1 3 399.411 -0.032 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001575196697 952476384 /nfs/dbraw/zinc/47/63/84/952476384.db2.gz IYISIQOKWKXZFV-VQISRLSMSA-N -1 3 399.411 -0.032 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001575196697 952476381 /nfs/dbraw/zinc/47/63/81/952476381.db2.gz IYISIQOKWKXZFV-VQISRLSMSA-N -1 3 399.411 -0.032 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001575196932 952478721 /nfs/dbraw/zinc/47/87/21/952478721.db2.gz LKPGDVNKILJWIV-KMUNFCNLSA-N -1 3 399.411 -0.032 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001575196932 952478717 /nfs/dbraw/zinc/47/87/17/952478717.db2.gz LKPGDVNKILJWIV-KMUNFCNLSA-N -1 3 399.411 -0.032 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001575196934 952478676 /nfs/dbraw/zinc/47/86/76/952478676.db2.gz LKPGDVNKILJWIV-VQISRLSMSA-N -1 3 399.411 -0.032 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001575196934 952478672 /nfs/dbraw/zinc/47/86/72/952478672.db2.gz LKPGDVNKILJWIV-VQISRLSMSA-N -1 3 399.411 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C[C@@H](Cc1ccco1)C(=O)NC[C@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575197101 952478962 /nfs/dbraw/zinc/47/89/62/952478962.db2.gz NCLTZNBLPZQHEN-QWRGUYRKSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575197102 952479086 /nfs/dbraw/zinc/47/90/86/952479086.db2.gz NCLTZNBLPZQHEN-WDEREUQCSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](O)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575197102 952479078 /nfs/dbraw/zinc/47/90/78/952479078.db2.gz NCLTZNBLPZQHEN-WDEREUQCSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575197263 952482045 /nfs/dbraw/zinc/48/20/45/952482045.db2.gz RGLOXVZURCOYOY-CMPLNLGQSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575197263 952482042 /nfs/dbraw/zinc/48/20/42/952482042.db2.gz RGLOXVZURCOYOY-CMPLNLGQSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575197264 952482171 /nfs/dbraw/zinc/48/21/71/952482171.db2.gz RGLOXVZURCOYOY-JQWIXIFHSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575197264 952482168 /nfs/dbraw/zinc/48/21/68/952482168.db2.gz RGLOXVZURCOYOY-JQWIXIFHSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575197265 952482087 /nfs/dbraw/zinc/48/20/87/952482087.db2.gz RGLOXVZURCOYOY-PWSUYJOCSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N[C@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575197265 952482085 /nfs/dbraw/zinc/48/20/85/952482085.db2.gz RGLOXVZURCOYOY-PWSUYJOCSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575197266 952481787 /nfs/dbraw/zinc/48/17/87/952481787.db2.gz RGLOXVZURCOYOY-ZYHUDNBSSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)N[C@@H](CO)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575197266 952481785 /nfs/dbraw/zinc/48/17/85/952481785.db2.gz RGLOXVZURCOYOY-ZYHUDNBSSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575197329 952483488 /nfs/dbraw/zinc/48/34/88/952483488.db2.gz UDRHNKSMBLFHDO-CMPLNLGQSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575197329 952483482 /nfs/dbraw/zinc/48/34/82/952483482.db2.gz UDRHNKSMBLFHDO-CMPLNLGQSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575197330 952482659 /nfs/dbraw/zinc/48/26/59/952482659.db2.gz UDRHNKSMBLFHDO-JQWIXIFHSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575197330 952482657 /nfs/dbraw/zinc/48/26/57/952482657.db2.gz UDRHNKSMBLFHDO-JQWIXIFHSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575197331 952482801 /nfs/dbraw/zinc/48/28/01/952482801.db2.gz UDRHNKSMBLFHDO-PWSUYJOCSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575197331 952482796 /nfs/dbraw/zinc/48/27/96/952482796.db2.gz UDRHNKSMBLFHDO-PWSUYJOCSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575197332 952483589 /nfs/dbraw/zinc/48/35/89/952483589.db2.gz UDRHNKSMBLFHDO-ZYHUDNBSSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575197332 952483587 /nfs/dbraw/zinc/48/35/87/952483587.db2.gz UDRHNKSMBLFHDO-ZYHUDNBSSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575197347 952482736 /nfs/dbraw/zinc/48/27/36/952482736.db2.gz UNOWAUJEIHYFOT-CMPLNLGQSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575197347 952482732 /nfs/dbraw/zinc/48/27/32/952482732.db2.gz UNOWAUJEIHYFOT-CMPLNLGQSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575197348 952482930 /nfs/dbraw/zinc/48/29/30/952482930.db2.gz UNOWAUJEIHYFOT-JQWIXIFHSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575197348 952482925 /nfs/dbraw/zinc/48/29/25/952482925.db2.gz UNOWAUJEIHYFOT-JQWIXIFHSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575197349 952483266 /nfs/dbraw/zinc/48/32/66/952483266.db2.gz UNOWAUJEIHYFOT-PWSUYJOCSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575197349 952483261 /nfs/dbraw/zinc/48/32/61/952483261.db2.gz UNOWAUJEIHYFOT-PWSUYJOCSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575197350 952482975 /nfs/dbraw/zinc/48/29/75/952482975.db2.gz UNOWAUJEIHYFOT-ZYHUDNBSSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H](O)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575197350 952482970 /nfs/dbraw/zinc/48/29/70/952482970.db2.gz UNOWAUJEIHYFOT-ZYHUDNBSSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575197395 952482774 /nfs/dbraw/zinc/48/27/74/952482774.db2.gz VIUBASXQNOBTAB-GHMZBOCLSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575197395 952482770 /nfs/dbraw/zinc/48/27/70/952482770.db2.gz VIUBASXQNOBTAB-GHMZBOCLSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575197396 952483439 /nfs/dbraw/zinc/48/34/39/952483439.db2.gz VIUBASXQNOBTAB-MNOVXSKESA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575197396 952483432 /nfs/dbraw/zinc/48/34/32/952483432.db2.gz VIUBASXQNOBTAB-MNOVXSKESA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575197397 952483105 /nfs/dbraw/zinc/48/31/05/952483105.db2.gz VIUBASXQNOBTAB-QWRGUYRKSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575197397 952483102 /nfs/dbraw/zinc/48/31/02/952483102.db2.gz VIUBASXQNOBTAB-QWRGUYRKSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575197398 952484453 /nfs/dbraw/zinc/48/44/53/952484453.db2.gz VIUBASXQNOBTAB-WDEREUQCSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575197398 952484450 /nfs/dbraw/zinc/48/44/50/952484450.db2.gz VIUBASXQNOBTAB-WDEREUQCSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575197708 952487239 /nfs/dbraw/zinc/48/72/39/952487239.db2.gz YUOFDYJDVSJZMA-CMPLNLGQSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575197708 952487235 /nfs/dbraw/zinc/48/72/35/952487235.db2.gz YUOFDYJDVSJZMA-CMPLNLGQSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575197710 952487158 /nfs/dbraw/zinc/48/71/58/952487158.db2.gz YUOFDYJDVSJZMA-JQWIXIFHSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@@H](Cc1ccco1)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575197710 952487154 /nfs/dbraw/zinc/48/71/54/952487154.db2.gz YUOFDYJDVSJZMA-JQWIXIFHSA-N -1 3 387.400 -0.127 20 0 GBADHM C[C@H](Cc1ccco1)C(=O)NC[C@@H](CO)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575197712 952487484 /nfs/dbraw/zinc/48/74/84/952487484.db2.gz YUOFDYJDVSJZMA-PWSUYJOCSA-N -1 3 387.400 -0.127 20 0 GBADHM 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C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575200278 952494702 /nfs/dbraw/zinc/49/47/02/952494702.db2.gz HZPQDTLEWHFPNO-NSHDSACASA-N -1 3 385.432 -0.005 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575200671 952498143 /nfs/dbraw/zinc/49/81/43/952498143.db2.gz KGGMFRZKSZUYFP-JTQLQIEISA-N -1 3 383.416 -0.252 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575200671 952498142 /nfs/dbraw/zinc/49/81/42/952498142.db2.gz KGGMFRZKSZUYFP-JTQLQIEISA-N -1 3 383.416 -0.252 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NC1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575200673 952498136 /nfs/dbraw/zinc/49/81/36/952498136.db2.gz KGGMFRZKSZUYFP-SNVBAGLBSA-N -1 3 383.416 -0.252 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NC1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575200673 952498134 /nfs/dbraw/zinc/49/81/34/952498134.db2.gz KGGMFRZKSZUYFP-SNVBAGLBSA-N -1 3 383.416 -0.252 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001575200828 952499751 /nfs/dbraw/zinc/49/97/51/952499751.db2.gz LXAQSCPBINTOHA-FTYKPCCVSA-N -1 3 380.416 -0.191 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001575200828 952499747 /nfs/dbraw/zinc/49/97/47/952499747.db2.gz LXAQSCPBINTOHA-FTYKPCCVSA-N -1 3 380.416 -0.191 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001575200832 952499687 /nfs/dbraw/zinc/49/96/87/952499687.db2.gz LXAQSCPBINTOHA-XEZLXBQYSA-N -1 3 380.416 -0.191 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001575200832 952499684 /nfs/dbraw/zinc/49/96/84/952499684.db2.gz LXAQSCPBINTOHA-XEZLXBQYSA-N -1 3 380.416 -0.191 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200985 952499468 /nfs/dbraw/zinc/49/94/68/952499468.db2.gz MHEKDFRDHGQGGU-IJLUTSLNSA-N -1 3 382.432 -0.013 20 0 GBADHM 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C[C@@H](Cc1c[nH]cn1)C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200991 952498963 /nfs/dbraw/zinc/49/89/63/952498963.db2.gz MHEKDFRDHGQGGU-UNXYVOJBSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)NCC1CC(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200991 952498960 /nfs/dbraw/zinc/49/89/60/952498960.db2.gz MHEKDFRDHGQGGU-UNXYVOJBSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200993 952499660 /nfs/dbraw/zinc/49/96/60/952499660.db2.gz MHEKDFRDHGQGGU-UTUOFQBUSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200993 952499658 /nfs/dbraw/zinc/49/96/58/952499658.db2.gz MHEKDFRDHGQGGU-UTUOFQBUSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575200994 952499597 /nfs/dbraw/zinc/49/95/97/952499597.db2.gz MHEKDFRDHGQGGU-VOMCLLRMSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)NCC1CC(Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575200994 952499594 /nfs/dbraw/zinc/49/95/94/952499594.db2.gz MHEKDFRDHGQGGU-VOMCLLRMSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575201006 952498981 /nfs/dbraw/zinc/49/89/81/952498981.db2.gz MVNUBWBQCUXZIY-PQFRYHKHSA-N -1 3 380.416 -0.191 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001575201006 952498977 /nfs/dbraw/zinc/49/89/77/952498977.db2.gz MVNUBWBQCUXZIY-PQFRYHKHSA-N -1 3 380.416 -0.191 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001575201009 952499853 /nfs/dbraw/zinc/49/98/53/952499853.db2.gz MVNUBWBQCUXZIY-WUWHUORYSA-N -1 3 380.416 -0.191 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]21 ZINC001575201009 952499851 /nfs/dbraw/zinc/49/98/51/952499851.db2.gz MVNUBWBQCUXZIY-WUWHUORYSA-N -1 3 380.416 -0.191 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575201077 952500641 /nfs/dbraw/zinc/50/06/41/952500641.db2.gz NFXJVQXYESVLID-JTQLQIEISA-N -1 3 383.416 -0.252 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575201077 952500634 /nfs/dbraw/zinc/50/06/34/952500634.db2.gz NFXJVQXYESVLID-JTQLQIEISA-N -1 3 383.416 -0.252 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575201081 952500556 /nfs/dbraw/zinc/50/05/56/952500556.db2.gz NFXJVQXYESVLID-SNVBAGLBSA-N -1 3 383.416 -0.252 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575201081 952500544 /nfs/dbraw/zinc/50/05/44/952500544.db2.gz NFXJVQXYESVLID-SNVBAGLBSA-N -1 3 383.416 -0.252 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575201862 952508784 /nfs/dbraw/zinc/50/87/84/952508784.db2.gz RQEMKSUCUBQTDP-IJLUTSLNSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575201862 952508779 /nfs/dbraw/zinc/50/87/79/952508779.db2.gz RQEMKSUCUBQTDP-IJLUTSLNSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575201864 952509050 /nfs/dbraw/zinc/50/90/50/952509050.db2.gz RQEMKSUCUBQTDP-SRVKXCTJSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575201864 952509046 /nfs/dbraw/zinc/50/90/46/952509046.db2.gz RQEMKSUCUBQTDP-SRVKXCTJSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575201866 952509208 /nfs/dbraw/zinc/50/92/08/952509208.db2.gz RQEMKSUCUBQTDP-UNXYVOJBSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC1CC(CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575201866 952509203 /nfs/dbraw/zinc/50/92/03/952509203.db2.gz RQEMKSUCUBQTDP-UNXYVOJBSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575201868 952508554 /nfs/dbraw/zinc/50/85/54/952508554.db2.gz RQEMKSUCUBQTDP-VOMCLLRMSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)NC1CC(CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575201868 952508547 /nfs/dbraw/zinc/50/85/47/952508547.db2.gz RQEMKSUCUBQTDP-VOMCLLRMSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001575201896 952508935 /nfs/dbraw/zinc/50/89/35/952508935.db2.gz RYVHYIGBCLIBPE-APAOZMKASA-N -1 3 380.416 -0.191 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]21 ZINC001575201898 952508101 /nfs/dbraw/zinc/50/81/01/952508101.db2.gz RYVHYIGBCLIBPE-NYMYIZQJSA-N -1 3 380.416 -0.191 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575201908 952509241 /nfs/dbraw/zinc/50/92/41/952509241.db2.gz SERKLDWJNDLTBS-GWCFXTLKSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001575201908 952509235 /nfs/dbraw/zinc/50/92/35/952509235.db2.gz SERKLDWJNDLTBS-GWCFXTLKSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575201910 952508047 /nfs/dbraw/zinc/50/80/47/952508047.db2.gz SERKLDWJNDLTBS-GXFFZTMASA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001575201910 952508038 /nfs/dbraw/zinc/50/80/38/952508038.db2.gz SERKLDWJNDLTBS-GXFFZTMASA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1 ZINC001575201912 952508652 /nfs/dbraw/zinc/50/86/52/952508652.db2.gz SERKLDWJNDLTBS-MFKMUULPSA-N -1 3 382.432 -0.013 20 0 GBADHM C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CC1 ZINC001575201912 952508644 /nfs/dbraw/zinc/50/86/44/952508644.db2.gz SERKLDWJNDLTBS-MFKMUULPSA-N -1 3 382.432 -0.013 20 0 GBADHM 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DRJDBJIYQJRKCB-RISCZKNCSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575205751 952527291 /nfs/dbraw/zinc/52/72/91/952527291.db2.gz DRJDBJIYQJRKCB-SMDDNHRTSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575205751 952527288 /nfs/dbraw/zinc/52/72/88/952527288.db2.gz DRJDBJIYQJRKCB-SMDDNHRTSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575205897 952526990 /nfs/dbraw/zinc/52/69/90/952526990.db2.gz FUWVRURDKJYGNX-LLVKDONJSA-N -1 3 385.432 -0.005 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575205897 952526983 /nfs/dbraw/zinc/52/69/83/952526983.db2.gz FUWVRURDKJYGNX-LLVKDONJSA-N -1 3 385.432 -0.005 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575205901 952527031 /nfs/dbraw/zinc/52/70/31/952527031.db2.gz FUWVRURDKJYGNX-NSHDSACASA-N -1 3 385.432 -0.005 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575205901 952527026 /nfs/dbraw/zinc/52/70/26/952527026.db2.gz FUWVRURDKJYGNX-NSHDSACASA-N -1 3 385.432 -0.005 20 0 GBADHM CC(F)(F)C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575206011 952527080 /nfs/dbraw/zinc/52/70/80/952527080.db2.gz GECVOTBNZZTFQC-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)C(=O)N1CCC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575206011 952527075 /nfs/dbraw/zinc/52/70/75/952527075.db2.gz GECVOTBNZZTFQC-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575206027 952528611 /nfs/dbraw/zinc/52/86/11/952528611.db2.gz GNCXRDPGBKDKKP-BXUZGUMPSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575206027 952528609 /nfs/dbraw/zinc/52/86/09/952528609.db2.gz GNCXRDPGBKDKKP-BXUZGUMPSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575206029 952528054 /nfs/dbraw/zinc/52/80/54/952528054.db2.gz GNCXRDPGBKDKKP-FZMZJTMJSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575206029 952528048 /nfs/dbraw/zinc/52/80/48/952528048.db2.gz GNCXRDPGBKDKKP-FZMZJTMJSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575206032 952527869 /nfs/dbraw/zinc/52/78/69/952527869.db2.gz GNCXRDPGBKDKKP-RISCZKNCSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575206032 952527864 /nfs/dbraw/zinc/52/78/64/952527864.db2.gz GNCXRDPGBKDKKP-RISCZKNCSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575206035 952528464 /nfs/dbraw/zinc/52/84/64/952528464.db2.gz GNCXRDPGBKDKKP-SMDDNHRTSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575206035 952528461 /nfs/dbraw/zinc/52/84/61/952528461.db2.gz GNCXRDPGBKDKKP-SMDDNHRTSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575206683 952531142 /nfs/dbraw/zinc/53/11/42/952531142.db2.gz LGGIWKGUIXJQNM-LLVKDONJSA-N -1 3 385.432 -0.005 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575206683 952531137 /nfs/dbraw/zinc/53/11/37/952531137.db2.gz LGGIWKGUIXJQNM-LLVKDONJSA-N -1 3 385.432 -0.005 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575206686 952531177 /nfs/dbraw/zinc/53/11/77/952531177.db2.gz LGGIWKGUIXJQNM-NSHDSACASA-N -1 3 385.432 -0.005 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575206686 952531175 /nfs/dbraw/zinc/53/11/75/952531175.db2.gz LGGIWKGUIXJQNM-NSHDSACASA-N -1 3 385.432 -0.005 20 0 GBADHM C[C@@](Cn1cccn1)(NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC001575206739 952531045 /nfs/dbraw/zinc/53/10/45/952531045.db2.gz LOOUPKXAMHJMDF-AWEZNQCLSA-N -1 3 376.402 -0.714 20 0 GBADHM C[C@@](Cn1cccn1)(NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC001575206739 952531039 /nfs/dbraw/zinc/53/10/39/952531039.db2.gz LOOUPKXAMHJMDF-AWEZNQCLSA-N -1 3 376.402 -0.714 20 0 GBADHM C[C@](Cn1cccn1)(NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC001575206746 952530797 /nfs/dbraw/zinc/53/07/97/952530797.db2.gz LOOUPKXAMHJMDF-CQSZACIVSA-N -1 3 376.402 -0.714 20 0 GBADHM C[C@](Cn1cccn1)(NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC001575206746 952530793 /nfs/dbraw/zinc/53/07/93/952530793.db2.gz LOOUPKXAMHJMDF-CQSZACIVSA-N -1 3 376.402 -0.714 20 0 GBADHM CC(F)(F)C(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001575207202 952532424 /nfs/dbraw/zinc/53/24/24/952532424.db2.gz OOHYMUOJBBYXBP-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)C(=O)N1CCC(CO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001575207202 952532422 /nfs/dbraw/zinc/53/24/22/952532422.db2.gz OOHYMUOJBBYXBP-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)C(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nn[n-]n3)[nH]1)CCO2 ZINC001575207248 952533650 /nfs/dbraw/zinc/53/36/50/952533650.db2.gz POYFYFJUVMEWCJ-UHFFFAOYSA-N -1 3 381.343 -0.097 20 0 GBADHM CC(F)(F)C(=O)N1CC2(C1)CN(C(=O)c1ccc(-c3nnn[n-]3)[nH]1)CCO2 ZINC001575207248 952533647 /nfs/dbraw/zinc/53/36/47/952533647.db2.gz POYFYFJUVMEWCJ-UHFFFAOYSA-N -1 3 381.343 -0.097 20 0 GBADHM C[C@@](Cn1cccn1)(NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC001575207540 952533823 /nfs/dbraw/zinc/53/38/23/952533823.db2.gz QYVHJAODQSMLJZ-KRWDZBQOSA-N -1 3 383.416 -0.787 20 0 GBADHM C[C@](Cn1cccn1)(NCC(=O)NCc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC001575207542 952533289 /nfs/dbraw/zinc/53/32/89/952533289.db2.gz QYVHJAODQSMLJZ-QGZVFWFLSA-N -1 3 383.416 -0.787 20 0 GBADHM CC(F)(F)C(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2 ZINC001575207574 952534504 /nfs/dbraw/zinc/53/45/04/952534504.db2.gz RIRQROBROLJAIR-SECBINFHSA-N -1 3 381.343 -0.050 20 0 GBADHM CC(F)(F)C(=O)N1CC2(C1)C[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2 ZINC001575207574 952534501 /nfs/dbraw/zinc/53/45/01/952534501.db2.gz RIRQROBROLJAIR-SECBINFHSA-N -1 3 381.343 -0.050 20 0 GBADHM CC(F)(F)C(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)CO2 ZINC001575207576 952534272 /nfs/dbraw/zinc/53/42/72/952534272.db2.gz RIRQROBROLJAIR-VIFPVBQESA-N -1 3 381.343 -0.050 20 0 GBADHM CC(F)(F)C(=O)N1CC2(C1)C[C@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)CO2 ZINC001575207576 952534267 /nfs/dbraw/zinc/53/42/67/952534267.db2.gz RIRQROBROLJAIR-VIFPVBQESA-N -1 3 381.343 -0.050 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575207585 952534450 /nfs/dbraw/zinc/53/44/50/952534450.db2.gz RMURUYQAVCNKKX-BXUZGUMPSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575207585 952534448 /nfs/dbraw/zinc/53/44/48/952534448.db2.gz RMURUYQAVCNKKX-BXUZGUMPSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575207587 952534461 /nfs/dbraw/zinc/53/44/61/952534461.db2.gz RMURUYQAVCNKKX-FZMZJTMJSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575207587 952534459 /nfs/dbraw/zinc/53/44/59/952534459.db2.gz RMURUYQAVCNKKX-FZMZJTMJSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575207589 952535132 /nfs/dbraw/zinc/53/51/32/952535132.db2.gz RMURUYQAVCNKKX-RISCZKNCSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575207589 952535129 /nfs/dbraw/zinc/53/51/29/952535129.db2.gz RMURUYQAVCNKKX-RISCZKNCSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575207591 952534602 /nfs/dbraw/zinc/53/46/02/952534602.db2.gz RMURUYQAVCNKKX-SMDDNHRTSA-N -1 3 385.432 -0.237 20 0 GBADHM C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575207591 952534598 /nfs/dbraw/zinc/53/45/98/952534598.db2.gz RMURUYQAVCNKKX-SMDDNHRTSA-N -1 3 385.432 -0.237 20 0 GBADHM CC(F)(F)C(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nn[n-]n3)c[nH]1)CCO2 ZINC001575207855 952535565 /nfs/dbraw/zinc/53/55/65/952535565.db2.gz UIUZCDMNOLZPIR-UHFFFAOYSA-N -1 3 381.343 -0.097 20 0 GBADHM CC(F)(F)C(=O)N1CC2(C1)CN(C(=O)c1cc(-c3nnn[n-]3)c[nH]1)CCO2 ZINC001575207855 952535563 /nfs/dbraw/zinc/53/55/63/952535563.db2.gz UIUZCDMNOLZPIR-UHFFFAOYSA-N -1 3 381.343 -0.097 20 0 GBADHM CC(F)(F)C(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001575207856 952535806 /nfs/dbraw/zinc/53/58/06/952535806.db2.gz UJZLILMEMQWYCP-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)C(=O)N1CCC(CO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575207856 952535804 /nfs/dbraw/zinc/53/58/04/952535804.db2.gz UJZLILMEMQWYCP-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001575207873 952535944 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CC(F)(F)C1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001575223985 948778088 /nfs/dbraw/zinc/77/80/88/948778088.db2.gz RXYGCTNMWVAVPF-VIFPVBQESA-N -1 3 383.359 -0.163 20 0 GBADHM CC(F)(F)C1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@@H]2O)CC1 ZINC001575224445 948785940 /nfs/dbraw/zinc/78/59/40/948785940.db2.gz WGYIJBCANCKKLK-MNOVXSKESA-N -1 3 395.370 -0.068 20 0 GBADHM CC(F)(F)C1(C(=O)N[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@@H]2O)CC1 ZINC001575224445 948785925 /nfs/dbraw/zinc/78/59/25/948785925.db2.gz WGYIJBCANCKKLK-MNOVXSKESA-N -1 3 395.370 -0.068 20 0 GBADHM CC(F)(F)CC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575224919 948793664 /nfs/dbraw/zinc/79/36/64/948793664.db2.gz UGLJOMBWQMXGHP-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)NC1(CCO)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575224919 948793652 /nfs/dbraw/zinc/79/36/52/948793652.db2.gz UGLJOMBWQMXGHP-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575225944 948808844 /nfs/dbraw/zinc/80/88/44/948808844.db2.gz GVPKEGXVWFWWST-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575225944 948808825 /nfs/dbraw/zinc/80/88/25/948808825.db2.gz GVPKEGXVWFWWST-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575226118 948812479 /nfs/dbraw/zinc/81/24/79/948812479.db2.gz ILTDUMNRTWAEQQ-HNNXBMFYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575226118 948812458 /nfs/dbraw/zinc/81/24/58/948812458.db2.gz ILTDUMNRTWAEQQ-HNNXBMFYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575226122 948813769 /nfs/dbraw/zinc/81/37/69/948813769.db2.gz ILTDUMNRTWAEQQ-OAHLLOKOSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575226122 948813745 /nfs/dbraw/zinc/81/37/45/948813745.db2.gz ILTDUMNRTWAEQQ-OAHLLOKOSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001575226432 948816717 /nfs/dbraw/zinc/81/67/17/948816717.db2.gz MCZGHQLUBXKYTP-GXSJLCMTSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001575226432 948816707 /nfs/dbraw/zinc/81/67/07/948816707.db2.gz MCZGHQLUBXKYTP-GXSJLCMTSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001575226433 948819344 /nfs/dbraw/zinc/81/93/44/948819344.db2.gz MCZGHQLUBXKYTP-KOLCDFICSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001575226433 948819321 /nfs/dbraw/zinc/81/93/21/948819321.db2.gz MCZGHQLUBXKYTP-KOLCDFICSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](O)C1 ZINC001575226434 948817329 /nfs/dbraw/zinc/81/73/29/948817329.db2.gz MCZGHQLUBXKYTP-MWLCHTKSSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](O)C1 ZINC001575226434 948817311 /nfs/dbraw/zinc/81/73/11/948817311.db2.gz MCZGHQLUBXKYTP-MWLCHTKSSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001575226435 948816780 /nfs/dbraw/zinc/81/67/80/948816780.db2.gz MCZGHQLUBXKYTP-ONGXEEELSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001575226435 948816762 /nfs/dbraw/zinc/81/67/62/948816762.db2.gz MCZGHQLUBXKYTP-ONGXEEELSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575226512 948817729 /nfs/dbraw/zinc/81/77/29/948817729.db2.gz MXVZGRSCRQWDGH-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575226512 948817716 /nfs/dbraw/zinc/81/77/16/948817716.db2.gz MXVZGRSCRQWDGH-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001575226561 948819676 /nfs/dbraw/zinc/81/96/76/948819676.db2.gz NOGKRWGENQQBET-GZMMTYOYSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001575226561 948819669 /nfs/dbraw/zinc/81/96/69/948819669.db2.gz NOGKRWGENQQBET-GZMMTYOYSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001575226566 948818504 /nfs/dbraw/zinc/81/85/04/948818504.db2.gz NOGKRWGENQQBET-KCJUWKMLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001575226566 948818485 /nfs/dbraw/zinc/81/84/85/948818485.db2.gz NOGKRWGENQQBET-KCJUWKMLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001575226570 948820971 /nfs/dbraw/zinc/82/09/71/948820971.db2.gz NOGKRWGENQQBET-KWQFWETISA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001575226570 948820956 /nfs/dbraw/zinc/82/09/56/948820956.db2.gz NOGKRWGENQQBET-KWQFWETISA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](O)C1 ZINC001575226575 948821145 /nfs/dbraw/zinc/82/11/45/948821145.db2.gz NOGKRWGENQQBET-LDYMZIIASA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@H](O)C1 ZINC001575226575 948821128 /nfs/dbraw/zinc/82/11/28/948821128.db2.gz NOGKRWGENQQBET-LDYMZIIASA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575226925 948823635 /nfs/dbraw/zinc/82/36/35/948823635.db2.gz PEIFRPYJFDXNCK-HNNXBMFYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575226925 948823624 /nfs/dbraw/zinc/82/36/24/948823624.db2.gz PEIFRPYJFDXNCK-HNNXBMFYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575226926 948822332 /nfs/dbraw/zinc/82/23/32/948822332.db2.gz PEIFRPYJFDXNCK-OAHLLOKOSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575226926 948822324 /nfs/dbraw/zinc/82/23/24/948822324.db2.gz PEIFRPYJFDXNCK-OAHLLOKOSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575227097 948826005 /nfs/dbraw/zinc/82/60/05/948826005.db2.gz RRYZVCTWIGYDKC-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575227097 948825985 /nfs/dbraw/zinc/82/59/85/948825985.db2.gz RRYZVCTWIGYDKC-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575227296 948825335 /nfs/dbraw/zinc/82/53/35/948825335.db2.gz SJWGZIDUBSFVSS-HNNXBMFYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575227296 948825328 /nfs/dbraw/zinc/82/53/28/948825328.db2.gz SJWGZIDUBSFVSS-HNNXBMFYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575227299 948826338 /nfs/dbraw/zinc/82/63/38/948826338.db2.gz SJWGZIDUBSFVSS-OAHLLOKOSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575227299 948826325 /nfs/dbraw/zinc/82/63/25/948826325.db2.gz SJWGZIDUBSFVSS-OAHLLOKOSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)NCCN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001575229483 948845007 /nfs/dbraw/zinc/84/50/07/948845007.db2.gz JPVUSPBPDWMSDC-UHFFFAOYSA-N -1 3 381.391 -0.060 20 0 GBADHM CC(F)(F)CC(=O)NCCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001575229607 948851467 /nfs/dbraw/zinc/85/14/67/948851467.db2.gz NYTAFWZWSZLOAH-UHFFFAOYSA-N -1 3 381.391 -0.060 20 0 GBADHM CC(F)(F)CC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575231906 948869003 /nfs/dbraw/zinc/86/90/03/948869003.db2.gz AMCKMRKXNLJTFJ-HNNXBMFYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)NC[C@@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575231906 948868987 /nfs/dbraw/zinc/86/89/87/948868987.db2.gz AMCKMRKXNLJTFJ-HNNXBMFYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575231907 948871822 /nfs/dbraw/zinc/87/18/22/948871822.db2.gz AMCKMRKXNLJTFJ-OAHLLOKOSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)NC[C@]1(O)CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575231907 948871803 /nfs/dbraw/zinc/87/18/03/948871803.db2.gz AMCKMRKXNLJTFJ-OAHLLOKOSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001575233153 948883338 /nfs/dbraw/zinc/88/33/38/948883338.db2.gz HIRMSMJQIAJWFP-GXSJLCMTSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001575233153 948883317 /nfs/dbraw/zinc/88/33/17/948883317.db2.gz HIRMSMJQIAJWFP-GXSJLCMTSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001575233154 948883014 /nfs/dbraw/zinc/88/30/14/948883014.db2.gz HIRMSMJQIAJWFP-KOLCDFICSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001575233154 948882999 /nfs/dbraw/zinc/88/29/99/948882999.db2.gz HIRMSMJQIAJWFP-KOLCDFICSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001575233157 948883071 /nfs/dbraw/zinc/88/30/71/948883071.db2.gz HIRMSMJQIAJWFP-MWLCHTKSSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001575233157 948883050 /nfs/dbraw/zinc/88/30/50/948883050.db2.gz HIRMSMJQIAJWFP-MWLCHTKSSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001575233160 948881856 /nfs/dbraw/zinc/88/18/56/948881856.db2.gz HIRMSMJQIAJWFP-ONGXEEELSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001575233160 948881836 /nfs/dbraw/zinc/88/18/36/948881836.db2.gz HIRMSMJQIAJWFP-ONGXEEELSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001575233485 948886146 /nfs/dbraw/zinc/88/61/46/948886146.db2.gz JJHRZFRUVDWGPQ-GZMMTYOYSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001575233485 948886128 /nfs/dbraw/zinc/88/61/28/948886128.db2.gz JJHRZFRUVDWGPQ-GZMMTYOYSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001575233486 948885451 /nfs/dbraw/zinc/88/54/51/948885451.db2.gz JJHRZFRUVDWGPQ-KCJUWKMLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001575233486 948885433 /nfs/dbraw/zinc/88/54/33/948885433.db2.gz JJHRZFRUVDWGPQ-KCJUWKMLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001575233487 948886982 /nfs/dbraw/zinc/88/69/82/948886982.db2.gz JJHRZFRUVDWGPQ-KWQFWETISA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001575233487 948886960 /nfs/dbraw/zinc/88/69/60/948886960.db2.gz JJHRZFRUVDWGPQ-KWQFWETISA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1O ZINC001575233488 948886640 /nfs/dbraw/zinc/88/66/40/948886640.db2.gz JJHRZFRUVDWGPQ-LDYMZIIASA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)N[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1O ZINC001575233488 948886617 /nfs/dbraw/zinc/88/66/17/948886617.db2.gz JJHRZFRUVDWGPQ-LDYMZIIASA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575234078 948894199 /nfs/dbraw/zinc/89/41/99/948894199.db2.gz NRXZJBDNZZCVLB-HNNXBMFYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)NC[C@@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575234078 948894175 /nfs/dbraw/zinc/89/41/75/948894175.db2.gz NRXZJBDNZZCVLB-HNNXBMFYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575234079 948895359 /nfs/dbraw/zinc/89/53/59/948895359.db2.gz NRXZJBDNZZCVLB-OAHLLOKOSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)NC[C@]1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575234079 948895349 /nfs/dbraw/zinc/89/53/49/948895349.db2.gz NRXZJBDNZZCVLB-OAHLLOKOSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575234301 948898125 /nfs/dbraw/zinc/89/81/25/948898125.db2.gz ASIFNHOSJLMSLW-GHMZBOCLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575234301 948898116 /nfs/dbraw/zinc/89/81/16/948898116.db2.gz ASIFNHOSJLMSLW-GHMZBOCLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001575234302 948898765 /nfs/dbraw/zinc/89/87/65/948898765.db2.gz ASIFNHOSJLMSLW-MNOVXSKESA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001575234302 948898743 /nfs/dbraw/zinc/89/87/43/948898743.db2.gz ASIFNHOSJLMSLW-MNOVXSKESA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575234813 948909223 /nfs/dbraw/zinc/90/92/23/948909223.db2.gz GMBRBNHAAQVALZ-GHMZBOCLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575234813 948909212 /nfs/dbraw/zinc/90/92/12/948909212.db2.gz GMBRBNHAAQVALZ-GHMZBOCLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001575234815 948909312 /nfs/dbraw/zinc/90/93/12/948909312.db2.gz GMBRBNHAAQVALZ-MNOVXSKESA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001575234815 948909298 /nfs/dbraw/zinc/90/92/98/948909298.db2.gz GMBRBNHAAQVALZ-MNOVXSKESA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575234839 948910365 /nfs/dbraw/zinc/91/03/65/948910365.db2.gz HGBKTZPTQAPJGU-GHMZBOCLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575234839 948910355 /nfs/dbraw/zinc/91/03/55/948910355.db2.gz HGBKTZPTQAPJGU-GHMZBOCLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H](O)C1 ZINC001575234840 948908020 /nfs/dbraw/zinc/90/80/20/948908020.db2.gz HGBKTZPTQAPJGU-MNOVXSKESA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H](O)C1 ZINC001575234840 948908011 /nfs/dbraw/zinc/90/80/11/948908011.db2.gz HGBKTZPTQAPJGU-MNOVXSKESA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575235031 948909734 /nfs/dbraw/zinc/90/97/34/948909734.db2.gz SHVGENBMLKNFIL-HNNXBMFYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)NC[C@@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575235031 948909718 /nfs/dbraw/zinc/90/97/18/948909718.db2.gz SHVGENBMLKNFIL-HNNXBMFYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575235032 948909777 /nfs/dbraw/zinc/90/97/77/948909777.db2.gz SHVGENBMLKNFIL-OAHLLOKOSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CC(=O)NC[C@]1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575235032 948909764 /nfs/dbraw/zinc/90/97/64/948909764.db2.gz SHVGENBMLKNFIL-OAHLLOKOSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575235487 948920803 /nfs/dbraw/zinc/92/08/03/948920803.db2.gz MOQFMUNQVQZKKW-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CCC(=O)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575235487 948920793 /nfs/dbraw/zinc/92/07/93/948920793.db2.gz MOQFMUNQVQZKKW-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575235494 948919878 /nfs/dbraw/zinc/91/98/78/948919878.db2.gz MRWHKSBXWKVKGA-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CCC(=O)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575235494 948919865 /nfs/dbraw/zinc/91/98/65/948919865.db2.gz MRWHKSBXWKVKGA-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1O ZINC001575236927 948941948 /nfs/dbraw/zinc/94/19/48/948941948.db2.gz BPVPJOGKERCMEX-GHMZBOCLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1O ZINC001575236927 948941935 /nfs/dbraw/zinc/94/19/35/948941935.db2.gz BPVPJOGKERCMEX-GHMZBOCLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1O ZINC001575236929 948942698 /nfs/dbraw/zinc/94/26/98/948942698.db2.gz BPVPJOGKERCMEX-MNOVXSKESA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1O ZINC001575236929 948942686 /nfs/dbraw/zinc/94/26/86/948942686.db2.gz BPVPJOGKERCMEX-MNOVXSKESA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575237926 948952341 /nfs/dbraw/zinc/95/23/41/948952341.db2.gz JEXULMLAHNFMBE-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CCC(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575237926 948952330 /nfs/dbraw/zinc/95/23/30/948952330.db2.gz JEXULMLAHNFMBE-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CCC(=O)N[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1O ZINC001575237944 948951030 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OETJXFFNIVRJIA-GHMZBOCLSA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1O ZINC001575238945 948958832 /nfs/dbraw/zinc/95/88/32/948958832.db2.gz OETJXFFNIVRJIA-MNOVXSKESA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)N[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H]1O ZINC001575238945 948958825 /nfs/dbraw/zinc/95/88/25/948958825.db2.gz OETJXFFNIVRJIA-MNOVXSKESA-N -1 3 383.359 -0.068 20 0 GBADHM CC(F)(F)CCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575239030 948958315 /nfs/dbraw/zinc/95/83/15/948958315.db2.gz PIVFHHWLQZVZOK-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM CC(F)(F)CCC(=O)NCC1(O)CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575239030 948958308 /nfs/dbraw/zinc/95/83/08/948958308.db2.gz PIVFHHWLQZVZOK-UHFFFAOYSA-N -1 3 383.359 -0.067 20 0 GBADHM C[C@H](F)CCN1CC(N2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2=O)C1 ZINC001575243800 949001736 /nfs/dbraw/zinc/00/17/36/949001736.db2.gz ROAISMYLSPQMIF-CMPLNLGQSA-N -1 3 390.423 -0.042 20 0 GBADHM C[C@H](F)CCN1CC(N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2=O)C1 ZINC001575243801 949002166 /nfs/dbraw/zinc/00/21/66/949002166.db2.gz ROAISMYLSPQMIF-JQWIXIFHSA-N -1 3 390.423 -0.042 20 0 GBADHM C[C@@H](F)CCN1CC(N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2=O)C1 ZINC001575243802 949002454 /nfs/dbraw/zinc/00/24/54/949002454.db2.gz ROAISMYLSPQMIF-PWSUYJOCSA-N -1 3 390.423 -0.042 20 0 GBADHM C[C@@H](F)CCN1CC(N2C[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2=O)C1 ZINC001575243803 949002789 /nfs/dbraw/zinc/00/27/89/949002789.db2.gz ROAISMYLSPQMIF-ZYHUDNBSSA-N -1 3 390.423 -0.042 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575245381 949022006 /nfs/dbraw/zinc/02/20/06/949022006.db2.gz AVHVSMLJTMPJLZ-CMPLNLGQSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575245381 949021985 /nfs/dbraw/zinc/02/19/85/949021985.db2.gz AVHVSMLJTMPJLZ-CMPLNLGQSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575245382 949025587 /nfs/dbraw/zinc/02/55/87/949025587.db2.gz AVHVSMLJTMPJLZ-JQWIXIFHSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575245382 949025568 /nfs/dbraw/zinc/02/55/68/949025568.db2.gz AVHVSMLJTMPJLZ-JQWIXIFHSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575245385 949021576 /nfs/dbraw/zinc/02/15/76/949021576.db2.gz AVHVSMLJTMPJLZ-PWSUYJOCSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575245385 949021559 /nfs/dbraw/zinc/02/15/59/949021559.db2.gz AVHVSMLJTMPJLZ-PWSUYJOCSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575245386 949024454 /nfs/dbraw/zinc/02/44/54/949024454.db2.gz AVHVSMLJTMPJLZ-ZYHUDNBSSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575245386 949024435 /nfs/dbraw/zinc/02/44/35/949024435.db2.gz AVHVSMLJTMPJLZ-ZYHUDNBSSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575245407 949022298 /nfs/dbraw/zinc/02/22/98/949022298.db2.gz BJWWJENEFUHFHF-CMPLNLGQSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575245407 949022277 /nfs/dbraw/zinc/02/22/77/949022277.db2.gz BJWWJENEFUHFHF-CMPLNLGQSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575245408 949024396 /nfs/dbraw/zinc/02/43/96/949024396.db2.gz BJWWJENEFUHFHF-JQWIXIFHSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575245408 949024376 /nfs/dbraw/zinc/02/43/76/949024376.db2.gz BJWWJENEFUHFHF-JQWIXIFHSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575245410 949021889 /nfs/dbraw/zinc/02/18/89/949021889.db2.gz BJWWJENEFUHFHF-PWSUYJOCSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575245410 949021870 /nfs/dbraw/zinc/02/18/70/949021870.db2.gz BJWWJENEFUHFHF-PWSUYJOCSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575245412 949026463 /nfs/dbraw/zinc/02/64/63/949026463.db2.gz BJWWJENEFUHFHF-ZYHUDNBSSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575245412 949026443 /nfs/dbraw/zinc/02/64/43/949026443.db2.gz BJWWJENEFUHFHF-ZYHUDNBSSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001575247610 949050610 /nfs/dbraw/zinc/05/06/10/949050610.db2.gz KJIBWJUGDIHPSG-GHMZBOCLSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001575247610 949050593 /nfs/dbraw/zinc/05/05/93/949050593.db2.gz KJIBWJUGDIHPSG-GHMZBOCLSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001575247611 949048571 /nfs/dbraw/zinc/04/85/71/949048571.db2.gz KJIBWJUGDIHPSG-MNOVXSKESA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001575247611 949048552 /nfs/dbraw/zinc/04/85/52/949048552.db2.gz KJIBWJUGDIHPSG-MNOVXSKESA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001575247612 949050440 /nfs/dbraw/zinc/05/04/40/949050440.db2.gz KJIBWJUGDIHPSG-QWRGUYRKSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001575247612 949050424 /nfs/dbraw/zinc/05/04/24/949050424.db2.gz KJIBWJUGDIHPSG-QWRGUYRKSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](CO)Nc1ncccc1-c1nn[n-]n1 ZINC001575247613 949048397 /nfs/dbraw/zinc/04/83/97/949048397.db2.gz KJIBWJUGDIHPSG-WDEREUQCSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](CO)Nc1ncccc1-c1nnn[n-]1 ZINC001575247613 949048380 /nfs/dbraw/zinc/04/83/80/949048380.db2.gz KJIBWJUGDIHPSG-WDEREUQCSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001575247871 949053528 /nfs/dbraw/zinc/05/35/28/949053528.db2.gz LBUXRLBUOFHRCH-GHMZBOCLSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001575247871 949053514 /nfs/dbraw/zinc/05/35/14/949053514.db2.gz LBUXRLBUOFHRCH-GHMZBOCLSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001575247872 949053300 /nfs/dbraw/zinc/05/33/00/949053300.db2.gz LBUXRLBUOFHRCH-MNOVXSKESA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001575247872 949053283 /nfs/dbraw/zinc/05/32/83/949053283.db2.gz LBUXRLBUOFHRCH-MNOVXSKESA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001575247873 949054717 /nfs/dbraw/zinc/05/47/17/949054717.db2.gz LBUXRLBUOFHRCH-QWRGUYRKSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001575247873 949054698 /nfs/dbraw/zinc/05/46/98/949054698.db2.gz LBUXRLBUOFHRCH-QWRGUYRKSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)CNc1ncccc1-c1nn[n-]n1 ZINC001575247874 949053105 /nfs/dbraw/zinc/05/31/05/949053105.db2.gz LBUXRLBUOFHRCH-WDEREUQCSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)CNc1ncccc1-c1nnn[n-]1 ZINC001575247874 949053087 /nfs/dbraw/zinc/05/30/87/949053087.db2.gz LBUXRLBUOFHRCH-WDEREUQCSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575248104 949060563 /nfs/dbraw/zinc/06/05/63/949060563.db2.gz NLJXSUMXSVTRJM-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575248104 949060540 /nfs/dbraw/zinc/06/05/40/949060540.db2.gz NLJXSUMXSVTRJM-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575248105 949057516 /nfs/dbraw/zinc/05/75/16/949057516.db2.gz NLJXSUMXSVTRJM-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575248105 949057498 /nfs/dbraw/zinc/05/74/98/949057498.db2.gz NLJXSUMXSVTRJM-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575248120 949059901 /nfs/dbraw/zinc/05/99/01/949059901.db2.gz NWLBANDBBAHCQP-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575248120 949059887 /nfs/dbraw/zinc/05/98/87/949059887.db2.gz NWLBANDBBAHCQP-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575248121 949060764 /nfs/dbraw/zinc/06/07/64/949060764.db2.gz NWLBANDBBAHCQP-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575248121 949060749 /nfs/dbraw/zinc/06/07/49/949060749.db2.gz NWLBANDBBAHCQP-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575248197 949062792 /nfs/dbraw/zinc/06/27/92/949062792.db2.gz PLAJOSPZFXITSM-CMPLNLGQSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575248197 949062776 /nfs/dbraw/zinc/06/27/76/949062776.db2.gz PLAJOSPZFXITSM-CMPLNLGQSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575248199 949066736 /nfs/dbraw/zinc/06/67/36/949066736.db2.gz PLAJOSPZFXITSM-JQWIXIFHSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575248199 949066717 /nfs/dbraw/zinc/06/67/17/949066717.db2.gz PLAJOSPZFXITSM-JQWIXIFHSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575248201 949064389 /nfs/dbraw/zinc/06/43/89/949064389.db2.gz PLAJOSPZFXITSM-PWSUYJOCSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575248201 949064370 /nfs/dbraw/zinc/06/43/70/949064370.db2.gz PLAJOSPZFXITSM-PWSUYJOCSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001575248203 949066508 /nfs/dbraw/zinc/06/65/08/949066508.db2.gz PLAJOSPZFXITSM-ZYHUDNBSSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001575248203 949066493 /nfs/dbraw/zinc/06/64/93/949066493.db2.gz PLAJOSPZFXITSM-ZYHUDNBSSA-N -1 3 390.448 -0.299 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575248390 949070929 /nfs/dbraw/zinc/07/09/29/949070929.db2.gz RDQMYINXSIGSOH-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575248390 949070908 /nfs/dbraw/zinc/07/09/08/949070908.db2.gz RDQMYINXSIGSOH-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575248392 949071366 /nfs/dbraw/zinc/07/13/66/949071366.db2.gz RDQMYINXSIGSOH-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575248392 949071344 /nfs/dbraw/zinc/07/13/44/949071344.db2.gz RDQMYINXSIGSOH-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575248592 949072291 /nfs/dbraw/zinc/07/22/91/949072291.db2.gz ULYJYEDFDNRYDD-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575248592 949072272 /nfs/dbraw/zinc/07/22/72/949072272.db2.gz ULYJYEDFDNRYDD-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575248595 949073525 /nfs/dbraw/zinc/07/35/25/949073525.db2.gz ULYJYEDFDNRYDD-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575248595 949073504 /nfs/dbraw/zinc/07/35/04/949073504.db2.gz ULYJYEDFDNRYDD-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575248760 949082056 /nfs/dbraw/zinc/08/20/56/949082056.db2.gz VHAJIANAHXEIJD-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575248760 949082034 /nfs/dbraw/zinc/08/20/34/949082034.db2.gz VHAJIANAHXEIJD-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575248762 949079848 /nfs/dbraw/zinc/07/98/48/949079848.db2.gz VHAJIANAHXEIJD-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575248762 949079830 /nfs/dbraw/zinc/07/98/30/949079830.db2.gz VHAJIANAHXEIJD-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575248829 949078284 /nfs/dbraw/zinc/07/82/84/949078284.db2.gz WLCDYYWUXZBCHO-NXEZZACHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575248829 949078266 /nfs/dbraw/zinc/07/82/66/949078266.db2.gz WLCDYYWUXZBCHO-NXEZZACHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575248831 949081568 /nfs/dbraw/zinc/08/15/68/949081568.db2.gz WLCDYYWUXZBCHO-UWVGGRQHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575248831 949081547 /nfs/dbraw/zinc/08/15/47/949081547.db2.gz WLCDYYWUXZBCHO-UWVGGRQHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575248832 949080849 /nfs/dbraw/zinc/08/08/49/949080849.db2.gz WLCDYYWUXZBCHO-VHSXEESVSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575248832 949080828 /nfs/dbraw/zinc/08/08/28/949080828.db2.gz WLCDYYWUXZBCHO-VHSXEESVSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575248834 949079625 /nfs/dbraw/zinc/07/96/25/949079625.db2.gz WLCDYYWUXZBCHO-ZJUUUORDSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575248834 949079607 /nfs/dbraw/zinc/07/96/07/949079607.db2.gz WLCDYYWUXZBCHO-ZJUUUORDSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1nnc2c(=O)[nH]ccn21 ZINC001575249002 949086812 /nfs/dbraw/zinc/08/68/12/949086812.db2.gz AJBWNASODMPUNU-GZMMTYOYSA-N -1 3 381.356 -0.492 20 0 GBADHM C[C@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1nnc2c(=O)[nH]ccn21 ZINC001575249002 949086794 /nfs/dbraw/zinc/08/67/94/949086794.db2.gz AJBWNASODMPUNU-GZMMTYOYSA-N -1 3 381.356 -0.492 20 0 GBADHM C[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1nnc2c(=O)[nH]ccn21 ZINC001575249003 949084246 /nfs/dbraw/zinc/08/42/46/949084246.db2.gz AJBWNASODMPUNU-KCJUWKMLSA-N -1 3 381.356 -0.492 20 0 GBADHM C[C@@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1nnc2c(=O)[nH]ccn21 ZINC001575249003 949084227 /nfs/dbraw/zinc/08/42/27/949084227.db2.gz AJBWNASODMPUNU-KCJUWKMLSA-N -1 3 381.356 -0.492 20 0 GBADHM C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1nnc2c(=O)[nH]ccn21 ZINC001575249004 949085396 /nfs/dbraw/zinc/08/53/96/949085396.db2.gz AJBWNASODMPUNU-KWQFWETISA-N -1 3 381.356 -0.492 20 0 GBADHM C[C@H](NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1nnc2c(=O)[nH]ccn21 ZINC001575249004 949085379 /nfs/dbraw/zinc/08/53/79/949085379.db2.gz AJBWNASODMPUNU-KWQFWETISA-N -1 3 381.356 -0.492 20 0 GBADHM C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1nnc2c(=O)[nH]ccn21 ZINC001575249005 949082690 /nfs/dbraw/zinc/08/26/90/949082690.db2.gz AJBWNASODMPUNU-LDYMZIIASA-N -1 3 381.356 -0.492 20 0 GBADHM C[C@@H](NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1nnc2c(=O)[nH]ccn21 ZINC001575249005 949082668 /nfs/dbraw/zinc/08/26/68/949082668.db2.gz AJBWNASODMPUNU-LDYMZIIASA-N -1 3 381.356 -0.492 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575249222 949091889 /nfs/dbraw/zinc/09/18/89/949091889.db2.gz XUTNTWHNQLBSOF-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575249222 949091871 /nfs/dbraw/zinc/09/18/71/949091871.db2.gz XUTNTWHNQLBSOF-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575249223 949096190 /nfs/dbraw/zinc/09/61/90/949096190.db2.gz XUTNTWHNQLBSOF-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575249223 949096172 /nfs/dbraw/zinc/09/61/72/949096172.db2.gz XUTNTWHNQLBSOF-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575249244 949091835 /nfs/dbraw/zinc/09/18/35/949091835.db2.gz YEKMSGCKAVTBFO-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575249244 949091803 /nfs/dbraw/zinc/09/18/03/949091803.db2.gz YEKMSGCKAVTBFO-JTQLQIEISA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575249245 949092561 /nfs/dbraw/zinc/09/25/61/949092561.db2.gz YEKMSGCKAVTBFO-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575249245 949092541 /nfs/dbraw/zinc/09/25/41/949092541.db2.gz YEKMSGCKAVTBFO-SNVBAGLBSA-N -1 3 390.448 -0.066 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575249250 949096069 /nfs/dbraw/zinc/09/60/69/949096069.db2.gz YJCMQEFMDZYJQW-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575249250 949096049 /nfs/dbraw/zinc/09/60/49/949096049.db2.gz YJCMQEFMDZYJQW-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575249251 949093954 /nfs/dbraw/zinc/09/39/54/949093954.db2.gz YJCMQEFMDZYJQW-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575249251 949093933 /nfs/dbraw/zinc/09/39/33/949093933.db2.gz YJCMQEFMDZYJQW-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575249638 949101968 /nfs/dbraw/zinc/10/19/68/949101968.db2.gz ZOHJDZPABOCBLH-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575249638 949101958 /nfs/dbraw/zinc/10/19/58/949101958.db2.gz ZOHJDZPABOCBLH-SECBINFHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575249639 949102741 /nfs/dbraw/zinc/10/27/41/949102741.db2.gz ZOHJDZPABOCBLH-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)C(C)(C)C)C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575249639 949102733 /nfs/dbraw/zinc/10/27/33/949102733.db2.gz ZOHJDZPABOCBLH-VIFPVBQESA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575249677 949107491 /nfs/dbraw/zinc/10/74/91/949107491.db2.gz ZZBNLLOGVAJWBH-NXEZZACHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575249677 949107480 /nfs/dbraw/zinc/10/74/80/949107480.db2.gz ZZBNLLOGVAJWBH-NXEZZACHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575249679 949105422 /nfs/dbraw/zinc/10/54/22/949105422.db2.gz ZZBNLLOGVAJWBH-UWVGGRQHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575249679 949105412 /nfs/dbraw/zinc/10/54/12/949105412.db2.gz ZZBNLLOGVAJWBH-UWVGGRQHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575249682 949107283 /nfs/dbraw/zinc/10/72/83/949107283.db2.gz ZZBNLLOGVAJWBH-VHSXEESVSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575249682 949107267 /nfs/dbraw/zinc/10/72/67/949107267.db2.gz ZZBNLLOGVAJWBH-VHSXEESVSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575249684 949105820 /nfs/dbraw/zinc/10/58/20/949105820.db2.gz ZZBNLLOGVAJWBH-ZJUUUORDSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575249684 949105807 /nfs/dbraw/zinc/10/58/07/949105807.db2.gz ZZBNLLOGVAJWBH-ZJUUUORDSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575251417 949142361 /nfs/dbraw/zinc/14/23/61/949142361.db2.gz MXGYXVSIGAEBNT-NXEZZACHSA-N -1 3 386.416 -0.573 20 0 GBADHM C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575251417 949142351 /nfs/dbraw/zinc/14/23/51/949142351.db2.gz MXGYXVSIGAEBNT-NXEZZACHSA-N -1 3 386.416 -0.573 20 0 GBADHM C[C@H](NC(=O)C1(C(N)=O)CC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575251418 949141283 /nfs/dbraw/zinc/14/12/83/949141283.db2.gz MXGYXVSIGAEBNT-UWVGGRQHSA-N -1 3 386.416 -0.573 20 0 GBADHM C[C@H](NC(=O)C1(C(N)=O)CC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575251418 949141273 /nfs/dbraw/zinc/14/12/73/949141273.db2.gz MXGYXVSIGAEBNT-UWVGGRQHSA-N -1 3 386.416 -0.573 20 0 GBADHM C[C@H](NC(=O)C1(C(N)=O)CC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575251419 949140743 /nfs/dbraw/zinc/14/07/43/949140743.db2.gz MXGYXVSIGAEBNT-VHSXEESVSA-N -1 3 386.416 -0.573 20 0 GBADHM C[C@H](NC(=O)C1(C(N)=O)CC1)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575251419 949140729 /nfs/dbraw/zinc/14/07/29/949140729.db2.gz MXGYXVSIGAEBNT-VHSXEESVSA-N -1 3 386.416 -0.573 20 0 GBADHM C[C@@H](NC(=O)C1(C(N)=O)CC1)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575251420 949142726 /nfs/dbraw/zinc/14/27/26/949142726.db2.gz MXGYXVSIGAEBNT-ZJUUUORDSA-N -1 3 386.416 -0.573 20 0 GBADHM 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C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1)n1cncn1 ZINC001575251817 949149502 /nfs/dbraw/zinc/14/95/02/949149502.db2.gz ODDMIHWEXCZMCH-VHSXEESVSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1)n1cncn1 ZINC001575251817 949149485 /nfs/dbraw/zinc/14/94/85/949149485.db2.gz ODDMIHWEXCZMCH-VHSXEESVSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)n1cncn1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575251818 949148270 /nfs/dbraw/zinc/14/82/70/949148270.db2.gz ODDMIHWEXCZMCH-ZJUUUORDSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)n1cncn1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575251818 949148261 /nfs/dbraw/zinc/14/82/61/949148261.db2.gz ODDMIHWEXCZMCH-ZJUUUORDSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@@H](NC(=O)[C@]1(F)CCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575253614 949193042 /nfs/dbraw/zinc/19/30/42/949193042.db2.gz KZHPONVXTMRQSR-ABKXIKBNSA-N -1 3 377.380 -0.100 20 0 GBADHM C[C@@H](NC(=O)[C@]1(F)CCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575253614 949193027 /nfs/dbraw/zinc/19/30/27/949193027.db2.gz KZHPONVXTMRQSR-ABKXIKBNSA-N -1 3 377.380 -0.100 20 0 GBADHM C[C@H](NC(=O)[C@]1(F)CCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575253615 949192613 /nfs/dbraw/zinc/19/26/13/949192613.db2.gz KZHPONVXTMRQSR-FVMDXXJSSA-N -1 3 377.380 -0.100 20 0 GBADHM C[C@H](NC(=O)[C@]1(F)CCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575253615 949192601 /nfs/dbraw/zinc/19/26/01/949192601.db2.gz KZHPONVXTMRQSR-FVMDXXJSSA-N -1 3 377.380 -0.100 20 0 GBADHM C[C@@H](NC(=O)[C@@]1(F)CCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575253616 949194035 /nfs/dbraw/zinc/19/40/35/949194035.db2.gz KZHPONVXTMRQSR-JDNHERCYSA-N -1 3 377.380 -0.100 20 0 GBADHM C[C@@H](NC(=O)[C@@]1(F)CCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575253616 949194027 /nfs/dbraw/zinc/19/40/27/949194027.db2.gz KZHPONVXTMRQSR-JDNHERCYSA-N -1 3 377.380 -0.100 20 0 GBADHM C[C@H](NC(=O)[C@@]1(F)CCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575253617 949194393 /nfs/dbraw/zinc/19/43/93/949194393.db2.gz KZHPONVXTMRQSR-XXFAHNHDSA-N -1 3 377.380 -0.100 20 0 GBADHM C[C@H](NC(=O)[C@@]1(F)CCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575253617 949194383 /nfs/dbraw/zinc/19/43/83/949194383.db2.gz KZHPONVXTMRQSR-XXFAHNHDSA-N -1 3 377.380 -0.100 20 0 GBADHM C[C@@H](NC(=O)[C@@H](C)n1cncn1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575254745 949215065 /nfs/dbraw/zinc/21/50/65/949215065.db2.gz XHLRMRHDIWJPAG-NXEZZACHSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@@H](NC(=O)[C@@H](C)n1cncn1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575254745 949215043 /nfs/dbraw/zinc/21/50/43/949215043.db2.gz XHLRMRHDIWJPAG-NXEZZACHSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](NC(=O)[C@H](C)n1cncn1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575254746 949214883 /nfs/dbraw/zinc/21/48/83/949214883.db2.gz XHLRMRHDIWJPAG-UWVGGRQHSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](NC(=O)[C@H](C)n1cncn1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575254746 949214861 /nfs/dbraw/zinc/21/48/61/949214861.db2.gz XHLRMRHDIWJPAG-UWVGGRQHSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1)n1cncn1 ZINC001575254747 949217897 /nfs/dbraw/zinc/21/78/97/949217897.db2.gz XHLRMRHDIWJPAG-VHSXEESVSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@H](C(=O)N[C@@H](C)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1)n1cncn1 ZINC001575254747 949217878 /nfs/dbraw/zinc/21/78/78/949217878.db2.gz XHLRMRHDIWJPAG-VHSXEESVSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)n1cncn1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575254748 949216164 /nfs/dbraw/zinc/21/61/64/949216164.db2.gz XHLRMRHDIWJPAG-ZJUUUORDSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@@H](NC(=O)[C@H](C)n1cncn1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575254748 949216140 /nfs/dbraw/zinc/21/61/40/949216140.db2.gz XHLRMRHDIWJPAG-ZJUUUORDSA-N -1 3 384.404 -0.376 20 0 GBADHM C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575257863 949281123 /nfs/dbraw/zinc/28/11/23/949281123.db2.gz CJFIPGRPLSRQML-NXEZZACHSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575257863 949281100 /nfs/dbraw/zinc/28/11/00/949281100.db2.gz CJFIPGRPLSRQML-NXEZZACHSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](NC(=O)[C@H]1CCC(=O)NC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575257864 949282410 /nfs/dbraw/zinc/28/24/10/949282410.db2.gz CJFIPGRPLSRQML-UWVGGRQHSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](NC(=O)[C@H]1CCC(=O)NC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575257864 949282385 /nfs/dbraw/zinc/28/23/85/949282385.db2.gz CJFIPGRPLSRQML-UWVGGRQHSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575257866 949284179 /nfs/dbraw/zinc/28/41/79/949284179.db2.gz CJFIPGRPLSRQML-VHSXEESVSA-N -1 3 386.416 -0.702 20 0 GBADHM 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C[C@H](CNC(=O)[C@H](C)NC(=O)C1CCC1)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575258092 949287611 /nfs/dbraw/zinc/28/76/11/949287611.db2.gz DRTDKKPUMHSPCC-ZJUUUORDSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](NC(=O)C1CCC1)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575258305 949295519 /nfs/dbraw/zinc/29/55/19/949295519.db2.gz GSGYNBMTZJUKJQ-SECBINFHSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H](NC(=O)C1CCC1)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575258305 949295497 /nfs/dbraw/zinc/29/54/97/949295497.db2.gz GSGYNBMTZJUKJQ-SECBINFHSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H](NC(=O)C1CCC1)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575258307 949298280 /nfs/dbraw/zinc/29/82/80/949298280.db2.gz GSGYNBMTZJUKJQ-VIFPVBQESA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H](NC(=O)C1CCC1)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575258307 949298251 /nfs/dbraw/zinc/29/82/51/949298251.db2.gz GSGYNBMTZJUKJQ-VIFPVBQESA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H](NC(=O)C1CCC1)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575258438 949300692 /nfs/dbraw/zinc/30/06/92/949300692.db2.gz HPKDXLOXNUIVGL-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](NC(=O)C1CCC1)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575258438 949300667 /nfs/dbraw/zinc/30/06/67/949300667.db2.gz HPKDXLOXNUIVGL-JTQLQIEISA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](NC(=O)C1CCC1)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575258439 949301306 /nfs/dbraw/zinc/30/13/06/949301306.db2.gz HPKDXLOXNUIVGL-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@@H](NC(=O)C1CCC1)C(=O)N(C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575258439 949301281 /nfs/dbraw/zinc/30/12/81/949301281.db2.gz HPKDXLOXNUIVGL-SNVBAGLBSA-N -1 3 388.432 -0.312 20 0 GBADHM C[C@H](CNC(=O)[C@@H](C)NC(=O)C1CCC1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575259162 949321111 /nfs/dbraw/zinc/32/11/11/949321111.db2.gz MXLJQDGMCZNTJJ-NXEZZACHSA-N -1 3 388.432 -0.266 20 0 GBADHM 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C[C@@H](NC(=O)C1CS(=O)(=O)C1)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575264147 949415860 /nfs/dbraw/zinc/41/58/60/949415860.db2.gz LYXNWVRUKUSJIW-LLVKDONJSA-N -1 3 390.469 -0.152 20 0 GBADHM C[C@H](NC(=O)C1CS(=O)(=O)C1)C1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001575264149 949416033 /nfs/dbraw/zinc/41/60/33/949416033.db2.gz LYXNWVRUKUSJIW-NSHDSACASA-N -1 3 390.469 -0.152 20 0 GBADHM C[C@H](NC(=O)C1CS(=O)(=O)C1)C1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001575264149 949416021 /nfs/dbraw/zinc/41/60/21/949416021.db2.gz LYXNWVRUKUSJIW-NSHDSACASA-N -1 3 390.469 -0.152 20 0 GBADHM C[C@@H](NC(=O)[C@H]1COCCO1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575264555 949429869 /nfs/dbraw/zinc/42/98/69/949429869.db2.gz ORUKNGQZVOBEDR-NOZJJQNGSA-N -1 3 375.389 -0.813 20 0 GBADHM C[C@@H](NC(=O)[C@H]1COCCO1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575264555 949429854 /nfs/dbraw/zinc/42/98/54/949429854.db2.gz ORUKNGQZVOBEDR-NOZJJQNGSA-N -1 3 375.389 -0.813 20 0 GBADHM C[C@@H](NC(=O)[C@@H]1COCCO1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575264556 949428638 /nfs/dbraw/zinc/42/86/38/949428638.db2.gz ORUKNGQZVOBEDR-RNCFNFMXSA-N -1 3 375.389 -0.813 20 0 GBADHM C[C@@H](NC(=O)[C@@H]1COCCO1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575264556 949428626 /nfs/dbraw/zinc/42/86/26/949428626.db2.gz ORUKNGQZVOBEDR-RNCFNFMXSA-N -1 3 375.389 -0.813 20 0 GBADHM C[C@H](NC(=O)[C@H]1COCCO1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575264557 949430807 /nfs/dbraw/zinc/43/08/07/949430807.db2.gz ORUKNGQZVOBEDR-TVQRCGJNSA-N -1 3 375.389 -0.813 20 0 GBADHM C[C@H](NC(=O)[C@H]1COCCO1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575264557 949430798 /nfs/dbraw/zinc/43/07/98/949430798.db2.gz ORUKNGQZVOBEDR-TVQRCGJNSA-N -1 3 375.389 -0.813 20 0 GBADHM C[C@H](NC(=O)[C@@H]1COCCO1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575264558 949428172 /nfs/dbraw/zinc/42/81/72/949428172.db2.gz ORUKNGQZVOBEDR-ZANVPECISA-N -1 3 375.389 -0.813 20 0 GBADHM C[C@H](NC(=O)[C@@H]1COCCO1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575264558 949428165 /nfs/dbraw/zinc/42/81/65/949428165.db2.gz ORUKNGQZVOBEDR-ZANVPECISA-N -1 3 375.389 -0.813 20 0 GBADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575264773 949432238 /nfs/dbraw/zinc/43/22/38/949432238.db2.gz QDGKCEVCGHKBEB-GWCFXTLKSA-N -1 3 391.432 -0.299 20 0 GBADHM C[C@H](NC(=O)CC(C)(C)O)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575264773 949432223 /nfs/dbraw/zinc/43/22/23/949432223.db2.gz QDGKCEVCGHKBEB-GWCFXTLKSA-N -1 3 391.432 -0.299 20 0 GBADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575264774 949432785 /nfs/dbraw/zinc/43/27/85/949432785.db2.gz QDGKCEVCGHKBEB-GXFFZTMASA-N -1 3 391.432 -0.299 20 0 GBADHM C[C@H](NC(=O)CC(C)(C)O)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575264774 949432775 /nfs/dbraw/zinc/43/27/75/949432775.db2.gz QDGKCEVCGHKBEB-GXFFZTMASA-N -1 3 391.432 -0.299 20 0 GBADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575264775 949432345 /nfs/dbraw/zinc/43/23/45/949432345.db2.gz QDGKCEVCGHKBEB-MFKMUULPSA-N -1 3 391.432 -0.299 20 0 GBADHM C[C@@H](NC(=O)CC(C)(C)O)[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575264775 949432335 /nfs/dbraw/zinc/43/23/35/949432335.db2.gz QDGKCEVCGHKBEB-MFKMUULPSA-N -1 3 391.432 -0.299 20 0 GBADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCO1 ZINC001575264776 949434880 /nfs/dbraw/zinc/43/48/80/949434880.db2.gz QDGKCEVCGHKBEB-ZWNOBZJWSA-N -1 3 391.432 -0.299 20 0 GBADHM C[C@@H](NC(=O)CC(C)(C)O)[C@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCO1 ZINC001575264776 949434868 /nfs/dbraw/zinc/43/48/68/949434868.db2.gz QDGKCEVCGHKBEB-ZWNOBZJWSA-N -1 3 391.432 -0.299 20 0 GBADHM C[C@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265078 949441368 /nfs/dbraw/zinc/44/13/68/949441368.db2.gz SGAHBAWOFGSJTM-GZMMTYOYSA-N -1 3 377.430 -0.027 20 0 GBADHM C[C@@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265082 949444594 /nfs/dbraw/zinc/44/45/94/949444594.db2.gz SGAHBAWOFGSJTM-KCJUWKMLSA-N -1 3 377.430 -0.027 20 0 GBADHM C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265085 949444536 /nfs/dbraw/zinc/44/45/36/949444536.db2.gz SGAHBAWOFGSJTM-KWQFWETISA-N -1 3 377.430 -0.027 20 0 GBADHM C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265088 949442849 /nfs/dbraw/zinc/44/28/49/949442849.db2.gz SGAHBAWOFGSJTM-LDYMZIIASA-N -1 3 377.430 -0.027 20 0 GBADHM C[C@H](NC(=O)[C@H]1CNC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575265122 949443523 /nfs/dbraw/zinc/44/35/23/949443523.db2.gz SLRYGQVXPWGYHQ-LKFCYVNXSA-N -1 3 388.407 -0.376 20 0 GBADHM C[C@@H](NC(=O)[C@@H]1CNC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575265125 949444758 /nfs/dbraw/zinc/44/47/58/949444758.db2.gz SLRYGQVXPWGYHQ-OTYXRUKQSA-N -1 3 388.407 -0.376 20 0 GBADHM C[C@H](NC(=O)[C@@H]1CNC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575265219 949445048 /nfs/dbraw/zinc/44/50/48/949445048.db2.gz SLRYGQVXPWGYHQ-XPTSAGLGSA-N -1 3 388.407 -0.376 20 0 GBADHM C[C@@H](NC(=O)[C@H]1CNC(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001575265220 949443794 /nfs/dbraw/zinc/44/37/94/949443794.db2.gz SLRYGQVXPWGYHQ-YMTOWFKASA-N -1 3 388.407 -0.376 20 0 GBADHM C[C@@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265309 949448697 /nfs/dbraw/zinc/44/86/97/949448697.db2.gz UFLOQKYJCKULDS-BXKDBHETSA-N -1 3 390.473 -0.112 20 0 GBADHM C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265310 949447441 /nfs/dbraw/zinc/44/74/41/949447441.db2.gz UFLOQKYJCKULDS-CABZTGNLSA-N -1 3 390.473 -0.112 20 0 GBADHM C[C@H](NC(=O)[C@H]1CN(C)C(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265311 949449055 /nfs/dbraw/zinc/44/90/55/949449055.db2.gz UFLOQKYJCKULDS-JOYOIKCWSA-N -1 3 390.473 -0.112 20 0 GBADHM C[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575265312 949445966 /nfs/dbraw/zinc/44/59/66/949445966.db2.gz UFLOQKYJCKULDS-SKDRFNHKSA-N -1 3 390.473 -0.112 20 0 GBADHM C[C@@H](NC(=O)CC1OCCCO1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575265779 949457390 /nfs/dbraw/zinc/45/73/90/949457390.db2.gz AGMFYPATMFKUTK-NXEZZACHSA-N -1 3 377.405 -0.029 20 0 GBADHM C[C@@H](NC(=O)CC1OCCCO1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575265779 949457383 /nfs/dbraw/zinc/45/73/83/949457383.db2.gz AGMFYPATMFKUTK-NXEZZACHSA-N -1 3 377.405 -0.029 20 0 GBADHM C[C@H](NC(=O)CC1OCCCO1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575265781 949456599 /nfs/dbraw/zinc/45/65/99/949456599.db2.gz AGMFYPATMFKUTK-UWVGGRQHSA-N -1 3 377.405 -0.029 20 0 GBADHM C[C@H](NC(=O)CC1OCCCO1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575265781 949456581 /nfs/dbraw/zinc/45/65/81/949456581.db2.gz AGMFYPATMFKUTK-UWVGGRQHSA-N -1 3 377.405 -0.029 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CC1OCCCO1 ZINC001575265783 949455771 /nfs/dbraw/zinc/45/57/71/949455771.db2.gz AGMFYPATMFKUTK-VHSXEESVSA-N -1 3 377.405 -0.029 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CC1OCCCO1 ZINC001575265783 949455763 /nfs/dbraw/zinc/45/57/63/949455763.db2.gz AGMFYPATMFKUTK-VHSXEESVSA-N -1 3 377.405 -0.029 20 0 GBADHM C[C@@H](NC(=O)CC1OCCCO1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575265785 949456784 /nfs/dbraw/zinc/45/67/84/949456784.db2.gz AGMFYPATMFKUTK-ZJUUUORDSA-N -1 3 377.405 -0.029 20 0 GBADHM C[C@@H](NC(=O)CC1OCCCO1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575265785 949456766 /nfs/dbraw/zinc/45/67/66/949456766.db2.gz AGMFYPATMFKUTK-ZJUUUORDSA-N -1 3 377.405 -0.029 20 0 GBADHM C[C@H](NC(=O)[C@@H]1CN(C)CCO1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575265971 949461839 /nfs/dbraw/zinc/46/18/39/949461839.db2.gz WHZSPROXUJLXBW-HZMBPMFUSA-N -1 3 388.432 -0.898 20 0 GBADHM C[C@H](NC(=O)[C@H]1CN(C)CCO1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575265973 949462531 /nfs/dbraw/zinc/46/25/31/949462531.db2.gz WHZSPROXUJLXBW-IINYFYTJSA-N -1 3 388.432 -0.898 20 0 GBADHM C[C@@H](NC(=O)[C@H]1CN(C)CCO1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575265975 949462930 /nfs/dbraw/zinc/46/29/30/949462930.db2.gz WHZSPROXUJLXBW-QMTHXVAHSA-N -1 3 388.432 -0.898 20 0 GBADHM C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575265977 949461691 /nfs/dbraw/zinc/46/16/91/949461691.db2.gz WHZSPROXUJLXBW-YGRLFVJLSA-N -1 3 388.432 -0.898 20 0 GBADHM C[C@@H](NC(=O)C1CS(=O)(=O)C1)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575266057 949466119 /nfs/dbraw/zinc/46/61/19/949466119.db2.gz XAELAVBRMNAERV-LLVKDONJSA-N -1 3 390.469 -0.152 20 0 GBADHM C[C@@H](NC(=O)C1CS(=O)(=O)C1)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575266057 949466105 /nfs/dbraw/zinc/46/61/05/949466105.db2.gz XAELAVBRMNAERV-LLVKDONJSA-N -1 3 390.469 -0.152 20 0 GBADHM C[C@H](NC(=O)C1CS(=O)(=O)C1)C1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001575266059 949469488 /nfs/dbraw/zinc/46/94/88/949469488.db2.gz XAELAVBRMNAERV-NSHDSACASA-N -1 3 390.469 -0.152 20 0 GBADHM C[C@H](NC(=O)C1CS(=O)(=O)C1)C1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001575266059 949469473 /nfs/dbraw/zinc/46/94/73/949469473.db2.gz XAELAVBRMNAERV-NSHDSACASA-N -1 3 390.469 -0.152 20 0 GBADHM C[C@H](NC(=O)C[C@H]1CCC(=O)N1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575266459 949475686 /nfs/dbraw/zinc/47/56/86/949475686.db2.gz DDJIZJFBHDXQSX-GXSJLCMTSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H](NC(=O)C[C@H]1CCC(=O)N1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575266459 949475668 /nfs/dbraw/zinc/47/56/68/949475668.db2.gz DDJIZJFBHDXQSX-GXSJLCMTSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575266462 949475860 /nfs/dbraw/zinc/47/58/60/949475860.db2.gz DDJIZJFBHDXQSX-KOLCDFICSA-N -1 3 386.416 -0.560 20 0 GBADHM 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C[C@H](NC(=O)CC1OCCCO1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575266679 949487177 /nfs/dbraw/zinc/48/71/77/949487177.db2.gz DLTGCBFPWSZEAG-JTQLQIEISA-N -1 3 389.416 -0.075 20 0 GBADHM C[C@H](NC(=O)CC1OCCCO1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575266679 949487164 /nfs/dbraw/zinc/48/71/64/949487164.db2.gz DLTGCBFPWSZEAG-JTQLQIEISA-N -1 3 389.416 -0.075 20 0 GBADHM C[C@@H](NC(=O)CC1OCCCO1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575266683 949484173 /nfs/dbraw/zinc/48/41/73/949484173.db2.gz DLTGCBFPWSZEAG-SNVBAGLBSA-N -1 3 389.416 -0.075 20 0 GBADHM C[C@@H](NC(=O)CC1OCCCO1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575266683 949484151 /nfs/dbraw/zinc/48/41/51/949484151.db2.gz DLTGCBFPWSZEAG-SNVBAGLBSA-N -1 3 389.416 -0.075 20 0 GBADHM C[C@@H](NC(=O)C[C@H]1CCNC1=O)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575266847 949490166 /nfs/dbraw/zinc/49/01/66/949490166.db2.gz FMEATYUWKPAUKF-NXEZZACHSA-N -1 3 386.416 -0.702 20 0 GBADHM 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/nfs/dbraw/zinc/59/18/34/949591834.db2.gz ZXHQPKPICDTCLI-ZJUUUORDSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270878 949605207 /nfs/dbraw/zinc/60/52/07/949605207.db2.gz GPMAGFOJYYTBDZ-NEPJUHHUSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575270879 949606318 /nfs/dbraw/zinc/60/63/18/949606318.db2.gz GPMAGFOJYYTBDZ-NWDGAFQWSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270880 949603667 /nfs/dbraw/zinc/60/36/67/949603667.db2.gz GPMAGFOJYYTBDZ-RYUDHWBXSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575270881 949604713 /nfs/dbraw/zinc/60/47/13/949604713.db2.gz GPMAGFOJYYTBDZ-VXGBXAGGSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575270890 949607393 /nfs/dbraw/zinc/60/73/93/949607393.db2.gz GTABQPCOZMAPOK-NEPJUHHUSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575270890 949607385 /nfs/dbraw/zinc/60/73/85/949607385.db2.gz GTABQPCOZMAPOK-NEPJUHHUSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270891 949604281 /nfs/dbraw/zinc/60/42/81/949604281.db2.gz GTABQPCOZMAPOK-NWDGAFQWSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270891 949604263 /nfs/dbraw/zinc/60/42/63/949604263.db2.gz GTABQPCOZMAPOK-NWDGAFQWSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270892 949604377 /nfs/dbraw/zinc/60/43/77/949604377.db2.gz GTABQPCOZMAPOK-RYUDHWBXSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270892 949604362 /nfs/dbraw/zinc/60/43/62/949604362.db2.gz GTABQPCOZMAPOK-RYUDHWBXSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575270893 949605850 /nfs/dbraw/zinc/60/58/50/949605850.db2.gz GTABQPCOZMAPOK-VXGBXAGGSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575270893 949605829 /nfs/dbraw/zinc/60/58/29/949605829.db2.gz GTABQPCOZMAPOK-VXGBXAGGSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575270918 949606275 /nfs/dbraw/zinc/60/62/75/949606275.db2.gz HERNUKZLVZJQRW-GHMZBOCLSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575270918 949606261 /nfs/dbraw/zinc/60/62/61/949606261.db2.gz HERNUKZLVZJQRW-GHMZBOCLSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575270919 949606932 /nfs/dbraw/zinc/60/69/32/949606932.db2.gz HERNUKZLVZJQRW-MNOVXSKESA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575270919 949606917 /nfs/dbraw/zinc/60/69/17/949606917.db2.gz HERNUKZLVZJQRW-MNOVXSKESA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575270920 949604863 /nfs/dbraw/zinc/60/48/63/949604863.db2.gz HERNUKZLVZJQRW-QWRGUYRKSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575270920 949604849 /nfs/dbraw/zinc/60/48/49/949604849.db2.gz HERNUKZLVZJQRW-QWRGUYRKSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575270921 949606888 /nfs/dbraw/zinc/60/68/88/949606888.db2.gz HERNUKZLVZJQRW-WDEREUQCSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575270921 949606873 /nfs/dbraw/zinc/60/68/73/949606873.db2.gz HERNUKZLVZJQRW-WDEREUQCSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@@H](NC(=O)CCCn1ccnn1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575270942 949611534 /nfs/dbraw/zinc/61/15/34/949611534.db2.gz HPUNSFNJOFLQKK-GHMZBOCLSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCn1ccnn1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575270942 949611523 /nfs/dbraw/zinc/61/15/23/949611523.db2.gz HPUNSFNJOFLQKK-GHMZBOCLSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCn1ccnn1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575270943 949608546 /nfs/dbraw/zinc/60/85/46/949608546.db2.gz HPUNSFNJOFLQKK-MNOVXSKESA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCn1ccnn1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575270943 949608529 /nfs/dbraw/zinc/60/85/29/949608529.db2.gz HPUNSFNJOFLQKK-MNOVXSKESA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@H](NC(=O)CCCn1ccnn1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575270944 949609871 /nfs/dbraw/zinc/60/98/71/949609871.db2.gz HPUNSFNJOFLQKK-QWRGUYRKSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@H](NC(=O)CCCn1ccnn1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575270944 949609850 /nfs/dbraw/zinc/60/98/50/949609850.db2.gz HPUNSFNJOFLQKK-QWRGUYRKSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCCn1ccnn1 ZINC001575270945 949609229 /nfs/dbraw/zinc/60/92/29/949609229.db2.gz HPUNSFNJOFLQKK-WDEREUQCSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCCn1ccnn1 ZINC001575270945 949609216 /nfs/dbraw/zinc/60/92/16/949609216.db2.gz HPUNSFNJOFLQKK-WDEREUQCSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575271442 949620955 /nfs/dbraw/zinc/62/09/55/949620955.db2.gz KKHDSKBCIGQVSN-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575271442 949620942 /nfs/dbraw/zinc/62/09/42/949620942.db2.gz KKHDSKBCIGQVSN-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575271444 949620486 /nfs/dbraw/zinc/62/04/86/949620486.db2.gz KKHDSKBCIGQVSN-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575271444 949620475 /nfs/dbraw/zinc/62/04/75/949620475.db2.gz KKHDSKBCIGQVSN-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](NC(=O)CCN1CCCC1=O)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575271446 949619329 /nfs/dbraw/zinc/61/93/29/949619329.db2.gz KKHDSKBCIGQVSN-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](NC(=O)CCN1CCCC1=O)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575271446 949619316 /nfs/dbraw/zinc/61/93/16/949619316.db2.gz KKHDSKBCIGQVSN-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCN1CCCC1=O ZINC001575271448 949619648 /nfs/dbraw/zinc/61/96/48/949619648.db2.gz KKHDSKBCIGQVSN-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCN1CCCC1=O ZINC001575271448 949619637 /nfs/dbraw/zinc/61/96/37/949619637.db2.gz KKHDSKBCIGQVSN-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575271608 949625234 /nfs/dbraw/zinc/62/52/34/949625234.db2.gz LGXNAPKQMQQBBJ-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575271608 949625221 /nfs/dbraw/zinc/62/52/21/949625221.db2.gz LGXNAPKQMQQBBJ-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575271609 949624371 /nfs/dbraw/zinc/62/43/71/949624371.db2.gz LGXNAPKQMQQBBJ-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575271609 949624359 /nfs/dbraw/zinc/62/43/59/949624359.db2.gz LGXNAPKQMQQBBJ-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](NC(=O)CCN1CCCC1=O)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575271610 949623820 /nfs/dbraw/zinc/62/38/20/949623820.db2.gz LGXNAPKQMQQBBJ-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](NC(=O)CCN1CCCC1=O)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575271610 949623808 /nfs/dbraw/zinc/62/38/08/949623808.db2.gz LGXNAPKQMQQBBJ-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCN1CCCC1=O ZINC001575271611 949623577 /nfs/dbraw/zinc/62/35/77/949623577.db2.gz LGXNAPKQMQQBBJ-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCN1CCCC1=O ZINC001575271611 949623567 /nfs/dbraw/zinc/62/35/67/949623567.db2.gz LGXNAPKQMQQBBJ-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575271616 949623967 /nfs/dbraw/zinc/62/39/67/949623967.db2.gz LGZIHGDCVOUUJQ-NEPJUHHUSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575271617 949625661 /nfs/dbraw/zinc/62/56/61/949625661.db2.gz LGZIHGDCVOUUJQ-NWDGAFQWSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575271618 949624148 /nfs/dbraw/zinc/62/41/48/949624148.db2.gz LGZIHGDCVOUUJQ-RYUDHWBXSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575271619 949623635 /nfs/dbraw/zinc/62/36/35/949623635.db2.gz LGZIHGDCVOUUJQ-VXGBXAGGSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575271861 949633335 /nfs/dbraw/zinc/63/33/35/949633335.db2.gz MYTYOEVKCBIZPY-NEPJUHHUSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575271861 949633325 /nfs/dbraw/zinc/63/33/25/949633325.db2.gz MYTYOEVKCBIZPY-NEPJUHHUSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575271863 949632551 /nfs/dbraw/zinc/63/25/51/949632551.db2.gz MYTYOEVKCBIZPY-NWDGAFQWSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575271863 949632538 /nfs/dbraw/zinc/63/25/38/949632538.db2.gz MYTYOEVKCBIZPY-NWDGAFQWSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575271865 949632472 /nfs/dbraw/zinc/63/24/72/949632472.db2.gz MYTYOEVKCBIZPY-RYUDHWBXSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575271865 949632463 /nfs/dbraw/zinc/63/24/63/949632463.db2.gz MYTYOEVKCBIZPY-RYUDHWBXSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575271867 949631462 /nfs/dbraw/zinc/63/14/62/949631462.db2.gz MYTYOEVKCBIZPY-VXGBXAGGSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575271867 949631444 /nfs/dbraw/zinc/63/14/44/949631444.db2.gz MYTYOEVKCBIZPY-VXGBXAGGSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCCn1cncn1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575272080 949632072 /nfs/dbraw/zinc/63/20/72/949632072.db2.gz NHCJZOYWVPXQPB-GHMZBOCLSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCn1cncn1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575272080 949632061 /nfs/dbraw/zinc/63/20/61/949632061.db2.gz NHCJZOYWVPXQPB-GHMZBOCLSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCn1cncn1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575272081 949631932 /nfs/dbraw/zinc/63/19/32/949631932.db2.gz NHCJZOYWVPXQPB-MNOVXSKESA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCn1cncn1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575272081 949631917 /nfs/dbraw/zinc/63/19/17/949631917.db2.gz NHCJZOYWVPXQPB-MNOVXSKESA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@H](NC(=O)CCCn1cncn1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575272082 949633378 /nfs/dbraw/zinc/63/33/78/949633378.db2.gz NHCJZOYWVPXQPB-QWRGUYRKSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@H](NC(=O)CCCn1cncn1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575272082 949633368 /nfs/dbraw/zinc/63/33/68/949633368.db2.gz NHCJZOYWVPXQPB-QWRGUYRKSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCCn1cncn1 ZINC001575272083 949633425 /nfs/dbraw/zinc/63/34/25/949633425.db2.gz NHCJZOYWVPXQPB-WDEREUQCSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCCn1cncn1 ZINC001575272083 949633416 /nfs/dbraw/zinc/63/34/16/949633416.db2.gz NHCJZOYWVPXQPB-WDEREUQCSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575272154 949638835 /nfs/dbraw/zinc/63/88/35/949638835.db2.gz OBFXIQGAAPNDDS-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575272154 949638821 /nfs/dbraw/zinc/63/88/21/949638821.db2.gz OBFXIQGAAPNDDS-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575272155 949635927 /nfs/dbraw/zinc/63/59/27/949635927.db2.gz OBFXIQGAAPNDDS-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CCN1CCCC1=O)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575272155 949635910 /nfs/dbraw/zinc/63/59/10/949635910.db2.gz OBFXIQGAAPNDDS-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](NC(=O)CCN1CCCC1=O)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575272256 949636819 /nfs/dbraw/zinc/63/68/19/949636819.db2.gz OBFXIQGAAPNDDS-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](NC(=O)CCN1CCCC1=O)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575272256 949636809 /nfs/dbraw/zinc/63/68/09/949636809.db2.gz OBFXIQGAAPNDDS-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCN1CCCC1=O ZINC001575272257 949636768 /nfs/dbraw/zinc/63/67/68/949636768.db2.gz OBFXIQGAAPNDDS-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCN1CCCC1=O ZINC001575272257 949636756 /nfs/dbraw/zinc/63/67/56/949636756.db2.gz OBFXIQGAAPNDDS-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CCCn1cncn1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575272477 949646315 /nfs/dbraw/zinc/64/63/15/949646315.db2.gz REHPPYJUIZIEPI-GHMZBOCLSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCn1cncn1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575272477 949646299 /nfs/dbraw/zinc/64/62/99/949646299.db2.gz REHPPYJUIZIEPI-GHMZBOCLSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCn1cncn1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575272478 949645668 /nfs/dbraw/zinc/64/56/68/949645668.db2.gz REHPPYJUIZIEPI-MNOVXSKESA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCn1cncn1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575272478 949645656 /nfs/dbraw/zinc/64/56/56/949645656.db2.gz REHPPYJUIZIEPI-MNOVXSKESA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@H](NC(=O)CCCn1cncn1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575272480 949647903 /nfs/dbraw/zinc/64/79/03/949647903.db2.gz REHPPYJUIZIEPI-QWRGUYRKSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@H](NC(=O)CCCn1cncn1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575272480 949647891 /nfs/dbraw/zinc/64/78/91/949647891.db2.gz REHPPYJUIZIEPI-QWRGUYRKSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCCn1cncn1 ZINC001575272482 949646942 /nfs/dbraw/zinc/64/69/42/949646942.db2.gz REHPPYJUIZIEPI-WDEREUQCSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCCn1cncn1 ZINC001575272482 949646924 /nfs/dbraw/zinc/64/69/24/949646924.db2.gz REHPPYJUIZIEPI-WDEREUQCSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575272738 949650013 /nfs/dbraw/zinc/65/00/13/949650013.db2.gz SIUPVPPXGLOKTK-NEPJUHHUSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575272738 949650005 /nfs/dbraw/zinc/65/00/05/949650005.db2.gz SIUPVPPXGLOKTK-NEPJUHHUSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575272739 949650366 /nfs/dbraw/zinc/65/03/66/949650366.db2.gz SIUPVPPXGLOKTK-NWDGAFQWSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575272739 949650356 /nfs/dbraw/zinc/65/03/56/949650356.db2.gz SIUPVPPXGLOKTK-NWDGAFQWSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575272740 949649506 /nfs/dbraw/zinc/64/95/06/949649506.db2.gz SIUPVPPXGLOKTK-RYUDHWBXSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575272740 949649494 /nfs/dbraw/zinc/64/94/94/949649494.db2.gz SIUPVPPXGLOKTK-RYUDHWBXSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575272741 949651775 /nfs/dbraw/zinc/65/17/75/949651775.db2.gz SIUPVPPXGLOKTK-VXGBXAGGSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575272741 949651752 /nfs/dbraw/zinc/65/17/52/949651752.db2.gz SIUPVPPXGLOKTK-VXGBXAGGSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575272746 949653768 /nfs/dbraw/zinc/65/37/68/949653768.db2.gz SLOYQMWEPOYTRV-NXEZZACHSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575272746 949653759 /nfs/dbraw/zinc/65/37/59/949653759.db2.gz SLOYQMWEPOYTRV-NXEZZACHSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575272747 949656296 /nfs/dbraw/zinc/65/62/96/949656296.db2.gz SLOYQMWEPOYTRV-UWVGGRQHSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575272747 949656277 /nfs/dbraw/zinc/65/62/77/949656277.db2.gz SLOYQMWEPOYTRV-UWVGGRQHSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001575272748 949654235 /nfs/dbraw/zinc/65/42/35/949654235.db2.gz SLOYQMWEPOYTRV-VHSXEESVSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001575272748 949654226 /nfs/dbraw/zinc/65/42/26/949654226.db2.gz SLOYQMWEPOYTRV-VHSXEESVSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575272750 949654942 /nfs/dbraw/zinc/65/49/42/949654942.db2.gz SLOYQMWEPOYTRV-ZJUUUORDSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575272750 949654925 /nfs/dbraw/zinc/65/49/25/949654925.db2.gz SLOYQMWEPOYTRV-ZJUUUORDSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575273012 949654700 /nfs/dbraw/zinc/65/47/00/949654700.db2.gz UOGLAIIDHMRZDL-NEPJUHHUSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575273012 949654676 /nfs/dbraw/zinc/65/46/76/949654676.db2.gz UOGLAIIDHMRZDL-NEPJUHHUSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575273013 949654175 /nfs/dbraw/zinc/65/41/75/949654175.db2.gz UOGLAIIDHMRZDL-NWDGAFQWSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575273013 949654166 /nfs/dbraw/zinc/65/41/66/949654166.db2.gz UOGLAIIDHMRZDL-NWDGAFQWSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575273014 949654498 /nfs/dbraw/zinc/65/44/98/949654498.db2.gz UOGLAIIDHMRZDL-RYUDHWBXSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575273014 949654486 /nfs/dbraw/zinc/65/44/86/949654486.db2.gz UOGLAIIDHMRZDL-RYUDHWBXSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575273015 949656754 /nfs/dbraw/zinc/65/67/54/949656754.db2.gz UOGLAIIDHMRZDL-VXGBXAGGSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575273015 949656734 /nfs/dbraw/zinc/65/67/34/949656734.db2.gz UOGLAIIDHMRZDL-VXGBXAGGSA-N -1 3 375.437 -0.316 20 0 GBADHM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575273268 949660446 /nfs/dbraw/zinc/66/04/46/949660446.db2.gz VFWTWVKKCWNBAK-GHMZBOCLSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575273268 949660435 /nfs/dbraw/zinc/66/04/35/949660435.db2.gz VFWTWVKKCWNBAK-GHMZBOCLSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575273269 949659102 /nfs/dbraw/zinc/65/91/02/949659102.db2.gz VFWTWVKKCWNBAK-MNOVXSKESA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575273269 949659084 /nfs/dbraw/zinc/65/90/84/949659084.db2.gz VFWTWVKKCWNBAK-MNOVXSKESA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575273270 949660268 /nfs/dbraw/zinc/66/02/68/949660268.db2.gz VFWTWVKKCWNBAK-QWRGUYRKSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575273270 949660260 /nfs/dbraw/zinc/66/02/60/949660260.db2.gz VFWTWVKKCWNBAK-QWRGUYRKSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575273271 949660589 /nfs/dbraw/zinc/66/05/89/949660589.db2.gz VFWTWVKKCWNBAK-WDEREUQCSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575273271 949660578 /nfs/dbraw/zinc/66/05/78/949660578.db2.gz VFWTWVKKCWNBAK-WDEREUQCSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575273280 949661032 /nfs/dbraw/zinc/66/10/32/949661032.db2.gz VJWGCOWAJRFHEY-NEPJUHHUSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575273280 949661015 /nfs/dbraw/zinc/66/10/15/949661015.db2.gz VJWGCOWAJRFHEY-NEPJUHHUSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575273281 949659470 /nfs/dbraw/zinc/65/94/70/949659470.db2.gz VJWGCOWAJRFHEY-NWDGAFQWSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCN1CCOCC1 ZINC001575273281 949659455 /nfs/dbraw/zinc/65/94/55/949659455.db2.gz VJWGCOWAJRFHEY-NWDGAFQWSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575273282 949661140 /nfs/dbraw/zinc/66/11/40/949661140.db2.gz VJWGCOWAJRFHEY-RYUDHWBXSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@H](NC(=O)CCN1CCOCC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575273282 949661129 /nfs/dbraw/zinc/66/11/29/949661129.db2.gz VJWGCOWAJRFHEY-RYUDHWBXSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575273283 949658747 /nfs/dbraw/zinc/65/87/47/949658747.db2.gz VJWGCOWAJRFHEY-VXGBXAGGSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](NC(=O)CCN1CCOCC1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575273283 949658737 /nfs/dbraw/zinc/65/87/37/949658737.db2.gz VJWGCOWAJRFHEY-VXGBXAGGSA-N -1 3 390.448 -0.460 20 0 GBADHM C[C@@H](NC(=O)CCCn1ccnn1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575273352 949665203 /nfs/dbraw/zinc/66/52/03/949665203.db2.gz WHJBSKFTBJFPDB-GHMZBOCLSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCn1ccnn1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575273352 949665184 /nfs/dbraw/zinc/66/51/84/949665184.db2.gz WHJBSKFTBJFPDB-GHMZBOCLSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCn1ccnn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575273353 949665789 /nfs/dbraw/zinc/66/57/89/949665789.db2.gz WHJBSKFTBJFPDB-MNOVXSKESA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCn1ccnn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575273353 949665773 /nfs/dbraw/zinc/66/57/73/949665773.db2.gz WHJBSKFTBJFPDB-MNOVXSKESA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@H](NC(=O)CCCn1ccnn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575273354 949663154 /nfs/dbraw/zinc/66/31/54/949663154.db2.gz WHJBSKFTBJFPDB-QWRGUYRKSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@H](NC(=O)CCCn1ccnn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575273354 949663149 /nfs/dbraw/zinc/66/31/49/949663149.db2.gz WHJBSKFTBJFPDB-QWRGUYRKSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCCn1ccnn1 ZINC001575273355 949663625 /nfs/dbraw/zinc/66/36/25/949663625.db2.gz WHJBSKFTBJFPDB-WDEREUQCSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCCn1ccnn1 ZINC001575273355 949663608 /nfs/dbraw/zinc/66/36/08/949663608.db2.gz WHJBSKFTBJFPDB-WDEREUQCSA-N -1 3 386.420 -0.110 20 0 GBADHM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575273791 949673578 /nfs/dbraw/zinc/67/35/78/949673578.db2.gz YCOPXSFNVZXSEU-NXEZZACHSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575273791 949673564 /nfs/dbraw/zinc/67/35/64/949673564.db2.gz YCOPXSFNVZXSEU-NXEZZACHSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575273792 949673100 /nfs/dbraw/zinc/67/31/00/949673100.db2.gz YCOPXSFNVZXSEU-UWVGGRQHSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575273792 949673087 /nfs/dbraw/zinc/67/30/87/949673087.db2.gz YCOPXSFNVZXSEU-UWVGGRQHSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575273793 949674992 /nfs/dbraw/zinc/67/49/92/949674992.db2.gz YCOPXSFNVZXSEU-VHSXEESVSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575273793 949674980 /nfs/dbraw/zinc/67/49/80/949674980.db2.gz YCOPXSFNVZXSEU-VHSXEESVSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001575273794 949675204 /nfs/dbraw/zinc/67/52/04/949675204.db2.gz YCOPXSFNVZXSEU-ZJUUUORDSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001575273794 949675194 /nfs/dbraw/zinc/67/51/94/949675194.db2.gz YCOPXSFNVZXSEU-ZJUUUORDSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575274124 949676625 /nfs/dbraw/zinc/67/66/25/949676625.db2.gz YVZHKTHSVSFCSQ-NXEZZACHSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575274124 949676616 /nfs/dbraw/zinc/67/66/16/949676616.db2.gz YVZHKTHSVSFCSQ-NXEZZACHSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575274125 949679648 /nfs/dbraw/zinc/67/96/48/949679648.db2.gz YVZHKTHSVSFCSQ-UWVGGRQHSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575274125 949679634 /nfs/dbraw/zinc/67/96/34/949679634.db2.gz YVZHKTHSVSFCSQ-UWVGGRQHSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575274126 949678767 /nfs/dbraw/zinc/67/87/67/949678767.db2.gz YVZHKTHSVSFCSQ-VHSXEESVSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575274126 949678748 /nfs/dbraw/zinc/67/87/48/949678748.db2.gz YVZHKTHSVSFCSQ-VHSXEESVSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001575274127 949678841 /nfs/dbraw/zinc/67/88/41/949678841.db2.gz YVZHKTHSVSFCSQ-ZJUUUORDSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CCCS(N)(=O)=O ZINC001575274127 949678814 /nfs/dbraw/zinc/67/88/14/949678814.db2.gz YVZHKTHSVSFCSQ-ZJUUUORDSA-N -1 3 382.450 -0.365 20 0 GBADHM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575274186 949683327 /nfs/dbraw/zinc/68/33/27/949683327.db2.gz ZPVZADJHXBIDDJ-GHMZBOCLSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575274186 949683312 /nfs/dbraw/zinc/68/33/12/949683312.db2.gz ZPVZADJHXBIDDJ-GHMZBOCLSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575274187 949682634 /nfs/dbraw/zinc/68/26/34/949682634.db2.gz ZPVZADJHXBIDDJ-MNOVXSKESA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575274187 949682624 /nfs/dbraw/zinc/68/26/24/949682624.db2.gz ZPVZADJHXBIDDJ-MNOVXSKESA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575274188 949681943 /nfs/dbraw/zinc/68/19/43/949681943.db2.gz ZPVZADJHXBIDDJ-QWRGUYRKSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575274188 949681925 /nfs/dbraw/zinc/68/19/25/949681925.db2.gz ZPVZADJHXBIDDJ-QWRGUYRKSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575274189 949684593 /nfs/dbraw/zinc/68/45/93/949684593.db2.gz ZPVZADJHXBIDDJ-WDEREUQCSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575274189 949684572 /nfs/dbraw/zinc/68/45/72/949684572.db2.gz ZPVZADJHXBIDDJ-WDEREUQCSA-N -1 3 388.432 -0.183 20 0 GBADHM C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575274280 949683270 /nfs/dbraw/zinc/68/32/70/949683270.db2.gz ZWMMQJWWCADCNU-NXEZZACHSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575274280 949683258 /nfs/dbraw/zinc/68/32/58/949683258.db2.gz ZWMMQJWWCADCNU-NXEZZACHSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575274281 949681553 /nfs/dbraw/zinc/68/15/53/949681553.db2.gz ZWMMQJWWCADCNU-UWVGGRQHSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575274281 949681542 /nfs/dbraw/zinc/68/15/42/949681542.db2.gz ZWMMQJWWCADCNU-UWVGGRQHSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575274282 949682025 /nfs/dbraw/zinc/68/20/25/949682025.db2.gz ZWMMQJWWCADCNU-VHSXEESVSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575274282 949682013 /nfs/dbraw/zinc/68/20/13/949682013.db2.gz ZWMMQJWWCADCNU-VHSXEESVSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001575274283 949684782 /nfs/dbraw/zinc/68/47/82/949684782.db2.gz ZWMMQJWWCADCNU-ZJUUUORDSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CCNS(C)(=O)=O ZINC001575274283 949684770 /nfs/dbraw/zinc/68/47/70/949684770.db2.gz ZWMMQJWWCADCNU-ZJUUUORDSA-N -1 3 382.450 -0.494 20 0 GBADHM C[C@@H](NC(=O)CCc1cn(C)nn1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276363 949722688 /nfs/dbraw/zinc/72/26/88/949722688.db2.gz JDFYPYDSCOVLFW-NXEZZACHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cn(C)nn1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276363 949722672 /nfs/dbraw/zinc/72/26/72/949722672.db2.gz JDFYPYDSCOVLFW-NXEZZACHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@H](NC(=O)CCc1cn(C)nn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276365 949720982 /nfs/dbraw/zinc/72/09/82/949720982.db2.gz JDFYPYDSCOVLFW-UWVGGRQHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@H](NC(=O)CCc1cn(C)nn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276365 949720959 /nfs/dbraw/zinc/72/09/59/949720959.db2.gz JDFYPYDSCOVLFW-UWVGGRQHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001575276367 949722122 /nfs/dbraw/zinc/72/21/22/949722122.db2.gz JDFYPYDSCOVLFW-VHSXEESVSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001575276367 949722107 /nfs/dbraw/zinc/72/21/07/949722107.db2.gz JDFYPYDSCOVLFW-VHSXEESVSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cn(C)nn1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575276369 949720847 /nfs/dbraw/zinc/72/08/47/949720847.db2.gz JDFYPYDSCOVLFW-ZJUUUORDSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cn(C)nn1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575276369 949720836 /nfs/dbraw/zinc/72/08/36/949720836.db2.gz JDFYPYDSCOVLFW-ZJUUUORDSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575276552 949726958 /nfs/dbraw/zinc/72/69/58/949726958.db2.gz KFSJHMCMRGCQAW-BDAKNGLRSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575276552 949726947 /nfs/dbraw/zinc/72/69/47/949726947.db2.gz KFSJHMCMRGCQAW-BDAKNGLRSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001575276556 949726531 /nfs/dbraw/zinc/72/65/31/949726531.db2.gz KFSJHMCMRGCQAW-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001575276556 949726528 /nfs/dbraw/zinc/72/65/28/949726528.db2.gz KFSJHMCMRGCQAW-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575276558 949725087 /nfs/dbraw/zinc/72/50/87/949725087.db2.gz KFSJHMCMRGCQAW-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575276558 949725073 /nfs/dbraw/zinc/72/50/73/949725073.db2.gz KFSJHMCMRGCQAW-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575276559 949726818 /nfs/dbraw/zinc/72/68/18/949726818.db2.gz KFSJHMCMRGCQAW-RKDXNWHRSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575276559 949726809 /nfs/dbraw/zinc/72/68/09/949726809.db2.gz KFSJHMCMRGCQAW-RKDXNWHRSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575276886 949737134 /nfs/dbraw/zinc/73/71/34/949737134.db2.gz MNFCDYZZGPOMAT-BDAKNGLRSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575276886 949737123 /nfs/dbraw/zinc/73/71/23/949737123.db2.gz MNFCDYZZGPOMAT-BDAKNGLRSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001575276887 949736452 /nfs/dbraw/zinc/73/64/52/949736452.db2.gz MNFCDYZZGPOMAT-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001575276887 949736435 /nfs/dbraw/zinc/73/64/35/949736435.db2.gz MNFCDYZZGPOMAT-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575276888 949735854 /nfs/dbraw/zinc/73/58/54/949735854.db2.gz MNFCDYZZGPOMAT-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575276888 949735838 /nfs/dbraw/zinc/73/58/38/949735838.db2.gz MNFCDYZZGPOMAT-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575276889 949735441 /nfs/dbraw/zinc/73/54/41/949735441.db2.gz MNFCDYZZGPOMAT-RKDXNWHRSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575276889 949735425 /nfs/dbraw/zinc/73/54/25/949735425.db2.gz MNFCDYZZGPOMAT-RKDXNWHRSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)CCc1cnn(C)n1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575277267 949747396 /nfs/dbraw/zinc/74/73/96/949747396.db2.gz PMSVKKGHSSFWGL-NXEZZACHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cnn(C)n1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575277267 949747383 /nfs/dbraw/zinc/74/73/83/949747383.db2.gz PMSVKKGHSSFWGL-NXEZZACHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575277268 949744106 /nfs/dbraw/zinc/74/41/06/949744106.db2.gz PMSVKKGHSSFWGL-UWVGGRQHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575277268 949744091 /nfs/dbraw/zinc/74/40/91/949744091.db2.gz PMSVKKGHSSFWGL-UWVGGRQHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001575277270 949745646 /nfs/dbraw/zinc/74/56/46/949745646.db2.gz PMSVKKGHSSFWGL-VHSXEESVSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001575277270 949745625 /nfs/dbraw/zinc/74/56/25/949745625.db2.gz PMSVKKGHSSFWGL-VHSXEESVSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575277272 949745429 /nfs/dbraw/zinc/74/54/29/949745429.db2.gz PMSVKKGHSSFWGL-ZJUUUORDSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575277272 949745416 /nfs/dbraw/zinc/74/54/16/949745416.db2.gz PMSVKKGHSSFWGL-ZJUUUORDSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277345 949750837 /nfs/dbraw/zinc/75/08/37/949750837.db2.gz QBJQZOPPVMAHFD-BDAKNGLRSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277345 949750823 /nfs/dbraw/zinc/75/08/23/949750823.db2.gz QBJQZOPPVMAHFD-BDAKNGLRSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001575277346 949749065 /nfs/dbraw/zinc/74/90/65/949749065.db2.gz QBJQZOPPVMAHFD-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCS(C)(=O)=O ZINC001575277346 949749047 /nfs/dbraw/zinc/74/90/47/949749047.db2.gz QBJQZOPPVMAHFD-DTWKUNHWSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277347 949749470 /nfs/dbraw/zinc/74/94/70/949749470.db2.gz QBJQZOPPVMAHFD-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@H](NC(=O)CCS(C)(=O)=O)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277347 949749458 /nfs/dbraw/zinc/74/94/58/949749458.db2.gz QBJQZOPPVMAHFD-IUCAKERBSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277348 949749652 /nfs/dbraw/zinc/74/96/52/949749652.db2.gz QBJQZOPPVMAHFD-RKDXNWHRSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)CCS(C)(=O)=O)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277348 949749643 /nfs/dbraw/zinc/74/96/43/949749643.db2.gz QBJQZOPPVMAHFD-RKDXNWHRSA-N -1 3 383.434 -0.748 20 0 GBADHM C[C@@H](NC(=O)CCc1cnn(C)n1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277617 949753863 /nfs/dbraw/zinc/75/38/63/949753863.db2.gz RIGSQMTUWUHMMB-NXEZZACHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cnn(C)n1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277617 949753848 /nfs/dbraw/zinc/75/38/48/949753848.db2.gz RIGSQMTUWUHMMB-NXEZZACHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277619 949755805 /nfs/dbraw/zinc/75/58/05/949755805.db2.gz RIGSQMTUWUHMMB-UWVGGRQHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277619 949755793 /nfs/dbraw/zinc/75/57/93/949755793.db2.gz RIGSQMTUWUHMMB-UWVGGRQHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001575277620 949754670 /nfs/dbraw/zinc/75/46/70/949754670.db2.gz RIGSQMTUWUHMMB-VHSXEESVSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001575277620 949754661 /nfs/dbraw/zinc/75/46/61/949754661.db2.gz RIGSQMTUWUHMMB-VHSXEESVSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575277621 949757098 /nfs/dbraw/zinc/75/70/98/949757098.db2.gz RIGSQMTUWUHMMB-ZJUUUORDSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575277621 949757089 /nfs/dbraw/zinc/75/70/89/949757089.db2.gz RIGSQMTUWUHMMB-ZJUUUORDSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cn(C)nn1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277924 949761276 /nfs/dbraw/zinc/76/12/76/949761276.db2.gz SPWXEOXJTIYYRM-NXEZZACHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cn(C)nn1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277924 949761261 /nfs/dbraw/zinc/76/12/61/949761261.db2.gz SPWXEOXJTIYYRM-NXEZZACHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@H](NC(=O)CCc1cn(C)nn1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277926 949760723 /nfs/dbraw/zinc/76/07/23/949760723.db2.gz SPWXEOXJTIYYRM-UWVGGRQHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@H](NC(=O)CCc1cn(C)nn1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277926 949760711 /nfs/dbraw/zinc/76/07/11/949760711.db2.gz SPWXEOXJTIYYRM-UWVGGRQHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001575277928 949759207 /nfs/dbraw/zinc/75/92/07/949759207.db2.gz SPWXEOXJTIYYRM-VHSXEESVSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCc1cn(C)nn1 ZINC001575277928 949759185 /nfs/dbraw/zinc/75/91/85/949759185.db2.gz SPWXEOXJTIYYRM-VHSXEESVSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cn(C)nn1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575277930 949759965 /nfs/dbraw/zinc/75/99/65/949759965.db2.gz SPWXEOXJTIYYRM-ZJUUUORDSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cn(C)nn1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575277930 949759944 /nfs/dbraw/zinc/75/99/44/949759944.db2.gz SPWXEOXJTIYYRM-ZJUUUORDSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cnn(C)n1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575279784 949787954 /nfs/dbraw/zinc/78/79/54/949787954.db2.gz ZWJUJWHLVGNIMU-NXEZZACHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cnn(C)n1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575279784 949787932 /nfs/dbraw/zinc/78/79/32/949787932.db2.gz ZWJUJWHLVGNIMU-NXEZZACHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575279785 949788451 /nfs/dbraw/zinc/78/84/51/949788451.db2.gz ZWJUJWHLVGNIMU-UWVGGRQHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575279785 949788429 /nfs/dbraw/zinc/78/84/29/949788429.db2.gz ZWJUJWHLVGNIMU-UWVGGRQHSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001575279786 949786732 /nfs/dbraw/zinc/78/67/32/949786732.db2.gz ZWJUJWHLVGNIMU-VHSXEESVSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CCc1cnn(C)n1 ZINC001575279786 949786712 /nfs/dbraw/zinc/78/67/12/949786712.db2.gz ZWJUJWHLVGNIMU-VHSXEESVSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575279787 949787527 /nfs/dbraw/zinc/78/75/27/949787527.db2.gz ZWJUJWHLVGNIMU-ZJUUUORDSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)CCc1cnn(C)n1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575279787 949787512 /nfs/dbraw/zinc/78/75/12/949787512.db2.gz ZWJUJWHLVGNIMU-ZJUUUORDSA-N -1 3 386.420 -0.421 20 0 GBADHM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575280837 949793296 /nfs/dbraw/zinc/79/32/96/949793296.db2.gz AISIWPYYLBBVFD-GHMZBOCLSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575280837 949793275 /nfs/dbraw/zinc/79/32/75/949793275.db2.gz AISIWPYYLBBVFD-GHMZBOCLSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575280838 949791898 /nfs/dbraw/zinc/79/18/98/949791898.db2.gz AISIWPYYLBBVFD-MNOVXSKESA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575280838 949791878 /nfs/dbraw/zinc/79/18/78/949791878.db2.gz AISIWPYYLBBVFD-MNOVXSKESA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575280839 949793849 /nfs/dbraw/zinc/79/38/49/949793849.db2.gz AISIWPYYLBBVFD-QWRGUYRKSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575280839 949793826 /nfs/dbraw/zinc/79/38/26/949793826.db2.gz AISIWPYYLBBVFD-QWRGUYRKSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575280840 949793615 /nfs/dbraw/zinc/79/36/15/949793615.db2.gz AISIWPYYLBBVFD-WDEREUQCSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575280840 949793579 /nfs/dbraw/zinc/79/35/79/949793579.db2.gz AISIWPYYLBBVFD-WDEREUQCSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575281041 949797269 /nfs/dbraw/zinc/79/72/69/949797269.db2.gz BXZJHNSHOGPAOD-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575281041 949797258 /nfs/dbraw/zinc/79/72/58/949797258.db2.gz BXZJHNSHOGPAOD-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575281042 949797646 /nfs/dbraw/zinc/79/76/46/949797646.db2.gz BXZJHNSHOGPAOD-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575281042 949797627 /nfs/dbraw/zinc/79/76/27/949797627.db2.gz BXZJHNSHOGPAOD-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001575281043 949797878 /nfs/dbraw/zinc/79/78/78/949797878.db2.gz BXZJHNSHOGPAOD-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001575281043 949797864 /nfs/dbraw/zinc/79/78/64/949797864.db2.gz BXZJHNSHOGPAOD-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575281044 949798750 /nfs/dbraw/zinc/79/87/50/949798750.db2.gz BXZJHNSHOGPAOD-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575281044 949798734 /nfs/dbraw/zinc/79/87/34/949798734.db2.gz BXZJHNSHOGPAOD-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CS(C)(=O)=O)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575281192 949803039 /nfs/dbraw/zinc/80/30/39/949803039.db2.gz DQMDSMWVNNCBKG-SECBINFHSA-N -1 3 384.487 -0.091 20 0 GBADHM C[C@@H](NC(=O)CS(C)(=O)=O)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575281192 949803018 /nfs/dbraw/zinc/80/30/18/949803018.db2.gz DQMDSMWVNNCBKG-SECBINFHSA-N -1 3 384.487 -0.091 20 0 GBADHM C[C@H](NC(=O)CS(C)(=O)=O)C1CN(Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575281194 949801357 /nfs/dbraw/zinc/80/13/57/949801357.db2.gz DQMDSMWVNNCBKG-VIFPVBQESA-N -1 3 384.487 -0.091 20 0 GBADHM C[C@H](NC(=O)CS(C)(=O)=O)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575281194 949801328 /nfs/dbraw/zinc/80/13/28/949801328.db2.gz DQMDSMWVNNCBKG-VIFPVBQESA-N -1 3 384.487 -0.091 20 0 GBADHM C[C@H](NC(=O)CO[C@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575281433 949809659 /nfs/dbraw/zinc/80/96/59/949809659.db2.gz GCOXRIGUAJUZKS-GWCFXTLKSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@H](NC(=O)CO[C@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575281433 949809636 /nfs/dbraw/zinc/80/96/36/949809636.db2.gz GCOXRIGUAJUZKS-GWCFXTLKSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@H](NC(=O)CO[C@@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575281436 949809434 /nfs/dbraw/zinc/80/94/34/949809434.db2.gz GCOXRIGUAJUZKS-GXFFZTMASA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@H](NC(=O)CO[C@@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575281436 949809410 /nfs/dbraw/zinc/80/94/10/949809410.db2.gz GCOXRIGUAJUZKS-GXFFZTMASA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CO[C@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575281438 949809857 /nfs/dbraw/zinc/80/98/57/949809857.db2.gz GCOXRIGUAJUZKS-MFKMUULPSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CO[C@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575281438 949809830 /nfs/dbraw/zinc/80/98/30/949809830.db2.gz GCOXRIGUAJUZKS-MFKMUULPSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CO[C@@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575281439 949810480 /nfs/dbraw/zinc/81/04/80/949810480.db2.gz GCOXRIGUAJUZKS-ZWNOBZJWSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CO[C@@H]1CCOC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575281439 949810466 /nfs/dbraw/zinc/81/04/66/949810466.db2.gz GCOXRIGUAJUZKS-ZWNOBZJWSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575281673 949812835 /nfs/dbraw/zinc/81/28/35/949812835.db2.gz ACMATPNUEPUEHT-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575281673 949812816 /nfs/dbraw/zinc/81/28/16/949812816.db2.gz ACMATPNUEPUEHT-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575281675 949811235 /nfs/dbraw/zinc/81/12/35/949811235.db2.gz ACMATPNUEPUEHT-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575281675 949811215 /nfs/dbraw/zinc/81/12/15/949811215.db2.gz ACMATPNUEPUEHT-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575281677 949813095 /nfs/dbraw/zinc/81/30/95/949813095.db2.gz ACMATPNUEPUEHT-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575281677 949813080 /nfs/dbraw/zinc/81/30/80/949813080.db2.gz ACMATPNUEPUEHT-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001575281679 949812135 /nfs/dbraw/zinc/81/21/35/949812135.db2.gz ACMATPNUEPUEHT-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001575281679 949812112 /nfs/dbraw/zinc/81/21/12/949812112.db2.gz ACMATPNUEPUEHT-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575281714 949815892 /nfs/dbraw/zinc/81/58/92/949815892.db2.gz ALKWNNBAFOVMAQ-LLVKDONJSA-N -1 3 388.432 -0.896 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575281714 949815873 /nfs/dbraw/zinc/81/58/73/949815873.db2.gz ALKWNNBAFOVMAQ-LLVKDONJSA-N -1 3 388.432 -0.896 20 0 GBADHM C[C@H](NC(=O)CN1CCOCC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575281716 949819780 /nfs/dbraw/zinc/81/97/80/949819780.db2.gz ALKWNNBAFOVMAQ-NSHDSACASA-N -1 3 388.432 -0.896 20 0 GBADHM C[C@H](NC(=O)CN1CCOCC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575281716 949819761 /nfs/dbraw/zinc/81/97/61/949819761.db2.gz ALKWNNBAFOVMAQ-NSHDSACASA-N -1 3 388.432 -0.896 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575281718 949820609 /nfs/dbraw/zinc/82/06/09/949820609.db2.gz ANXUBDHOWNIWRZ-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575281718 949820581 /nfs/dbraw/zinc/82/05/81/949820581.db2.gz ANXUBDHOWNIWRZ-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575281719 949818102 /nfs/dbraw/zinc/81/81/02/949818102.db2.gz ANXUBDHOWNIWRZ-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575281719 949818090 /nfs/dbraw/zinc/81/80/90/949818090.db2.gz ANXUBDHOWNIWRZ-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001575281725 949818445 /nfs/dbraw/zinc/81/84/45/949818445.db2.gz ANXUBDHOWNIWRZ-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001575281725 949818425 /nfs/dbraw/zinc/81/84/25/949818425.db2.gz ANXUBDHOWNIWRZ-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575281727 949820746 /nfs/dbraw/zinc/82/07/46/949820746.db2.gz ANXUBDHOWNIWRZ-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575281727 949820724 /nfs/dbraw/zinc/82/07/24/949820724.db2.gz ANXUBDHOWNIWRZ-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575281729 949818839 /nfs/dbraw/zinc/81/88/39/949818839.db2.gz AODFPOHLAFLXFQ-NXEZZACHSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575281729 949818814 /nfs/dbraw/zinc/81/88/14/949818814.db2.gz AODFPOHLAFLXFQ-NXEZZACHSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575281733 949816003 /nfs/dbraw/zinc/81/60/03/949816003.db2.gz AODFPOHLAFLXFQ-UWVGGRQHSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575281733 949815987 /nfs/dbraw/zinc/81/59/87/949815987.db2.gz AODFPOHLAFLXFQ-UWVGGRQHSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575281736 949816274 /nfs/dbraw/zinc/81/62/74/949816274.db2.gz AODFPOHLAFLXFQ-VHSXEESVSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575281736 949816257 /nfs/dbraw/zinc/81/62/57/949816257.db2.gz AODFPOHLAFLXFQ-VHSXEESVSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001575281738 949818379 /nfs/dbraw/zinc/81/83/79/949818379.db2.gz AODFPOHLAFLXFQ-ZJUUUORDSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001575281738 949818354 /nfs/dbraw/zinc/81/83/54/949818354.db2.gz AODFPOHLAFLXFQ-ZJUUUORDSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](NC(=O)CNC(=O)C1CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575281774 949816518 /nfs/dbraw/zinc/81/65/18/949816518.db2.gz AQFHEGJNRBYGCH-SECBINFHSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](NC(=O)CNC(=O)C1CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575281774 949816495 /nfs/dbraw/zinc/81/64/95/949816495.db2.gz AQFHEGJNRBYGCH-SECBINFHSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](NC(=O)CNC(=O)C1CC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575281778 949820037 /nfs/dbraw/zinc/82/00/37/949820037.db2.gz AQFHEGJNRBYGCH-VIFPVBQESA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](NC(=O)CNC(=O)C1CC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575281778 949820019 /nfs/dbraw/zinc/82/00/19/949820019.db2.gz AQFHEGJNRBYGCH-VIFPVBQESA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](NC(=O)COc1cnn(C)c1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575281808 949819622 /nfs/dbraw/zinc/81/96/22/949819622.db2.gz HKIZWRVYLSFZJJ-NXEZZACHSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)COc1cnn(C)c1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575281808 949819603 /nfs/dbraw/zinc/81/96/03/949819603.db2.gz HKIZWRVYLSFZJJ-NXEZZACHSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@H](NC(=O)COc1cnn(C)c1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575281811 949817073 /nfs/dbraw/zinc/81/70/73/949817073.db2.gz HKIZWRVYLSFZJJ-UWVGGRQHSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@H](NC(=O)COc1cnn(C)c1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575281811 949817062 /nfs/dbraw/zinc/81/70/62/949817062.db2.gz HKIZWRVYLSFZJJ-UWVGGRQHSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)COc1cnn(C)c1 ZINC001575281814 949815944 /nfs/dbraw/zinc/81/59/44/949815944.db2.gz HKIZWRVYLSFZJJ-VHSXEESVSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)COc1cnn(C)c1 ZINC001575281814 949815926 /nfs/dbraw/zinc/81/59/26/949815926.db2.gz HKIZWRVYLSFZJJ-VHSXEESVSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)COc1cnn(C)c1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575281817 949817321 /nfs/dbraw/zinc/81/73/21/949817321.db2.gz HKIZWRVYLSFZJJ-ZJUUUORDSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)COc1cnn(C)c1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575281817 949817299 /nfs/dbraw/zinc/81/72/99/949817299.db2.gz HKIZWRVYLSFZJJ-ZJUUUORDSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575282289 949826561 /nfs/dbraw/zinc/82/65/61/949826561.db2.gz JUWCCNNVIOXAGN-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575282289 949826553 /nfs/dbraw/zinc/82/65/53/949826553.db2.gz JUWCCNNVIOXAGN-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575282292 949829365 /nfs/dbraw/zinc/82/93/65/949829365.db2.gz JUWCCNNVIOXAGN-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575282292 949829349 /nfs/dbraw/zinc/82/93/49/949829349.db2.gz JUWCCNNVIOXAGN-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575282295 949828311 /nfs/dbraw/zinc/82/83/11/949828311.db2.gz JUWCCNNVIOXAGN-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CS(=O)(=O)N(C)C)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575282295 949828289 /nfs/dbraw/zinc/82/82/89/949828289.db2.gz JUWCCNNVIOXAGN-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001575282297 949829191 /nfs/dbraw/zinc/82/91/91/949829191.db2.gz JUWCCNNVIOXAGN-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CS(=O)(=O)N(C)C ZINC001575282297 949829175 /nfs/dbraw/zinc/82/91/75/949829175.db2.gz JUWCCNNVIOXAGN-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575282386 949830881 /nfs/dbraw/zinc/83/08/81/949830881.db2.gz BDTXDTUNXPJVDT-NXEZZACHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575282386 949830860 /nfs/dbraw/zinc/83/08/60/949830860.db2.gz BDTXDTUNXPJVDT-NXEZZACHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@H](NC(=O)CN1CCCNC1=O)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575282389 949832391 /nfs/dbraw/zinc/83/23/91/949832391.db2.gz BDTXDTUNXPJVDT-UWVGGRQHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@H](NC(=O)CN1CCCNC1=O)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575282389 949832373 /nfs/dbraw/zinc/83/23/73/949832373.db2.gz BDTXDTUNXPJVDT-UWVGGRQHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001575282392 949832463 /nfs/dbraw/zinc/83/24/63/949832463.db2.gz BDTXDTUNXPJVDT-VHSXEESVSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001575282392 949832442 /nfs/dbraw/zinc/83/24/42/949832442.db2.gz BDTXDTUNXPJVDT-VHSXEESVSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575282393 949830494 /nfs/dbraw/zinc/83/04/94/949830494.db2.gz BDTXDTUNXPJVDT-ZJUUUORDSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575282393 949830479 /nfs/dbraw/zinc/83/04/79/949830479.db2.gz BDTXDTUNXPJVDT-ZJUUUORDSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)CN1CCCCC1=O)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575282407 949833777 /nfs/dbraw/zinc/83/37/77/949833777.db2.gz BEYHDSZXIPCHDH-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CN1CCCCC1=O)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575282407 949833756 /nfs/dbraw/zinc/83/37/56/949833756.db2.gz BEYHDSZXIPCHDH-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CN1CCCCC1=O)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575282409 949833509 /nfs/dbraw/zinc/83/35/09/949833509.db2.gz BEYHDSZXIPCHDH-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CN1CCCCC1=O)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575282409 949833484 /nfs/dbraw/zinc/83/34/84/949833484.db2.gz BEYHDSZXIPCHDH-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](NC(=O)CN1CCCCC1=O)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575282411 949833094 /nfs/dbraw/zinc/83/30/94/949833094.db2.gz BEYHDSZXIPCHDH-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](NC(=O)CN1CCCCC1=O)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575282411 949833076 /nfs/dbraw/zinc/83/30/76/949833076.db2.gz BEYHDSZXIPCHDH-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CN1CCCCC1=O ZINC001575282412 949832091 /nfs/dbraw/zinc/83/20/91/949832091.db2.gz BEYHDSZXIPCHDH-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CN1CCCCC1=O ZINC001575282412 949832066 /nfs/dbraw/zinc/83/20/66/949832066.db2.gz BEYHDSZXIPCHDH-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](NC(=O)CN1CCCC1=O)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575282417 949830736 /nfs/dbraw/zinc/83/07/36/949830736.db2.gz BKPQZWVUNCJLNK-JTQLQIEISA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@H](NC(=O)CN1CCCC1=O)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575282417 949830709 /nfs/dbraw/zinc/83/07/09/949830709.db2.gz BKPQZWVUNCJLNK-JTQLQIEISA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](NC(=O)CN1CCCC1=O)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575282419 949832294 /nfs/dbraw/zinc/83/22/94/949832294.db2.gz BKPQZWVUNCJLNK-SNVBAGLBSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](NC(=O)CN1CCCC1=O)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575282419 949832276 /nfs/dbraw/zinc/83/22/76/949832276.db2.gz BKPQZWVUNCJLNK-SNVBAGLBSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1=O)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575282466 949837795 /nfs/dbraw/zinc/83/77/95/949837795.db2.gz BRZAYLOLGNSYBP-NXEZZACHSA-N -1 3 392.395 -0.435 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1=O)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575282466 949837772 /nfs/dbraw/zinc/83/77/72/949837772.db2.gz BRZAYLOLGNSYBP-NXEZZACHSA-N -1 3 392.395 -0.435 20 0 GBADHM C[C@H](NC(=O)CN1CCOCC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575282467 949835933 /nfs/dbraw/zinc/83/59/33/949835933.db2.gz BRZAYLOLGNSYBP-UWVGGRQHSA-N -1 3 392.395 -0.435 20 0 GBADHM C[C@H](NC(=O)CN1CCOCC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575282467 949835904 /nfs/dbraw/zinc/83/59/04/949835904.db2.gz BRZAYLOLGNSYBP-UWVGGRQHSA-N -1 3 392.395 -0.435 20 0 GBADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001575282469 949838116 /nfs/dbraw/zinc/83/81/16/949838116.db2.gz BRZAYLOLGNSYBP-VHSXEESVSA-N -1 3 392.395 -0.435 20 0 GBADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CN1CCOCC1=O ZINC001575282469 949838100 /nfs/dbraw/zinc/83/81/00/949838100.db2.gz BRZAYLOLGNSYBP-VHSXEESVSA-N -1 3 392.395 -0.435 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575282471 949836134 /nfs/dbraw/zinc/83/61/34/949836134.db2.gz BRZAYLOLGNSYBP-ZJUUUORDSA-N -1 3 392.395 -0.435 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575282471 949836114 /nfs/dbraw/zinc/83/61/14/949836114.db2.gz BRZAYLOLGNSYBP-ZJUUUORDSA-N -1 3 392.395 -0.435 20 0 GBADHM C[C@@H](NC(=O)COc1cnn(C)c1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575282665 949844703 /nfs/dbraw/zinc/84/47/03/949844703.db2.gz LPFDFUBRPQGNKC-NXEZZACHSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)COc1cnn(C)c1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575282665 949844678 /nfs/dbraw/zinc/84/46/78/949844678.db2.gz LPFDFUBRPQGNKC-NXEZZACHSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@H](NC(=O)COc1cnn(C)c1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575282667 949842654 /nfs/dbraw/zinc/84/26/54/949842654.db2.gz LPFDFUBRPQGNKC-UWVGGRQHSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@H](NC(=O)COc1cnn(C)c1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575282667 949842628 /nfs/dbraw/zinc/84/26/28/949842628.db2.gz LPFDFUBRPQGNKC-UWVGGRQHSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)COc1cnn(C)c1 ZINC001575282670 949844324 /nfs/dbraw/zinc/84/43/24/949844324.db2.gz LPFDFUBRPQGNKC-VHSXEESVSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)COc1cnn(C)c1 ZINC001575282670 949844308 /nfs/dbraw/zinc/84/43/08/949844308.db2.gz LPFDFUBRPQGNKC-VHSXEESVSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)COc1cnn(C)c1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575282672 949845567 /nfs/dbraw/zinc/84/55/67/949845567.db2.gz LPFDFUBRPQGNKC-ZJUUUORDSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)COc1cnn(C)c1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575282672 949845548 /nfs/dbraw/zinc/84/55/48/949845548.db2.gz LPFDFUBRPQGNKC-ZJUUUORDSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575282957 949848961 /nfs/dbraw/zinc/84/89/61/949848961.db2.gz CWFNYPJZRCNGPN-NXEZZACHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575282957 949848937 /nfs/dbraw/zinc/84/89/37/949848937.db2.gz CWFNYPJZRCNGPN-NXEZZACHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575282958 949851476 /nfs/dbraw/zinc/85/14/76/949851476.db2.gz CWFNYPJZRCNGPN-UWVGGRQHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575282958 949851450 /nfs/dbraw/zinc/85/14/50/949851450.db2.gz CWFNYPJZRCNGPN-UWVGGRQHSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001575282959 949851944 /nfs/dbraw/zinc/85/19/44/949851944.db2.gz CWFNYPJZRCNGPN-VHSXEESVSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CNC(=O)C(C)(C)C ZINC001575282959 949851920 /nfs/dbraw/zinc/85/19/20/949851920.db2.gz CWFNYPJZRCNGPN-VHSXEESVSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575282960 949847852 /nfs/dbraw/zinc/84/78/52/949847852.db2.gz CWFNYPJZRCNGPN-ZJUUUORDSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575282960 949847835 /nfs/dbraw/zinc/84/78/35/949847835.db2.gz CWFNYPJZRCNGPN-ZJUUUORDSA-N -1 3 390.448 -0.020 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001575283013 949853743 /nfs/dbraw/zinc/85/37/43/949853743.db2.gz DSCMNDBPKIEJPK-NEPJUHHUSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001575283013 949853719 /nfs/dbraw/zinc/85/37/19/949853719.db2.gz DSCMNDBPKIEJPK-NEPJUHHUSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575283014 949854683 /nfs/dbraw/zinc/85/46/83/949854683.db2.gz DSCMNDBPKIEJPK-NWDGAFQWSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575283014 949854660 /nfs/dbraw/zinc/85/46/60/949854660.db2.gz DSCMNDBPKIEJPK-NWDGAFQWSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575283102 949854198 /nfs/dbraw/zinc/85/41/98/949854198.db2.gz NLLFJEBHGVNVDJ-GHMZBOCLSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575283102 949854175 /nfs/dbraw/zinc/85/41/75/949854175.db2.gz NLLFJEBHGVNVDJ-GHMZBOCLSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575283105 949852752 /nfs/dbraw/zinc/85/27/52/949852752.db2.gz NLLFJEBHGVNVDJ-MNOVXSKESA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575283105 949852723 /nfs/dbraw/zinc/85/27/23/949852723.db2.gz NLLFJEBHGVNVDJ-MNOVXSKESA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575283107 949857401 /nfs/dbraw/zinc/85/74/01/949857401.db2.gz NLLFJEBHGVNVDJ-QWRGUYRKSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575283107 949857377 /nfs/dbraw/zinc/85/73/77/949857377.db2.gz NLLFJEBHGVNVDJ-QWRGUYRKSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575283109 949853284 /nfs/dbraw/zinc/85/32/84/949853284.db2.gz NLLFJEBHGVNVDJ-WDEREUQCSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575283109 949853269 /nfs/dbraw/zinc/85/32/69/949853269.db2.gz NLLFJEBHGVNVDJ-WDEREUQCSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575283241 949859069 /nfs/dbraw/zinc/85/90/69/949859069.db2.gz DSCMNDBPKIEJPK-RYUDHWBXSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575283241 949859050 /nfs/dbraw/zinc/85/90/50/949859050.db2.gz DSCMNDBPKIEJPK-RYUDHWBXSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575283243 949860818 /nfs/dbraw/zinc/86/08/18/949860818.db2.gz DSCMNDBPKIEJPK-VXGBXAGGSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575283243 949860808 /nfs/dbraw/zinc/86/08/08/949860808.db2.gz DSCMNDBPKIEJPK-VXGBXAGGSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@H](NC(=O)CCn1ccnn1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575283259 949857938 /nfs/dbraw/zinc/85/79/38/949857938.db2.gz DTTHXYNISOSNQY-JTQLQIEISA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@H](NC(=O)CCn1ccnn1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575283259 949857916 /nfs/dbraw/zinc/85/79/16/949857916.db2.gz DTTHXYNISOSNQY-JTQLQIEISA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)CCn1ccnn1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575283261 949861896 /nfs/dbraw/zinc/86/18/96/949861896.db2.gz DTTHXYNISOSNQY-SNVBAGLBSA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)CCn1ccnn1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575283261 949861875 /nfs/dbraw/zinc/86/18/75/949861875.db2.gz DTTHXYNISOSNQY-SNVBAGLBSA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575283320 949863345 /nfs/dbraw/zinc/86/33/45/949863345.db2.gz FGUWWTLIFXGHCM-LLVKDONJSA-N -1 3 388.432 -0.896 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575283320 949863331 /nfs/dbraw/zinc/86/33/31/949863331.db2.gz FGUWWTLIFXGHCM-LLVKDONJSA-N -1 3 388.432 -0.896 20 0 GBADHM C[C@H](NC(=O)CN1CCOCC1)C1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575283322 949867942 /nfs/dbraw/zinc/86/79/42/949867942.db2.gz FGUWWTLIFXGHCM-NSHDSACASA-N -1 3 388.432 -0.896 20 0 GBADHM C[C@H](NC(=O)CN1CCOCC1)C1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575283322 949867932 /nfs/dbraw/zinc/86/79/32/949867932.db2.gz FGUWWTLIFXGHCM-NSHDSACASA-N -1 3 388.432 -0.896 20 0 GBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575283336 949863478 /nfs/dbraw/zinc/86/34/78/949863478.db2.gz FPJYZNSVJHGUKK-NXEZZACHSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575283336 949863462 /nfs/dbraw/zinc/86/34/62/949863462.db2.gz FPJYZNSVJHGUKK-NXEZZACHSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575283339 949866510 /nfs/dbraw/zinc/86/65/10/949866510.db2.gz FPJYZNSVJHGUKK-UWVGGRQHSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575283339 949866487 /nfs/dbraw/zinc/86/64/87/949866487.db2.gz FPJYZNSVJHGUKK-UWVGGRQHSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001575283341 949866958 /nfs/dbraw/zinc/86/69/58/949866958.db2.gz FPJYZNSVJHGUKK-VHSXEESVSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001575283341 949866944 /nfs/dbraw/zinc/86/69/44/949866944.db2.gz FPJYZNSVJHGUKK-VHSXEESVSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575283343 949864062 /nfs/dbraw/zinc/86/40/62/949864062.db2.gz FPJYZNSVJHGUKK-ZJUUUORDSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575283343 949864030 /nfs/dbraw/zinc/86/40/30/949864030.db2.gz FPJYZNSVJHGUKK-ZJUUUORDSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575283345 949864477 /nfs/dbraw/zinc/86/44/77/949864477.db2.gz FREJDSDIBSRJTA-GHMZBOCLSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575283345 949864459 /nfs/dbraw/zinc/86/44/59/949864459.db2.gz FREJDSDIBSRJTA-GHMZBOCLSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001575283346 949865352 /nfs/dbraw/zinc/86/53/52/949865352.db2.gz FREJDSDIBSRJTA-MNOVXSKESA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001575283346 949865325 /nfs/dbraw/zinc/86/53/25/949865325.db2.gz FREJDSDIBSRJTA-MNOVXSKESA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575283348 949867724 /nfs/dbraw/zinc/86/77/24/949867724.db2.gz FREJDSDIBSRJTA-QWRGUYRKSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575283348 949867707 /nfs/dbraw/zinc/86/77/07/949867707.db2.gz FREJDSDIBSRJTA-QWRGUYRKSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575283351 949865795 /nfs/dbraw/zinc/86/57/95/949865795.db2.gz FREJDSDIBSRJTA-WDEREUQCSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575283351 949865769 /nfs/dbraw/zinc/86/57/69/949865769.db2.gz FREJDSDIBSRJTA-WDEREUQCSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@H](NC(=O)CN1CCCC1=O)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575283361 949864230 /nfs/dbraw/zinc/86/42/30/949864230.db2.gz FTMACWHXSNVQDQ-JTQLQIEISA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@H](NC(=O)CN1CCCC1=O)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575283361 949864211 /nfs/dbraw/zinc/86/42/11/949864211.db2.gz FTMACWHXSNVQDQ-JTQLQIEISA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](NC(=O)CN1CCCC1=O)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575283363 949865143 /nfs/dbraw/zinc/86/51/43/949865143.db2.gz FTMACWHXSNVQDQ-SNVBAGLBSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](NC(=O)CN1CCCC1=O)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575283363 949865120 /nfs/dbraw/zinc/86/51/20/949865120.db2.gz FTMACWHXSNVQDQ-SNVBAGLBSA-N -1 3 386.416 -0.606 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575283391 949870160 /nfs/dbraw/zinc/87/01/60/949870160.db2.gz FZANVVVYQGDFQC-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575283391 949870143 /nfs/dbraw/zinc/87/01/43/949870143.db2.gz FZANVVVYQGDFQC-NXEZZACHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575283393 949872491 /nfs/dbraw/zinc/87/24/91/949872491.db2.gz FZANVVVYQGDFQC-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575283393 949872471 /nfs/dbraw/zinc/87/24/71/949872471.db2.gz FZANVVVYQGDFQC-UWVGGRQHSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575283395 949869150 /nfs/dbraw/zinc/86/91/50/949869150.db2.gz FZANVVVYQGDFQC-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575283395 949869132 /nfs/dbraw/zinc/86/91/32/949869132.db2.gz FZANVVVYQGDFQC-VHSXEESVSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001575283397 949868658 /nfs/dbraw/zinc/86/86/58/949868658.db2.gz FZANVVVYQGDFQC-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CN(C)S(C)(=O)=O ZINC001575283397 949868642 /nfs/dbraw/zinc/86/86/42/949868642.db2.gz FZANVVVYQGDFQC-ZJUUUORDSA-N -1 3 382.450 -0.542 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575283711 949882567 /nfs/dbraw/zinc/88/25/67/949882567.db2.gz GYPVFAABIWPJIS-GHMZBOCLSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575283711 949882549 /nfs/dbraw/zinc/88/25/49/949882549.db2.gz GYPVFAABIWPJIS-GHMZBOCLSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575283713 949879080 /nfs/dbraw/zinc/87/90/80/949879080.db2.gz GYPVFAABIWPJIS-MNOVXSKESA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575283713 949879058 /nfs/dbraw/zinc/87/90/58/949879058.db2.gz GYPVFAABIWPJIS-MNOVXSKESA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@H](NC(=O)CN1CCOCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575283714 949881600 /nfs/dbraw/zinc/88/16/00/949881600.db2.gz GYPVFAABIWPJIS-QWRGUYRKSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@H](NC(=O)CN1CCOCC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575283714 949881577 /nfs/dbraw/zinc/88/15/77/949881577.db2.gz GYPVFAABIWPJIS-QWRGUYRKSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CN1CCOCC1 ZINC001575283715 949881208 /nfs/dbraw/zinc/88/12/08/949881208.db2.gz GYPVFAABIWPJIS-WDEREUQCSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CN1CCOCC1 ZINC001575283715 949881188 /nfs/dbraw/zinc/88/11/88/949881188.db2.gz GYPVFAABIWPJIS-WDEREUQCSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575283720 949880740 /nfs/dbraw/zinc/88/07/40/949880740.db2.gz HATQLRRQBTUDRJ-MQBJUPHKSA-N -1 3 384.444 -0.231 20 0 GBADHM C[C@@H](NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575283720 949880714 /nfs/dbraw/zinc/88/07/14/949880714.db2.gz HATQLRRQBTUDRJ-MQBJUPHKSA-N -1 3 384.444 -0.231 20 0 GBADHM C[C@H](NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CC1 ZINC001575283721 949881448 /nfs/dbraw/zinc/88/14/48/949881448.db2.gz HATQLRRQBTUDRJ-WSNQVKOXSA-N -1 3 384.444 -0.231 20 0 GBADHM C[C@H](NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CC1 ZINC001575283721 949881426 /nfs/dbraw/zinc/88/14/26/949881426.db2.gz HATQLRRQBTUDRJ-WSNQVKOXSA-N -1 3 384.444 -0.231 20 0 GBADHM C[C@@H](NC(=O)CCn1cnnn1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575283758 949887654 /nfs/dbraw/zinc/88/76/54/949887654.db2.gz HLSZYKJCBZKJKF-BDAKNGLRSA-N -1 3 375.372 -0.217 20 0 GBADHM C[C@@H](NC(=O)CCn1cnnn1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575283758 949887631 /nfs/dbraw/zinc/88/76/31/949887631.db2.gz HLSZYKJCBZKJKF-BDAKNGLRSA-N -1 3 375.372 -0.217 20 0 GBADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CCn1cnnn1 ZINC001575283759 949886012 /nfs/dbraw/zinc/88/60/12/949886012.db2.gz HLSZYKJCBZKJKF-DTWKUNHWSA-N -1 3 375.372 -0.217 20 0 GBADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CCn1cnnn1 ZINC001575283759 949885997 /nfs/dbraw/zinc/88/59/97/949885997.db2.gz HLSZYKJCBZKJKF-DTWKUNHWSA-N -1 3 375.372 -0.217 20 0 GBADHM C[C@H](NC(=O)CCn1cnnn1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575283761 949887792 /nfs/dbraw/zinc/88/77/92/949887792.db2.gz HLSZYKJCBZKJKF-IUCAKERBSA-N -1 3 375.372 -0.217 20 0 GBADHM C[C@H](NC(=O)CCn1cnnn1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575283761 949887772 /nfs/dbraw/zinc/88/77/72/949887772.db2.gz HLSZYKJCBZKJKF-IUCAKERBSA-N -1 3 375.372 -0.217 20 0 GBADHM C[C@@H](NC(=O)CCn1cnnn1)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575283763 949886961 /nfs/dbraw/zinc/88/69/61/949886961.db2.gz HLSZYKJCBZKJKF-RKDXNWHRSA-N -1 3 375.372 -0.217 20 0 GBADHM C[C@@H](NC(=O)CCn1cnnn1)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575283763 949886941 /nfs/dbraw/zinc/88/69/41/949886941.db2.gz HLSZYKJCBZKJKF-RKDXNWHRSA-N -1 3 375.372 -0.217 20 0 GBADHM C[C@H](NC(=O)CCn1cnnn1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575283764 949885745 /nfs/dbraw/zinc/88/57/45/949885745.db2.gz HMZRLIYBOABCMQ-JTQLQIEISA-N -1 3 388.461 -0.059 20 0 GBADHM C[C@@H](NC(=O)CCn1cnnn1)C1CN(Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575283766 949887563 /nfs/dbraw/zinc/88/75/63/949887563.db2.gz HMZRLIYBOABCMQ-SNVBAGLBSA-N -1 3 388.461 -0.059 20 0 GBADHM C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ncon1 ZINC001575283940 949885497 /nfs/dbraw/zinc/88/54/97/949885497.db2.gz RQTYUCLLWIBMSO-MRVPVSSYSA-N -1 3 378.374 -0.595 20 0 GBADHM C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ncon1 ZINC001575283940 949885471 /nfs/dbraw/zinc/88/54/71/949885471.db2.gz RQTYUCLLWIBMSO-MRVPVSSYSA-N -1 3 378.374 -0.595 20 0 GBADHM C[C@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ncon1 ZINC001575283941 949884970 /nfs/dbraw/zinc/88/49/70/949884970.db2.gz RQTYUCLLWIBMSO-QMMMGPOBSA-N -1 3 378.374 -0.595 20 0 GBADHM C[C@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ncon1 ZINC001575283941 949884952 /nfs/dbraw/zinc/88/49/52/949884952.db2.gz RQTYUCLLWIBMSO-QMMMGPOBSA-N -1 3 378.374 -0.595 20 0 GBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575284503 949907005 /nfs/dbraw/zinc/90/70/05/949907005.db2.gz IYVCLNZKIRYFTI-NEPJUHHUSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575284503 949906991 /nfs/dbraw/zinc/90/69/91/949906991.db2.gz IYVCLNZKIRYFTI-NEPJUHHUSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001575284505 949904829 /nfs/dbraw/zinc/90/48/29/949904829.db2.gz IYVCLNZKIRYFTI-NWDGAFQWSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001575284505 949904813 /nfs/dbraw/zinc/90/48/13/949904813.db2.gz IYVCLNZKIRYFTI-NWDGAFQWSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575284507 949906355 /nfs/dbraw/zinc/90/63/55/949906355.db2.gz IYVCLNZKIRYFTI-RYUDHWBXSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575284507 949906327 /nfs/dbraw/zinc/90/63/27/949906327.db2.gz IYVCLNZKIRYFTI-RYUDHWBXSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575284509 949908896 /nfs/dbraw/zinc/90/88/96/949908896.db2.gz IYVCLNZKIRYFTI-VXGBXAGGSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575284509 949908878 /nfs/dbraw/zinc/90/88/78/949908878.db2.gz IYVCLNZKIRYFTI-VXGBXAGGSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575284536 949907111 /nfs/dbraw/zinc/90/71/11/949907111.db2.gz JGPWNICNZIDQER-GHMZBOCLSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575284536 949907098 /nfs/dbraw/zinc/90/70/98/949907098.db2.gz JGPWNICNZIDQER-GHMZBOCLSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001575284537 949907190 /nfs/dbraw/zinc/90/71/90/949907190.db2.gz JGPWNICNZIDQER-MNOVXSKESA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001575284537 949907183 /nfs/dbraw/zinc/90/71/83/949907183.db2.gz JGPWNICNZIDQER-MNOVXSKESA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575284538 949908524 /nfs/dbraw/zinc/90/85/24/949908524.db2.gz JGPWNICNZIDQER-QWRGUYRKSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575284538 949908512 /nfs/dbraw/zinc/90/85/12/949908512.db2.gz JGPWNICNZIDQER-QWRGUYRKSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001575284539 949905088 /nfs/dbraw/zinc/90/50/88/949905088.db2.gz JGPWNICNZIDQER-WDEREUQCSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001575284539 949905072 /nfs/dbraw/zinc/90/50/72/949905072.db2.gz JGPWNICNZIDQER-WDEREUQCSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@H](NC(=O)CCn1ccnn1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575284569 949913762 /nfs/dbraw/zinc/91/37/62/949913762.db2.gz JPSRFCZZMAQGAL-JTQLQIEISA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@H](NC(=O)CCn1ccnn1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575284569 949913747 /nfs/dbraw/zinc/91/37/47/949913747.db2.gz JPSRFCZZMAQGAL-JTQLQIEISA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)CCn1ccnn1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575284570 949913319 /nfs/dbraw/zinc/91/33/19/949913319.db2.gz JPSRFCZZMAQGAL-SNVBAGLBSA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)CCn1ccnn1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575284570 949913299 /nfs/dbraw/zinc/91/32/99/949913299.db2.gz JPSRFCZZMAQGAL-SNVBAGLBSA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001575284575 949912678 /nfs/dbraw/zinc/91/26/78/949912678.db2.gz JRTMHUYVRHYSBH-NEPJUHHUSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CN1CCN(C)C(=O)C1 ZINC001575284575 949912661 /nfs/dbraw/zinc/91/26/61/949912661.db2.gz JRTMHUYVRHYSBH-NEPJUHHUSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575284576 949911213 /nfs/dbraw/zinc/91/12/13/949911213.db2.gz JRTMHUYVRHYSBH-NWDGAFQWSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575284576 949911192 /nfs/dbraw/zinc/91/11/92/949911192.db2.gz JRTMHUYVRHYSBH-NWDGAFQWSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575284578 949913704 /nfs/dbraw/zinc/91/37/04/949913704.db2.gz JRTMHUYVRHYSBH-RYUDHWBXSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@H](NC(=O)CN1CCN(C)C(=O)C1)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575284578 949913687 /nfs/dbraw/zinc/91/36/87/949913687.db2.gz JRTMHUYVRHYSBH-RYUDHWBXSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575284579 949909869 /nfs/dbraw/zinc/90/98/69/949909869.db2.gz JRTMHUYVRHYSBH-VXGBXAGGSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@@H](NC(=O)CN1CCN(C)C(=O)C1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575284579 949909845 /nfs/dbraw/zinc/90/98/45/949909845.db2.gz JRTMHUYVRHYSBH-VXGBXAGGSA-N -1 3 387.448 -0.659 20 0 GBADHM C[C@H](NC(=O)CO[C@@H]1CCOC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575284640 949911530 /nfs/dbraw/zinc/91/15/30/949911530.db2.gz UXOHYXWFCWDIMK-CMPLNLGQSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@H](NC(=O)CO[C@@H]1CCOC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575284640 949911516 /nfs/dbraw/zinc/91/15/16/949911516.db2.gz UXOHYXWFCWDIMK-CMPLNLGQSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@H](NC(=O)CO[C@H]1CCOC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575284641 949912130 /nfs/dbraw/zinc/91/21/30/949912130.db2.gz UXOHYXWFCWDIMK-JQWIXIFHSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@H](NC(=O)CO[C@H]1CCOC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575284641 949912113 /nfs/dbraw/zinc/91/21/13/949912113.db2.gz UXOHYXWFCWDIMK-JQWIXIFHSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CO[C@H]1CCOC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575284643 949911112 /nfs/dbraw/zinc/91/11/12/949911112.db2.gz UXOHYXWFCWDIMK-PWSUYJOCSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CO[C@H]1CCOC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575284643 949911086 /nfs/dbraw/zinc/91/10/86/949911086.db2.gz UXOHYXWFCWDIMK-PWSUYJOCSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CO[C@@H]1CCOC1)C1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575284645 949909984 /nfs/dbraw/zinc/90/99/84/949909984.db2.gz UXOHYXWFCWDIMK-ZYHUDNBSSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CO[C@@H]1CCOC1)C1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575284645 949909965 /nfs/dbraw/zinc/90/99/65/949909965.db2.gz UXOHYXWFCWDIMK-ZYHUDNBSSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575284665 949911710 /nfs/dbraw/zinc/91/17/10/949911710.db2.gz VFWDNOGRVTWZES-GHMZBOCLSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](NC(=O)COCc1nncn1C)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575284665 949911693 /nfs/dbraw/zinc/91/16/93/949911693.db2.gz VFWDNOGRVTWZES-GHMZBOCLSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575284666 949909533 /nfs/dbraw/zinc/90/95/33/949909533.db2.gz VFWDNOGRVTWZES-MNOVXSKESA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575284666 949909511 /nfs/dbraw/zinc/90/95/11/949909511.db2.gz VFWDNOGRVTWZES-MNOVXSKESA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575284667 949912084 /nfs/dbraw/zinc/91/20/84/949912084.db2.gz VFWDNOGRVTWZES-QWRGUYRKSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@H](NC(=O)COCc1nncn1C)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575284667 949912066 /nfs/dbraw/zinc/91/20/66/949912066.db2.gz VFWDNOGRVTWZES-QWRGUYRKSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575284668 949912537 /nfs/dbraw/zinc/91/25/37/949912537.db2.gz VFWDNOGRVTWZES-WDEREUQCSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)COCc1nncn1C ZINC001575284668 949912527 /nfs/dbraw/zinc/91/25/27/949912527.db2.gz VFWDNOGRVTWZES-WDEREUQCSA-N -1 3 386.420 -0.088 20 0 GBADHM C[C@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccnn1C ZINC001575284681 949916344 /nfs/dbraw/zinc/91/63/44/949916344.db2.gz VNPIKRFDQZMTLH-JTQLQIEISA-N -1 3 390.429 -0.244 20 0 GBADHM C[C@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccnn1C ZINC001575284681 949916315 /nfs/dbraw/zinc/91/63/15/949916315.db2.gz VNPIKRFDQZMTLH-JTQLQIEISA-N -1 3 390.429 -0.244 20 0 GBADHM C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccnn1C ZINC001575284683 949917606 /nfs/dbraw/zinc/91/76/06/949917606.db2.gz VNPIKRFDQZMTLH-SNVBAGLBSA-N -1 3 390.429 -0.244 20 0 GBADHM C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccnn1C ZINC001575284683 949917586 /nfs/dbraw/zinc/91/75/86/949917586.db2.gz VNPIKRFDQZMTLH-SNVBAGLBSA-N -1 3 390.429 -0.244 20 0 GBADHM C[C@H](NC(=O)CO[C@H]1CCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575284723 949915508 /nfs/dbraw/zinc/91/55/08/949915508.db2.gz WBTDBQKZDIGEIR-GWCFXTLKSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@H](NC(=O)CO[C@H]1CCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575284723 949915486 /nfs/dbraw/zinc/91/54/86/949915486.db2.gz WBTDBQKZDIGEIR-GWCFXTLKSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@H](NC(=O)CO[C@@H]1CCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575284724 949914970 /nfs/dbraw/zinc/91/49/70/949914970.db2.gz WBTDBQKZDIGEIR-GXFFZTMASA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@H](NC(=O)CO[C@@H]1CCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575284724 949914948 /nfs/dbraw/zinc/91/49/48/949914948.db2.gz WBTDBQKZDIGEIR-GXFFZTMASA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CO[C@H]1CCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575284725 949918742 /nfs/dbraw/zinc/91/87/42/949918742.db2.gz WBTDBQKZDIGEIR-MFKMUULPSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CO[C@H]1CCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575284725 949918706 /nfs/dbraw/zinc/91/87/06/949918706.db2.gz WBTDBQKZDIGEIR-MFKMUULPSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CO[C@@H]1CCOC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575284726 949915106 /nfs/dbraw/zinc/91/51/06/949915106.db2.gz WBTDBQKZDIGEIR-ZWNOBZJWSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)CO[C@@H]1CCOC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575284726 949915098 /nfs/dbraw/zinc/91/50/98/949915098.db2.gz WBTDBQKZDIGEIR-ZWNOBZJWSA-N -1 3 389.416 -0.423 20 0 GBADHM C[C@@H](NC(=O)COc1cnn(C)c1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575284744 949918338 /nfs/dbraw/zinc/91/83/38/949918338.db2.gz WJZSLUCNJKLPLK-NXEZZACHSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)COc1cnn(C)c1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575284744 949918319 /nfs/dbraw/zinc/91/83/19/949918319.db2.gz WJZSLUCNJKLPLK-NXEZZACHSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@H](NC(=O)COc1cnn(C)c1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575284745 949915203 /nfs/dbraw/zinc/91/52/03/949915203.db2.gz WJZSLUCNJKLPLK-UWVGGRQHSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@H](NC(=O)COc1cnn(C)c1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575284745 949915189 /nfs/dbraw/zinc/91/51/89/949915189.db2.gz WJZSLUCNJKLPLK-UWVGGRQHSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)COc1cnn(C)c1 ZINC001575284746 949917047 /nfs/dbraw/zinc/91/70/47/949917047.db2.gz WJZSLUCNJKLPLK-VHSXEESVSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)COc1cnn(C)c1 ZINC001575284746 949917031 /nfs/dbraw/zinc/91/70/31/949917031.db2.gz WJZSLUCNJKLPLK-VHSXEESVSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)COc1cnn(C)c1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575284747 949916785 /nfs/dbraw/zinc/91/67/85/949916785.db2.gz WJZSLUCNJKLPLK-ZJUUUORDSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)COc1cnn(C)c1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575284747 949916761 /nfs/dbraw/zinc/91/67/61/949916761.db2.gz WJZSLUCNJKLPLK-ZJUUUORDSA-N -1 3 387.404 -0.370 20 0 GBADHM C[C@@H](NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575284899 949923164 /nfs/dbraw/zinc/92/31/64/949923164.db2.gz KQUMYBGCQFDKGW-DVIHMLIVSA-N -1 3 384.444 -0.231 20 0 GBADHM C[C@H](NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C1CC1 ZINC001575284903 949923690 /nfs/dbraw/zinc/92/36/90/949923690.db2.gz KQUMYBGCQFDKGW-UCIVKPIZSA-N -1 3 384.444 -0.231 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575284977 949925931 /nfs/dbraw/zinc/92/59/31/949925931.db2.gz LEXRPWUHCJGJGG-GHMZBOCLSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575284977 949925919 /nfs/dbraw/zinc/92/59/19/949925919.db2.gz LEXRPWUHCJGJGG-GHMZBOCLSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575284981 949926110 /nfs/dbraw/zinc/92/61/10/949926110.db2.gz LEXRPWUHCJGJGG-MNOVXSKESA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](NC(=O)CN1CCOCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575284981 949926092 /nfs/dbraw/zinc/92/60/92/949926092.db2.gz LEXRPWUHCJGJGG-MNOVXSKESA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@H](NC(=O)CN1CCOCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575284983 949927580 /nfs/dbraw/zinc/92/75/80/949927580.db2.gz LEXRPWUHCJGJGG-QWRGUYRKSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@H](NC(=O)CN1CCOCC1)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575284983 949927559 /nfs/dbraw/zinc/92/75/59/949927559.db2.gz LEXRPWUHCJGJGG-QWRGUYRKSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CN1CCOCC1 ZINC001575284986 949926975 /nfs/dbraw/zinc/92/69/75/949926975.db2.gz LEXRPWUHCJGJGG-WDEREUQCSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CN1CCOCC1 ZINC001575284986 949926960 /nfs/dbraw/zinc/92/69/60/949926960.db2.gz LEXRPWUHCJGJGG-WDEREUQCSA-N -1 3 376.421 -0.850 20 0 GBADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575285048 949932187 /nfs/dbraw/zinc/93/21/87/949932187.db2.gz LRULGDONXMSPOW-NXEZZACHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575285048 949932168 /nfs/dbraw/zinc/93/21/68/949932168.db2.gz LRULGDONXMSPOW-NXEZZACHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@H](NC(=O)CN1CCCNC1=O)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575285049 949930622 /nfs/dbraw/zinc/93/06/22/949930622.db2.gz LRULGDONXMSPOW-UWVGGRQHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@H](NC(=O)CN1CCCNC1=O)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575285049 949930599 /nfs/dbraw/zinc/93/05/99/949930599.db2.gz LRULGDONXMSPOW-UWVGGRQHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001575285050 949932063 /nfs/dbraw/zinc/93/20/63/949932063.db2.gz LRULGDONXMSPOW-VHSXEESVSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001575285050 949932036 /nfs/dbraw/zinc/93/20/36/949932036.db2.gz LRULGDONXMSPOW-VHSXEESVSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575285051 949933446 /nfs/dbraw/zinc/93/34/46/949933446.db2.gz LRULGDONXMSPOW-ZJUUUORDSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575285051 949933431 /nfs/dbraw/zinc/93/34/31/949933431.db2.gz LRULGDONXMSPOW-ZJUUUORDSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001575285473 949945864 /nfs/dbraw/zinc/94/58/64/949945864.db2.gz NPFPJZNWMLSBPQ-MQBJUPHKSA-N -1 3 384.444 -0.231 20 0 GBADHM 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C[C@H](NC(=O)CCn1cncn1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575285782 949960220 /nfs/dbraw/zinc/96/02/20/949960220.db2.gz QOWBRBJBWNKZSK-JTQLQIEISA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)CCn1cncn1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575285784 949960601 /nfs/dbraw/zinc/96/06/01/949960601.db2.gz QOWBRBJBWNKZSK-SNVBAGLBSA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)CCn1cncn1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575285784 949960587 /nfs/dbraw/zinc/96/05/87/949960587.db2.gz QOWBRBJBWNKZSK-SNVBAGLBSA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575285856 949965413 /nfs/dbraw/zinc/96/54/13/949965413.db2.gz RNAYMQBCTJAXEC-NXEZZACHSA-N -1 3 391.411 -0.862 20 0 GBADHM C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575285856 949965394 /nfs/dbraw/zinc/96/53/94/949965394.db2.gz RNAYMQBCTJAXEC-NXEZZACHSA-N -1 3 391.411 -0.862 20 0 GBADHM C[C@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575285858 949961603 /nfs/dbraw/zinc/96/16/03/949961603.db2.gz RNAYMQBCTJAXEC-UWVGGRQHSA-N -1 3 391.411 -0.862 20 0 GBADHM C[C@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575285858 949961585 /nfs/dbraw/zinc/96/15/85/949961585.db2.gz RNAYMQBCTJAXEC-UWVGGRQHSA-N -1 3 391.411 -0.862 20 0 GBADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001575285860 949961830 /nfs/dbraw/zinc/96/18/30/949961830.db2.gz RNAYMQBCTJAXEC-VHSXEESVSA-N -1 3 391.411 -0.862 20 0 GBADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CN1CCNC(=O)C1 ZINC001575285860 949961817 /nfs/dbraw/zinc/96/18/17/949961817.db2.gz RNAYMQBCTJAXEC-VHSXEESVSA-N -1 3 391.411 -0.862 20 0 GBADHM C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575285862 949963364 /nfs/dbraw/zinc/96/33/64/949963364.db2.gz RNAYMQBCTJAXEC-ZJUUUORDSA-N -1 3 391.411 -0.862 20 0 GBADHM C[C@@H](NC(=O)CN1CCNC(=O)C1)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575285862 949963345 /nfs/dbraw/zinc/96/33/45/949963345.db2.gz RNAYMQBCTJAXEC-ZJUUUORDSA-N -1 3 391.411 -0.862 20 0 GBADHM C[C@@H](NC(=O)CNC(=O)C1CCC1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575285965 949964331 /nfs/dbraw/zinc/96/43/31/949964331.db2.gz RXLBKOOHFCVFMX-NXEZZACHSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](NC(=O)CNC(=O)C1CCC1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575285965 949964315 /nfs/dbraw/zinc/96/43/15/949964315.db2.gz RXLBKOOHFCVFMX-NXEZZACHSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@H](NC(=O)CNC(=O)C1CCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575285966 949964671 /nfs/dbraw/zinc/96/46/71/949964671.db2.gz RXLBKOOHFCVFMX-UWVGGRQHSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@H](NC(=O)CNC(=O)C1CCC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575285966 949964653 /nfs/dbraw/zinc/96/46/53/949964653.db2.gz RXLBKOOHFCVFMX-UWVGGRQHSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CNC(=O)C1CCC1 ZINC001575285967 949963251 /nfs/dbraw/zinc/96/32/51/949963251.db2.gz RXLBKOOHFCVFMX-VHSXEESVSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CNC(=O)C1CCC1 ZINC001575285967 949963240 /nfs/dbraw/zinc/96/32/40/949963240.db2.gz RXLBKOOHFCVFMX-VHSXEESVSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](NC(=O)CNC(=O)C1CCC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575285968 949965163 /nfs/dbraw/zinc/96/51/63/949965163.db2.gz RXLBKOOHFCVFMX-ZJUUUORDSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](NC(=O)CNC(=O)C1CCC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575285968 949965141 /nfs/dbraw/zinc/96/51/41/949965141.db2.gz RXLBKOOHFCVFMX-ZJUUUORDSA-N -1 3 388.432 -0.266 20 0 GBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575285969 949962338 /nfs/dbraw/zinc/96/23/38/949962338.db2.gz RXQKFRMHUPNJHM-NXEZZACHSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575285969 949962328 /nfs/dbraw/zinc/96/23/28/949962328.db2.gz RXQKFRMHUPNJHM-NXEZZACHSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575285970 949964275 /nfs/dbraw/zinc/96/42/75/949964275.db2.gz RXQKFRMHUPNJHM-UWVGGRQHSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575285970 949964258 /nfs/dbraw/zinc/96/42/58/949964258.db2.gz RXQKFRMHUPNJHM-UWVGGRQHSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575285971 949964046 /nfs/dbraw/zinc/96/40/46/949964046.db2.gz RXQKFRMHUPNJHM-VHSXEESVSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](NC(=O)CN1CCC(=O)NC1=O)[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575285971 949964028 /nfs/dbraw/zinc/96/40/28/949964028.db2.gz RXQKFRMHUPNJHM-VHSXEESVSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001575285972 949963613 /nfs/dbraw/zinc/96/36/13/949963613.db2.gz RXQKFRMHUPNJHM-ZJUUUORDSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)CN1CCC(=O)NC1=O ZINC001575285972 949963598 /nfs/dbraw/zinc/96/35/98/949963598.db2.gz RXQKFRMHUPNJHM-ZJUUUORDSA-N -1 3 387.404 -0.491 20 0 GBADHM C[C@@H](NC(=O)CN1C(=O)CNC1=O)[C@@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575286165 949967838 /nfs/dbraw/zinc/96/78/38/949967838.db2.gz TVVSULCLJSXOHD-HTQZYQBOSA-N -1 3 391.367 -0.742 20 0 GBADHM C[C@@H](NC(=O)CN1C(=O)CNC1=O)[C@@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575286165 949967823 /nfs/dbraw/zinc/96/78/23/949967823.db2.gz TVVSULCLJSXOHD-HTQZYQBOSA-N -1 3 391.367 -0.742 20 0 GBADHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001575286166 949970541 /nfs/dbraw/zinc/97/05/41/949970541.db2.gz TVVSULCLJSXOHD-JGVFFNPUSA-N -1 3 391.367 -0.742 20 0 GBADHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)[C@H](C)NC(=O)CN1C(=O)CNC1=O ZINC001575286166 949970515 /nfs/dbraw/zinc/97/05/15/949970515.db2.gz TVVSULCLJSXOHD-JGVFFNPUSA-N -1 3 391.367 -0.742 20 0 GBADHM C[C@@H](NC(=O)CN1C(=O)CNC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575286167 949968172 /nfs/dbraw/zinc/96/81/72/949968172.db2.gz TVVSULCLJSXOHD-SFYZADRCSA-N -1 3 391.367 -0.742 20 0 GBADHM C[C@@H](NC(=O)CN1C(=O)CNC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575286167 949968154 /nfs/dbraw/zinc/96/81/54/949968154.db2.gz TVVSULCLJSXOHD-SFYZADRCSA-N -1 3 391.367 -0.742 20 0 GBADHM C[C@H](NC(=O)CN1C(=O)CNC1=O)[C@H](C)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001575286168 949974743 /nfs/dbraw/zinc/97/47/43/949974743.db2.gz TVVSULCLJSXOHD-YUMQZZPRSA-N -1 3 391.367 -0.742 20 0 GBADHM C[C@H](NC(=O)CN1C(=O)CNC1=O)[C@H](C)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001575286168 949974720 /nfs/dbraw/zinc/97/47/20/949974720.db2.gz TVVSULCLJSXOHD-YUMQZZPRSA-N -1 3 391.367 -0.742 20 0 GBADHM C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575286185 949973259 /nfs/dbraw/zinc/97/32/59/949973259.db2.gz UIZNLJGXIFJFGN-NXEZZACHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575286185 949973242 /nfs/dbraw/zinc/97/32/42/949973242.db2.gz UIZNLJGXIFJFGN-NXEZZACHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575286186 949971984 /nfs/dbraw/zinc/97/19/84/949971984.db2.gz UIZNLJGXIFJFGN-UWVGGRQHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575286186 949971969 /nfs/dbraw/zinc/97/19/69/949971969.db2.gz UIZNLJGXIFJFGN-UWVGGRQHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CN(C)C(=O)C1CC1 ZINC001575286187 949975404 /nfs/dbraw/zinc/97/54/04/949975404.db2.gz UIZNLJGXIFJFGN-VHSXEESVSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CN(C)C(=O)C1CC1 ZINC001575286187 949975376 /nfs/dbraw/zinc/97/53/76/949975376.db2.gz UIZNLJGXIFJFGN-VHSXEESVSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575286188 949973214 /nfs/dbraw/zinc/97/32/14/949973214.db2.gz UIZNLJGXIFJFGN-ZJUUUORDSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575286188 949973200 /nfs/dbraw/zinc/97/32/00/949973200.db2.gz UIZNLJGXIFJFGN-ZJUUUORDSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)CN1CCc2c(sc(N)c2-c2nn[n-]n2)C1)C(=O)N(C)C ZINC001575286400 949978416 /nfs/dbraw/zinc/97/84/16/949978416.db2.gz VXOWJEFANQJMGP-MRVPVSSYSA-N -1 3 378.462 -0.539 20 0 GBADHM C[C@@H](NC(=O)CN1CCc2c(sc(N)c2-c2nnn[n-]2)C1)C(=O)N(C)C ZINC001575286400 949978399 /nfs/dbraw/zinc/97/83/99/949978399.db2.gz VXOWJEFANQJMGP-MRVPVSSYSA-N -1 3 378.462 -0.539 20 0 GBADHM C[C@H](NC(=O)CN1CCc2c(sc(N)c2-c2nn[n-]n2)C1)C(=O)N(C)C ZINC001575286401 949980889 /nfs/dbraw/zinc/98/08/89/949980889.db2.gz VXOWJEFANQJMGP-QMMMGPOBSA-N -1 3 378.462 -0.539 20 0 GBADHM C[C@H](NC(=O)CN1CCc2c(sc(N)c2-c2nnn[n-]2)C1)C(=O)N(C)C ZINC001575286401 949980869 /nfs/dbraw/zinc/98/08/69/949980869.db2.gz VXOWJEFANQJMGP-QMMMGPOBSA-N -1 3 378.462 -0.539 20 0 GBADHM C[C@H](NC(=O)CCn1ccnn1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575286422 949981563 /nfs/dbraw/zinc/98/15/63/949981563.db2.gz WHYWDZJNJBRCRT-JTQLQIEISA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@H](NC(=O)CCn1ccnn1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575286422 949981545 /nfs/dbraw/zinc/98/15/45/949981545.db2.gz WHYWDZJNJBRCRT-JTQLQIEISA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)CCn1ccnn1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575286426 949981054 /nfs/dbraw/zinc/98/10/54/949981054.db2.gz WHYWDZJNJBRCRT-SNVBAGLBSA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)CCn1ccnn1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575286426 949981033 /nfs/dbraw/zinc/98/10/33/949981033.db2.gz WHYWDZJNJBRCRT-SNVBAGLBSA-N -1 3 384.404 -0.547 20 0 GBADHM C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575286433 949978079 /nfs/dbraw/zinc/97/80/79/949978079.db2.gz WLMMVTKTRBBNNR-NXEZZACHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575286433 949978061 /nfs/dbraw/zinc/97/80/61/949978061.db2.gz WLMMVTKTRBBNNR-NXEZZACHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575286434 949979803 /nfs/dbraw/zinc/97/98/03/949979803.db2.gz WLMMVTKTRBBNNR-UWVGGRQHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575286434 949979793 /nfs/dbraw/zinc/97/97/93/949979793.db2.gz WLMMVTKTRBBNNR-UWVGGRQHSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CN(C)C(=O)C1CC1 ZINC001575286436 949980525 /nfs/dbraw/zinc/98/05/25/949980525.db2.gz WLMMVTKTRBBNNR-VHSXEESVSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CN(C)C(=O)C1CC1 ZINC001575286436 949980505 /nfs/dbraw/zinc/98/05/05/949980505.db2.gz WLMMVTKTRBBNNR-VHSXEESVSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575286437 949979626 /nfs/dbraw/zinc/97/96/26/949979626.db2.gz WLMMVTKTRBBNNR-ZJUUUORDSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)CN(C)C(=O)C1CC1)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575286437 949979609 /nfs/dbraw/zinc/97/96/09/949979609.db2.gz WLMMVTKTRBBNNR-ZJUUUORDSA-N -1 3 388.432 -0.314 20 0 GBADHM C[C@@H](NC(=O)CNC(=O)C1CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575286468 949982637 /nfs/dbraw/zinc/98/26/37/949982637.db2.gz WWDWKAPUTFVOGB-SECBINFHSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](NC(=O)CNC(=O)C1CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575286468 949982623 /nfs/dbraw/zinc/98/26/23/949982623.db2.gz WWDWKAPUTFVOGB-SECBINFHSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](NC(=O)CNC(=O)C1CC1)C1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575286469 949982946 /nfs/dbraw/zinc/98/29/46/949982946.db2.gz WWDWKAPUTFVOGB-VIFPVBQESA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H](NC(=O)CNC(=O)C1CC1)C1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575286469 949982938 /nfs/dbraw/zinc/98/29/38/949982938.db2.gz WWDWKAPUTFVOGB-VIFPVBQESA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575286507 949985380 /nfs/dbraw/zinc/98/53/80/949985380.db2.gz XICNSHROPQVXPZ-GHMZBOCLSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575286507 949985360 /nfs/dbraw/zinc/98/53/60/949985360.db2.gz XICNSHROPQVXPZ-GHMZBOCLSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575286509 949984421 /nfs/dbraw/zinc/98/44/21/949984421.db2.gz XICNSHROPQVXPZ-MNOVXSKESA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575286509 949984397 /nfs/dbraw/zinc/98/43/97/949984397.db2.gz XICNSHROPQVXPZ-MNOVXSKESA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001575286510 949984939 /nfs/dbraw/zinc/98/49/39/949984939.db2.gz XICNSHROPQVXPZ-QWRGUYRKSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001575286510 949984917 /nfs/dbraw/zinc/98/49/17/949984917.db2.gz XICNSHROPQVXPZ-QWRGUYRKSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nn[n-]n1)[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001575286512 949982988 /nfs/dbraw/zinc/98/29/88/949982988.db2.gz XICNSHROPQVXPZ-WDEREUQCSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](Nc1ncccc1-c1nnn[n-]1)[C@H](C)NC(=O)CCn1ncn(C)c1=O ZINC001575286512 949982968 /nfs/dbraw/zinc/98/29/68/949982968.db2.gz XICNSHROPQVXPZ-WDEREUQCSA-N -1 3 386.420 -0.448 20 0 GBADHM C[C@@H](NC(=O)CN1CCCCC1=O)[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575286709 949988278 /nfs/dbraw/zinc/98/82/78/949988278.db2.gz XTPZVPDLVUVHMJ-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CN1CCCCC1=O)[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575286709 949988258 /nfs/dbraw/zinc/98/82/58/949988258.db2.gz XTPZVPDLVUVHMJ-GHMZBOCLSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CN1CCCCC1=O)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575286710 949991649 /nfs/dbraw/zinc/99/16/49/949991649.db2.gz XTPZVPDLVUVHMJ-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CN1CCCCC1=O)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575286710 949991633 /nfs/dbraw/zinc/99/16/33/949991633.db2.gz XTPZVPDLVUVHMJ-MNOVXSKESA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](NC(=O)CN1CCCCC1=O)[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575286711 949987921 /nfs/dbraw/zinc/98/79/21/949987921.db2.gz XTPZVPDLVUVHMJ-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@H](NC(=O)CN1CCCCC1=O)[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575286711 949987905 /nfs/dbraw/zinc/98/79/05/949987905.db2.gz XTPZVPDLVUVHMJ-QWRGUYRKSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H](C)NC(=O)CN1CCCCC1=O ZINC001575286712 949989949 /nfs/dbraw/zinc/98/99/49/949989949.db2.gz XTPZVPDLVUVHMJ-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H](C)NC(=O)CN1CCCCC1=O ZINC001575286712 949989929 /nfs/dbraw/zinc/98/99/29/949989929.db2.gz XTPZVPDLVUVHMJ-WDEREUQCSA-N -1 3 388.432 -0.170 20 0 GBADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575286755 949990425 /nfs/dbraw/zinc/99/04/25/949990425.db2.gz YOKNODXZSWFEAV-NXEZZACHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575286755 949990403 /nfs/dbraw/zinc/99/04/03/949990403.db2.gz YOKNODXZSWFEAV-NXEZZACHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@H](NC(=O)CN1CCCNC1=O)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575286756 949987343 /nfs/dbraw/zinc/98/73/43/949987343.db2.gz YOKNODXZSWFEAV-UWVGGRQHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@H](NC(=O)CN1CCCNC1=O)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575286756 949987316 /nfs/dbraw/zinc/98/73/16/949987316.db2.gz YOKNODXZSWFEAV-UWVGGRQHSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001575286757 949991314 /nfs/dbraw/zinc/99/13/14/949991314.db2.gz YOKNODXZSWFEAV-VHSXEESVSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](C)NC(=O)CN1CCCNC1=O ZINC001575286757 949991293 /nfs/dbraw/zinc/99/12/93/949991293.db2.gz YOKNODXZSWFEAV-VHSXEESVSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575286758 949989499 /nfs/dbraw/zinc/98/94/99/949989499.db2.gz YOKNODXZSWFEAV-ZJUUUORDSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](NC(=O)CN1CCCNC1=O)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575286758 949989478 /nfs/dbraw/zinc/98/94/78/949989478.db2.gz YOKNODXZSWFEAV-ZJUUUORDSA-N -1 3 389.420 -0.767 20 0 GBADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001575501287 949005476 /nfs/dbraw/zinc/00/54/76/949005476.db2.gz FISUEVFZKNMLRW-KCPJHIHWSA-N -1 3 396.411 -0.210 20 0 GBADHM C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001575501287 949005454 /nfs/dbraw/zinc/00/54/54/949005454.db2.gz FISUEVFZKNMLRW-KCPJHIHWSA-N -1 3 396.411 -0.210 20 0 GBADHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1O ZINC001575501289 949008120 /nfs/dbraw/zinc/00/81/20/949008120.db2.gz FISUEVFZKNMLRW-NILFDRSVSA-N -1 3 396.411 -0.210 20 0 GBADHM C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1O ZINC001575501289 949008094 /nfs/dbraw/zinc/00/80/94/949008094.db2.gz FISUEVFZKNMLRW-NILFDRSVSA-N -1 3 396.411 -0.210 20 0 GBADHM C[C@H](Oc1cccnc1)C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575501333 949009432 /nfs/dbraw/zinc/00/94/32/949009432.db2.gz GLDRZKQAMLEZCL-JTQLQIEISA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@H](Oc1cccnc1)C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575501333 949009354 /nfs/dbraw/zinc/00/93/54/949009354.db2.gz GLDRZKQAMLEZCL-JTQLQIEISA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@@H](Oc1cccnc1)C(=O)N1CC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575501334 949007724 /nfs/dbraw/zinc/00/77/24/949007724.db2.gz GLDRZKQAMLEZCL-SNVBAGLBSA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@@H](Oc1cccnc1)C(=O)N1CC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575501334 949007708 /nfs/dbraw/zinc/00/77/08/949007708.db2.gz GLDRZKQAMLEZCL-SNVBAGLBSA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@H](Oc1cccnc1)C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575501462 949012263 /nfs/dbraw/zinc/01/22/63/949012263.db2.gz HUTGXOXJGUBMIB-JTQLQIEISA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@H](Oc1cccnc1)C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575501462 949012254 /nfs/dbraw/zinc/01/22/54/949012254.db2.gz HUTGXOXJGUBMIB-JTQLQIEISA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@@H](Oc1cccnc1)C(=O)NC1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575501465 949014381 /nfs/dbraw/zinc/01/43/81/949014381.db2.gz HUTGXOXJGUBMIB-SNVBAGLBSA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@@H](Oc1cccnc1)C(=O)NC1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575501465 949014364 /nfs/dbraw/zinc/01/43/64/949014364.db2.gz HUTGXOXJGUBMIB-SNVBAGLBSA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@H](Oc1cccnc1)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575502979 949032805 /nfs/dbraw/zinc/03/28/05/949032805.db2.gz MGPXGUOQAGKSLP-JTQLQIEISA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@H](Oc1cccnc1)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575502979 949032782 /nfs/dbraw/zinc/03/27/82/949032782.db2.gz MGPXGUOQAGKSLP-JTQLQIEISA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@@H](Oc1cccnc1)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575502981 949030749 /nfs/dbraw/zinc/03/07/49/949030749.db2.gz MGPXGUOQAGKSLP-SNVBAGLBSA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@@H](Oc1cccnc1)C(=O)N1CC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575502981 949030728 /nfs/dbraw/zinc/03/07/28/949030728.db2.gz MGPXGUOQAGKSLP-SNVBAGLBSA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@H](Oc1cccnc1)C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575504420 949067966 /nfs/dbraw/zinc/06/79/66/949067966.db2.gz UBBGHNHXDBKOSW-JTQLQIEISA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@H](Oc1cccnc1)C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575504420 949067945 /nfs/dbraw/zinc/06/79/45/949067945.db2.gz UBBGHNHXDBKOSW-JTQLQIEISA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@@H](Oc1cccnc1)C(=O)NC1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575504421 949066433 /nfs/dbraw/zinc/06/64/33/949066433.db2.gz UBBGHNHXDBKOSW-SNVBAGLBSA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@@H](Oc1cccnc1)C(=O)NC1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575504421 949066410 /nfs/dbraw/zinc/06/64/10/949066410.db2.gz UBBGHNHXDBKOSW-SNVBAGLBSA-N -1 3 382.384 -0.002 20 0 GBADHM C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001575504851 949092238 /nfs/dbraw/zinc/09/22/38/949092238.db2.gz VNPHSBZSWSPORD-GHMZBOCLSA-N -1 3 384.404 -0.423 20 0 GBADHM C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001575504851 949092217 /nfs/dbraw/zinc/09/22/17/949092217.db2.gz VNPHSBZSWSPORD-GHMZBOCLSA-N -1 3 384.404 -0.423 20 0 GBADHM C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001575504852 949094390 /nfs/dbraw/zinc/09/43/90/949094390.db2.gz VNPHSBZSWSPORD-MNOVXSKESA-N -1 3 384.404 -0.423 20 0 GBADHM C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001575504852 949094377 /nfs/dbraw/zinc/09/43/77/949094377.db2.gz VNPHSBZSWSPORD-MNOVXSKESA-N -1 3 384.404 -0.423 20 0 GBADHM C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001575504853 949091624 /nfs/dbraw/zinc/09/16/24/949091624.db2.gz VNPHSBZSWSPORD-QWRGUYRKSA-N -1 3 384.404 -0.423 20 0 GBADHM C[C@H](NC(=O)Cn1cnnn1)C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001575504853 949091607 /nfs/dbraw/zinc/09/16/07/949091607.db2.gz VNPHSBZSWSPORD-QWRGUYRKSA-N -1 3 384.404 -0.423 20 0 GBADHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001575504854 949093570 /nfs/dbraw/zinc/09/35/70/949093570.db2.gz VNPHSBZSWSPORD-WDEREUQCSA-N -1 3 384.404 -0.423 20 0 GBADHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001575504854 949093556 /nfs/dbraw/zinc/09/35/56/949093556.db2.gz VNPHSBZSWSPORD-WDEREUQCSA-N -1 3 384.404 -0.423 20 0 GBADHM C[C@H](c1cnccn1)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575514504 949168840 /nfs/dbraw/zinc/16/88/40/949168840.db2.gz CKNJZWBBUYXBCJ-LLVKDONJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1cnccn1)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575514504 949168826 /nfs/dbraw/zinc/16/88/26/949168826.db2.gz CKNJZWBBUYXBCJ-LLVKDONJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1cnccn1)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575514511 949168305 /nfs/dbraw/zinc/16/83/05/949168305.db2.gz CKNJZWBBUYXBCJ-NSHDSACASA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1cnccn1)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575514511 949168294 /nfs/dbraw/zinc/16/82/94/949168294.db2.gz CKNJZWBBUYXBCJ-NSHDSACASA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1cnccn1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575515054 949180554 /nfs/dbraw/zinc/18/05/54/949180554.db2.gz FOGLWXAJRDOCLI-LLVKDONJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1cnccn1)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575515054 949180543 /nfs/dbraw/zinc/18/05/43/949180543.db2.gz FOGLWXAJRDOCLI-LLVKDONJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1cnccn1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575515056 949181026 /nfs/dbraw/zinc/18/10/26/949181026.db2.gz FOGLWXAJRDOCLI-NSHDSACASA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1cnccn1)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575515056 949181020 /nfs/dbraw/zinc/18/10/20/949181020.db2.gz FOGLWXAJRDOCLI-NSHDSACASA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1cnccn1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575515361 949185918 /nfs/dbraw/zinc/18/59/18/949185918.db2.gz IAUSAZGHISAPKL-LLVKDONJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1cnccn1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575515361 949185904 /nfs/dbraw/zinc/18/59/04/949185904.db2.gz IAUSAZGHISAPKL-LLVKDONJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1cnccn1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575515363 949184890 /nfs/dbraw/zinc/18/48/90/949184890.db2.gz IAUSAZGHISAPKL-NSHDSACASA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1cnccn1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575515363 949184878 /nfs/dbraw/zinc/18/48/78/949184878.db2.gz IAUSAZGHISAPKL-NSHDSACASA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1nncn1C)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575520924 949245825 /nfs/dbraw/zinc/24/58/25/949245825.db2.gz AHYPTEQXXXWVEH-HWPZZCPQSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575520924 949245813 /nfs/dbraw/zinc/24/58/13/949245813.db2.gz AHYPTEQXXXWVEH-HWPZZCPQSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575520925 949247220 /nfs/dbraw/zinc/24/72/20/949247220.db2.gz AHYPTEQXXXWVEH-MGPLVRAMSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575520925 949247197 /nfs/dbraw/zinc/24/71/97/949247197.db2.gz AHYPTEQXXXWVEH-MGPLVRAMSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575520926 949247426 /nfs/dbraw/zinc/24/74/26/949247426.db2.gz AHYPTEQXXXWVEH-QFYYESIMSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575520926 949247403 /nfs/dbraw/zinc/24/74/03/949247403.db2.gz AHYPTEQXXXWVEH-QFYYESIMSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575520927 949243199 /nfs/dbraw/zinc/24/31/99/949243199.db2.gz AHYPTEQXXXWVEH-QLJPJBMISA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575520927 949243179 /nfs/dbraw/zinc/24/31/79/949243179.db2.gz AHYPTEQXXXWVEH-QLJPJBMISA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575520928 949248111 /nfs/dbraw/zinc/24/81/11/949248111.db2.gz AIJVSUDLEMJVTM-HWPZZCPQSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575520928 949248091 /nfs/dbraw/zinc/24/80/91/949248091.db2.gz AIJVSUDLEMJVTM-HWPZZCPQSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575520929 949245466 /nfs/dbraw/zinc/24/54/66/949245466.db2.gz AIJVSUDLEMJVTM-MGPLVRAMSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575520929 949245444 /nfs/dbraw/zinc/24/54/44/949245444.db2.gz AIJVSUDLEMJVTM-MGPLVRAMSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575520930 949247101 /nfs/dbraw/zinc/24/71/01/949247101.db2.gz AIJVSUDLEMJVTM-QFYYESIMSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575520930 949247075 /nfs/dbraw/zinc/24/70/75/949247075.db2.gz AIJVSUDLEMJVTM-QFYYESIMSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575520931 949246912 /nfs/dbraw/zinc/24/69/12/949246912.db2.gz AIJVSUDLEMJVTM-QLJPJBMISA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575520931 949246888 /nfs/dbraw/zinc/24/68/88/949246888.db2.gz AIJVSUDLEMJVTM-QLJPJBMISA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575520984 949251372 /nfs/dbraw/zinc/25/13/72/949251372.db2.gz BUERJHKLYBKISD-GHMZBOCLSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@H](c1nncn1C)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575520984 949251353 /nfs/dbraw/zinc/25/13/53/949251353.db2.gz BUERJHKLYBKISD-GHMZBOCLSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@H](c1nncn1C)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575520985 949252061 /nfs/dbraw/zinc/25/20/61/949252061.db2.gz BUERJHKLYBKISD-MNOVXSKESA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@H](c1nncn1C)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575520985 949252041 /nfs/dbraw/zinc/25/20/41/949252041.db2.gz BUERJHKLYBKISD-MNOVXSKESA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@@H](c1nncn1C)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575520986 949251935 /nfs/dbraw/zinc/25/19/35/949251935.db2.gz BUERJHKLYBKISD-QWRGUYRKSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@@H](c1nncn1C)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575520986 949251918 /nfs/dbraw/zinc/25/19/18/949251918.db2.gz BUERJHKLYBKISD-QWRGUYRKSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@@H](c1nncn1C)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575520987 949250924 /nfs/dbraw/zinc/25/09/24/949250924.db2.gz BUERJHKLYBKISD-WDEREUQCSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@@H](c1nncn1C)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575520987 949250904 /nfs/dbraw/zinc/25/09/04/949250904.db2.gz BUERJHKLYBKISD-WDEREUQCSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@@H](c1nncn1C)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521002 949250006 /nfs/dbraw/zinc/25/00/06/949250006.db2.gz CDEMMXMTGGZFSU-JTQLQIEISA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521002 949249987 /nfs/dbraw/zinc/24/99/87/949249987.db2.gz CDEMMXMTGGZFSU-JTQLQIEISA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521003 949252962 /nfs/dbraw/zinc/25/29/62/949252962.db2.gz CDEMMXMTGGZFSU-SNVBAGLBSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521003 949252940 /nfs/dbraw/zinc/25/29/40/949252940.db2.gz CDEMMXMTGGZFSU-SNVBAGLBSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1csnn1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575521142 949250215 /nfs/dbraw/zinc/25/02/15/949250215.db2.gz CVWKKCOOPYDIAJ-HNBZJPLGSA-N -1 3 375.418 -0.418 20 0 GBADHM C[C@@H](c1csnn1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575521142 949250192 /nfs/dbraw/zinc/25/01/92/949250192.db2.gz CVWKKCOOPYDIAJ-HNBZJPLGSA-N -1 3 375.418 -0.418 20 0 GBADHM C[C@H](c1csnn1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575521143 949251775 /nfs/dbraw/zinc/25/17/75/949251775.db2.gz CVWKKCOOPYDIAJ-NYRNMGCKSA-N -1 3 375.418 -0.418 20 0 GBADHM C[C@H](c1csnn1)N1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575521143 949251758 /nfs/dbraw/zinc/25/17/58/949251758.db2.gz CVWKKCOOPYDIAJ-NYRNMGCKSA-N -1 3 375.418 -0.418 20 0 GBADHM C[C@H](c1nncn1C)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521150 949250453 /nfs/dbraw/zinc/25/04/53/949250453.db2.gz CZDDUPQFFRZZCF-HWPZZCPQSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521150 949250430 /nfs/dbraw/zinc/25/04/30/949250430.db2.gz CZDDUPQFFRZZCF-HWPZZCPQSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521151 949252629 /nfs/dbraw/zinc/25/26/29/949252629.db2.gz CZDDUPQFFRZZCF-MGPLVRAMSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521151 949252607 /nfs/dbraw/zinc/25/26/07/949252607.db2.gz CZDDUPQFFRZZCF-MGPLVRAMSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521152 949253795 /nfs/dbraw/zinc/25/37/95/949253795.db2.gz CZDDUPQFFRZZCF-QFYYESIMSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521152 949253770 /nfs/dbraw/zinc/25/37/70/949253770.db2.gz CZDDUPQFFRZZCF-QFYYESIMSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521154 949254673 /nfs/dbraw/zinc/25/46/73/949254673.db2.gz CZDDUPQFFRZZCF-QLJPJBMISA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521154 949254660 /nfs/dbraw/zinc/25/46/60/949254660.db2.gz CZDDUPQFFRZZCF-QLJPJBMISA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1csnn1)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575521156 949253985 /nfs/dbraw/zinc/25/39/85/949253985.db2.gz CZHAOOGWNZCRRI-SECBINFHSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@H](c1csnn1)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575521156 949253961 /nfs/dbraw/zinc/25/39/61/949253961.db2.gz CZHAOOGWNZCRRI-SECBINFHSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575521159 949251530 /nfs/dbraw/zinc/25/15/30/949251530.db2.gz CZHAOOGWNZCRRI-VIFPVBQESA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575521159 949251511 /nfs/dbraw/zinc/25/15/11/949251511.db2.gz CZHAOOGWNZCRRI-VIFPVBQESA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@H](c1csnn1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575521168 949250855 /nfs/dbraw/zinc/25/08/55/949250855.db2.gz DBZIFCCVKCGOTE-SECBINFHSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@H](c1csnn1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575521168 949250837 /nfs/dbraw/zinc/25/08/37/949250837.db2.gz DBZIFCCVKCGOTE-SECBINFHSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575521169 949251883 /nfs/dbraw/zinc/25/18/83/949251883.db2.gz DBZIFCCVKCGOTE-VIFPVBQESA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575521169 949251865 /nfs/dbraw/zinc/25/18/65/949251865.db2.gz DBZIFCCVKCGOTE-VIFPVBQESA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1nncn1C)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575521266 949257901 /nfs/dbraw/zinc/25/79/01/949257901.db2.gz FFNPEAJJDJJMBL-JTQLQIEISA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575521266 949257884 /nfs/dbraw/zinc/25/78/84/949257884.db2.gz FFNPEAJJDJJMBL-JTQLQIEISA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575521267 949257958 /nfs/dbraw/zinc/25/79/58/949257958.db2.gz FFNPEAJJDJJMBL-SNVBAGLBSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575521267 949257942 /nfs/dbraw/zinc/25/79/42/949257942.db2.gz FFNPEAJJDJJMBL-SNVBAGLBSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521287 949256689 /nfs/dbraw/zinc/25/66/89/949256689.db2.gz FKFOPDJODZGFRI-GHMZBOCLSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@H](c1nncn1C)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521287 949256668 /nfs/dbraw/zinc/25/66/68/949256668.db2.gz FKFOPDJODZGFRI-GHMZBOCLSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@H](c1nncn1C)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521289 949255994 /nfs/dbraw/zinc/25/59/94/949255994.db2.gz FKFOPDJODZGFRI-MNOVXSKESA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@H](c1nncn1C)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521289 949255972 /nfs/dbraw/zinc/25/59/72/949255972.db2.gz FKFOPDJODZGFRI-MNOVXSKESA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@@H](c1nncn1C)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521291 949259561 /nfs/dbraw/zinc/25/95/61/949259561.db2.gz FKFOPDJODZGFRI-QWRGUYRKSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@@H](c1nncn1C)N(C)C[C@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521291 949259533 /nfs/dbraw/zinc/25/95/33/949259533.db2.gz FKFOPDJODZGFRI-QWRGUYRKSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@@H](c1nncn1C)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575521292 949255238 /nfs/dbraw/zinc/25/52/38/949255238.db2.gz FKFOPDJODZGFRI-WDEREUQCSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@@H](c1nncn1C)N(C)C[C@@H](O)CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575521292 949255215 /nfs/dbraw/zinc/25/52/15/949255215.db2.gz FKFOPDJODZGFRI-WDEREUQCSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@@H](c1nncn1C)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575521517 949256626 /nfs/dbraw/zinc/25/66/26/949256626.db2.gz GCDVKQJNUBNJNE-FIQHERPVSA-N -1 3 382.432 -0.008 20 0 GBADHM C[C@H](c1nncn1C)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575521518 949256751 /nfs/dbraw/zinc/25/67/51/949256751.db2.gz GCDVKQJNUBNJNE-KKOKHZNYSA-N -1 3 382.432 -0.008 20 0 GBADHM C[C@H](c1ncccn1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521606 949261829 /nfs/dbraw/zinc/26/18/29/949261829.db2.gz HSFGWBSJBUROSQ-LLVKDONJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1ncccn1)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521606 949261807 /nfs/dbraw/zinc/26/18/07/949261807.db2.gz HSFGWBSJBUROSQ-LLVKDONJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1ncccn1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575521607 949264122 /nfs/dbraw/zinc/26/41/22/949264122.db2.gz HSFGWBSJBUROSQ-NSHDSACASA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1ncccn1)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575521607 949264105 /nfs/dbraw/zinc/26/41/05/949264105.db2.gz HSFGWBSJBUROSQ-NSHDSACASA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1nncn1C)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575522374 949273140 /nfs/dbraw/zinc/27/31/40/949273140.db2.gz KPVUJPKWPUWFIC-JHEVNIALSA-N -1 3 382.432 -0.008 20 0 GBADHM C[C@H](c1nncn1C)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575522374 949273126 /nfs/dbraw/zinc/27/31/26/949273126.db2.gz KPVUJPKWPUWFIC-JHEVNIALSA-N -1 3 382.432 -0.008 20 0 GBADHM C[C@@H](c1nncn1C)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575522376 949276389 /nfs/dbraw/zinc/27/63/89/949276389.db2.gz KPVUJPKWPUWFIC-XYJRDEOASA-N -1 3 382.432 -0.008 20 0 GBADHM C[C@@H](c1nncn1C)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575522376 949276375 /nfs/dbraw/zinc/27/63/75/949276375.db2.gz KPVUJPKWPUWFIC-XYJRDEOASA-N -1 3 382.432 -0.008 20 0 GBADHM C[C@@H](c1ncccn1)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522392 949274163 /nfs/dbraw/zinc/27/41/63/949274163.db2.gz LAVWPROUEZPGJS-APPDUMDISA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1ncccn1)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522392 949274138 /nfs/dbraw/zinc/27/41/38/949274138.db2.gz LAVWPROUEZPGJS-APPDUMDISA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1ncccn1)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522395 949275258 /nfs/dbraw/zinc/27/52/58/949275258.db2.gz LAVWPROUEZPGJS-DIFFPNOSSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1ncccn1)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522395 949275244 /nfs/dbraw/zinc/27/52/44/949275244.db2.gz LAVWPROUEZPGJS-DIFFPNOSSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1ncccn1)N1CC[C@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522398 949274889 /nfs/dbraw/zinc/27/48/89/949274889.db2.gz LAVWPROUEZPGJS-GTNSWQLSSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1ncccn1)N1CC[C@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522398 949274868 /nfs/dbraw/zinc/27/48/68/949274868.db2.gz LAVWPROUEZPGJS-GTNSWQLSSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1ncccn1)N1CC[C@@](O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522401 949272893 /nfs/dbraw/zinc/27/28/93/949272893.db2.gz LAVWPROUEZPGJS-PIGZYNQJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1ncccn1)N1CC[C@@](O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522401 949272872 /nfs/dbraw/zinc/27/28/72/949272872.db2.gz LAVWPROUEZPGJS-PIGZYNQJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1ncccn1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575522434 949274378 /nfs/dbraw/zinc/27/43/78/949274378.db2.gz LNZPYTPAFAVXAC-LLVKDONJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1ncccn1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575522434 949274361 /nfs/dbraw/zinc/27/43/61/949274361.db2.gz LNZPYTPAFAVXAC-LLVKDONJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1ncccn1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575522436 949274048 /nfs/dbraw/zinc/27/40/48/949274048.db2.gz LNZPYTPAFAVXAC-NSHDSACASA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1ncccn1)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575522436 949274030 /nfs/dbraw/zinc/27/40/30/949274030.db2.gz LNZPYTPAFAVXAC-NSHDSACASA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1csnn1)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522870 949279143 /nfs/dbraw/zinc/27/91/43/949279143.db2.gz NDRTZCWJIHVEKO-MRVPVSSYSA-N -1 3 375.418 -0.416 20 0 GBADHM C[C@H](c1csnn1)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522870 949279123 /nfs/dbraw/zinc/27/91/23/949279123.db2.gz NDRTZCWJIHVEKO-MRVPVSSYSA-N -1 3 375.418 -0.416 20 0 GBADHM C[C@@H](c1csnn1)N1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575522885 949281455 /nfs/dbraw/zinc/28/14/55/949281455.db2.gz NDRTZCWJIHVEKO-QMMMGPOBSA-N -1 3 375.418 -0.416 20 0 GBADHM C[C@@H](c1csnn1)N1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575522885 949281433 /nfs/dbraw/zinc/28/14/33/949281433.db2.gz NDRTZCWJIHVEKO-QMMMGPOBSA-N -1 3 375.418 -0.416 20 0 GBADHM C[C@H](c1csnn1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575522916 949280088 /nfs/dbraw/zinc/28/00/88/949280088.db2.gz NJENTXCEHFCIJF-SECBINFHSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@H](c1csnn1)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575522916 949280067 /nfs/dbraw/zinc/28/00/67/949280067.db2.gz NJENTXCEHFCIJF-SECBINFHSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC(CCO)(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575522918 949283776 /nfs/dbraw/zinc/28/37/76/949283776.db2.gz NJENTXCEHFCIJF-VIFPVBQESA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC(CCO)(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575522918 949283754 /nfs/dbraw/zinc/28/37/54/949283754.db2.gz NJENTXCEHFCIJF-VIFPVBQESA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@H](c1csnn1)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575523078 949290000 /nfs/dbraw/zinc/29/00/00/949290000.db2.gz PEOUECRIRARKMH-MRVPVSSYSA-N -1 3 375.418 -0.416 20 0 GBADHM C[C@H](c1csnn1)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575523078 949289978 /nfs/dbraw/zinc/28/99/78/949289978.db2.gz PEOUECRIRARKMH-MRVPVSSYSA-N -1 3 375.418 -0.416 20 0 GBADHM C[C@@H](c1csnn1)N1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575523079 949286766 /nfs/dbraw/zinc/28/67/66/949286766.db2.gz PEOUECRIRARKMH-QMMMGPOBSA-N -1 3 375.418 -0.416 20 0 GBADHM C[C@@H](c1csnn1)N1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575523079 949286745 /nfs/dbraw/zinc/28/67/45/949286745.db2.gz PEOUECRIRARKMH-QMMMGPOBSA-N -1 3 375.418 -0.416 20 0 GBADHM C[C@@H](c1nnnn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001575523364 949285888 /nfs/dbraw/zinc/28/58/88/949285888.db2.gz AEFBVJMUDZSEHY-FQPOAREZSA-N -1 3 383.420 -0.185 20 0 GBADHM C[C@@H](c1nnnn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001575523364 949285868 /nfs/dbraw/zinc/28/58/68/949285868.db2.gz AEFBVJMUDZSEHY-FQPOAREZSA-N -1 3 383.420 -0.185 20 0 GBADHM C[C@H](c1nnnn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nn[n-]n3)[nH]1)C2 ZINC001575523365 949290262 /nfs/dbraw/zinc/29/02/62/949290262.db2.gz AEFBVJMUDZSEHY-PNZRWIHMSA-N -1 3 383.420 -0.185 20 0 GBADHM C[C@H](c1nnnn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(-c3nnn[n-]3)[nH]1)C2 ZINC001575523365 949290247 /nfs/dbraw/zinc/29/02/47/949290247.db2.gz AEFBVJMUDZSEHY-PNZRWIHMSA-N -1 3 383.420 -0.185 20 0 GBADHM C[C@H](c1nnnn1C1CC1)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575523386 949291484 /nfs/dbraw/zinc/29/14/84/949291484.db2.gz AIXSNAZXGOJTMS-SECBINFHSA-N -1 3 383.420 -0.061 20 0 GBADHM C[C@H](c1nnnn1C1CC1)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575523386 949291463 /nfs/dbraw/zinc/29/14/63/949291463.db2.gz AIXSNAZXGOJTMS-SECBINFHSA-N -1 3 383.420 -0.061 20 0 GBADHM C[C@@H](c1nnnn1C1CC1)N1CC(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575523388 949294698 /nfs/dbraw/zinc/29/46/98/949294698.db2.gz AIXSNAZXGOJTMS-VIFPVBQESA-N -1 3 383.420 -0.061 20 0 GBADHM C[C@@H](c1nnnn1C1CC1)N1CC(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575523388 949294678 /nfs/dbraw/zinc/29/46/78/949294678.db2.gz AIXSNAZXGOJTMS-VIFPVBQESA-N -1 3 383.420 -0.061 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575523487 949294223 /nfs/dbraw/zinc/29/42/23/949294223.db2.gz BLXZCWKOSIBXOT-INIZCTEOSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575523487 949294205 /nfs/dbraw/zinc/29/42/05/949294205.db2.gz BLXZCWKOSIBXOT-INIZCTEOSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575523488 949297871 /nfs/dbraw/zinc/29/78/71/949297871.db2.gz BLXZCWKOSIBXOT-MRXNPFEDSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575523488 949297838 /nfs/dbraw/zinc/29/78/38/949297838.db2.gz BLXZCWKOSIBXOT-MRXNPFEDSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@H](c1nncn1C)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575523511 949297135 /nfs/dbraw/zinc/29/71/35/949297135.db2.gz QNVTUAGYGNVNPJ-JTQLQIEISA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@@H](c1nncn1C)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575523511 949297115 /nfs/dbraw/zinc/29/71/15/949297115.db2.gz QNVTUAGYGNVNPJ-JTQLQIEISA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575523514 949298663 /nfs/dbraw/zinc/29/86/63/949298663.db2.gz QNVTUAGYGNVNPJ-SNVBAGLBSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nncn1C)N1CC(CCO)(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575523514 949298642 /nfs/dbraw/zinc/29/86/42/949298642.db2.gz QNVTUAGYGNVNPJ-SNVBAGLBSA-N -1 3 386.420 -0.749 20 0 GBADHM C[C@H](c1nnnn1C)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575523529 949296736 /nfs/dbraw/zinc/29/67/36/949296736.db2.gz BWQHCXNYJIOWJK-GIPNMCIBSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@H](c1nnnn1C)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575523529 949296707 /nfs/dbraw/zinc/29/67/07/949296707.db2.gz BWQHCXNYJIOWJK-GIPNMCIBSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@@H](c1nnnn1C)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575523532 949299173 /nfs/dbraw/zinc/29/91/73/949299173.db2.gz BWQHCXNYJIOWJK-OPQQBVKSSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@@H](c1nnnn1C)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575523532 949299147 /nfs/dbraw/zinc/29/91/47/949299147.db2.gz BWQHCXNYJIOWJK-OPQQBVKSSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001575523547 949295217 /nfs/dbraw/zinc/29/52/17/949295217.db2.gz CCHTVJJTGFKWIA-CKYFFXLPSA-N -1 3 385.436 -0.223 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC001575523549 949296471 /nfs/dbraw/zinc/29/64/71/949296471.db2.gz CCHTVJJTGFKWIA-JFGNBEQYSA-N -1 3 385.436 -0.223 20 0 GBADHM C[C@@H](c1nncn1C)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575523586 949296667 /nfs/dbraw/zinc/29/66/67/949296667.db2.gz RBBMJFQZGBHTRQ-CMPLNLGQSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@@H](c1nncn1C)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575523586 949296643 /nfs/dbraw/zinc/29/66/43/949296643.db2.gz RBBMJFQZGBHTRQ-CMPLNLGQSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@@H](c1nncn1C)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575523588 949299230 /nfs/dbraw/zinc/29/92/30/949299230.db2.gz RBBMJFQZGBHTRQ-JQWIXIFHSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@@H](c1nncn1C)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575523588 949299217 /nfs/dbraw/zinc/29/92/17/949299217.db2.gz RBBMJFQZGBHTRQ-JQWIXIFHSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@H](c1nncn1C)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575523591 949297197 /nfs/dbraw/zinc/29/71/97/949297197.db2.gz RBBMJFQZGBHTRQ-PWSUYJOCSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@H](c1nncn1C)N(C)C[C@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575523591 949297182 /nfs/dbraw/zinc/29/71/82/949297182.db2.gz RBBMJFQZGBHTRQ-PWSUYJOCSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@H](c1nncn1C)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575523593 949297506 /nfs/dbraw/zinc/29/75/06/949297506.db2.gz RBBMJFQZGBHTRQ-ZYHUDNBSSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@H](c1nncn1C)N(C)C[C@@H](O)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575523593 949297486 /nfs/dbraw/zinc/29/74/86/949297486.db2.gz RBBMJFQZGBHTRQ-ZYHUDNBSSA-N -1 3 388.436 -0.551 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nc2)CCC(=O)NC1 ZINC001575523827 949303543 /nfs/dbraw/zinc/30/35/43/949303543.db2.gz DRXDYQMVJDIXFQ-KRWDZBQOSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nc2)CCC(=O)NC1 ZINC001575523827 949303522 /nfs/dbraw/zinc/30/35/22/949303522.db2.gz DRXDYQMVJDIXFQ-KRWDZBQOSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nc2)CCC(=O)NC1 ZINC001575523828 949299824 /nfs/dbraw/zinc/29/98/24/949299824.db2.gz DRXDYQMVJDIXFQ-QGZVFWFLSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nc2)CCC(=O)NC1 ZINC001575523828 949299803 /nfs/dbraw/zinc/29/98/03/949299803.db2.gz DRXDYQMVJDIXFQ-QGZVFWFLSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575523852 949301413 /nfs/dbraw/zinc/30/14/13/949301413.db2.gz FKEMFCYBYBTXET-JLLWLGSASA-N -1 3 383.420 -0.232 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575523852 949301390 /nfs/dbraw/zinc/30/13/90/949301390.db2.gz FKEMFCYBYBTXET-JLLWLGSASA-N -1 3 383.420 -0.232 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575523853 949300596 /nfs/dbraw/zinc/30/05/96/949300596.db2.gz FKEMFCYBYBTXET-ZMLRMANQSA-N -1 3 383.420 -0.232 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575523853 949300581 /nfs/dbraw/zinc/30/05/81/949300581.db2.gz FKEMFCYBYBTXET-ZMLRMANQSA-N -1 3 383.420 -0.232 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575523854 949300725 /nfs/dbraw/zinc/30/07/25/949300725.db2.gz FKMAVCVAHHRFEC-GBIKHYSHSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575523854 949300705 /nfs/dbraw/zinc/30/07/05/949300705.db2.gz FKMAVCVAHHRFEC-GBIKHYSHSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575523855 949301143 /nfs/dbraw/zinc/30/11/43/949301143.db2.gz FKMAVCVAHHRFEC-OUJBWJOFSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575523855 949301121 /nfs/dbraw/zinc/30/11/21/949301121.db2.gz FKMAVCVAHHRFEC-OUJBWJOFSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@H](c1nnnn1C)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575523932 949305469 /nfs/dbraw/zinc/30/54/69/949305469.db2.gz FQCHOJNZJLGSSF-GIPNMCIBSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@H](c1nnnn1C)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575523932 949305448 /nfs/dbraw/zinc/30/54/48/949305448.db2.gz FQCHOJNZJLGSSF-GIPNMCIBSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@@H](c1nnnn1C)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575523936 949307287 /nfs/dbraw/zinc/30/72/87/949307287.db2.gz FQCHOJNZJLGSSF-OPQQBVKSSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@@H](c1nnnn1C)N1CC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575523936 949307274 /nfs/dbraw/zinc/30/72/74/949307274.db2.gz FQCHOJNZJLGSSF-OPQQBVKSSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@H](c1ncccn1)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575524192 949310011 /nfs/dbraw/zinc/31/00/11/949310011.db2.gz SRWIGAWPKPOFQB-LLVKDONJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1ncccn1)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575524192 949309989 /nfs/dbraw/zinc/30/99/89/949309989.db2.gz SRWIGAWPKPOFQB-LLVKDONJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1ncccn1)N1CC(CCO)(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575524196 949313621 /nfs/dbraw/zinc/31/36/21/949313621.db2.gz SRWIGAWPKPOFQB-NSHDSACASA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1ncccn1)N1CC(CCO)(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575524196 949313599 /nfs/dbraw/zinc/31/35/99/949313599.db2.gz SRWIGAWPKPOFQB-NSHDSACASA-N -1 3 383.416 -0.087 20 0 GBADHM CC1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001575524369 949310838 /nfs/dbraw/zinc/31/08/38/949310838.db2.gz HCGWRIIGBCBURR-UHFFFAOYSA-N -1 3 391.432 -0.438 20 0 GBADHM CC1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001575524369 949310819 /nfs/dbraw/zinc/31/08/19/949310819.db2.gz HCGWRIIGBCBURR-UHFFFAOYSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@@H](c1nnnn1C)N1CC=C(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575524390 949311580 /nfs/dbraw/zinc/31/15/80/949311580.db2.gz HMXNUCNWIDPMFK-JTQLQIEISA-N -1 3 383.420 -0.159 20 0 GBADHM C[C@@H](c1nnnn1C)N1CC=C(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575524390 949311556 /nfs/dbraw/zinc/31/15/56/949311556.db2.gz HMXNUCNWIDPMFK-JTQLQIEISA-N -1 3 383.420 -0.159 20 0 GBADHM C[C@H](c1nnnn1C)N1CC=C(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001575524391 949313043 /nfs/dbraw/zinc/31/30/43/949313043.db2.gz HMXNUCNWIDPMFK-SNVBAGLBSA-N -1 3 383.420 -0.159 20 0 GBADHM C[C@H](c1nnnn1C)N1CC=C(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001575524391 949313024 /nfs/dbraw/zinc/31/30/24/949313024.db2.gz HMXNUCNWIDPMFK-SNVBAGLBSA-N -1 3 383.420 -0.159 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575524422 949318777 /nfs/dbraw/zinc/31/87/77/949318777.db2.gz IMPNGFMVXGWQMV-HKWIRBFKSA-N -1 3 383.420 -0.613 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575524422 949318751 /nfs/dbraw/zinc/31/87/51/949318751.db2.gz IMPNGFMVXGWQMV-HKWIRBFKSA-N -1 3 383.420 -0.613 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H]2C1 ZINC001575524423 949317043 /nfs/dbraw/zinc/31/70/43/949317043.db2.gz IMPNGFMVXGWQMV-PDEGPIFNSA-N -1 3 383.420 -0.613 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H]2C1 ZINC001575524423 949317024 /nfs/dbraw/zinc/31/70/24/949317024.db2.gz IMPNGFMVXGWQMV-PDEGPIFNSA-N -1 3 383.420 -0.613 20 0 GBADHM C[C@H](c1nnnn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001575524428 949315643 /nfs/dbraw/zinc/31/56/43/949315643.db2.gz IQSAJXDWFWGRQZ-GOONRYMUSA-N -1 3 383.420 -0.185 20 0 GBADHM C[C@H](c1nnnn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2 ZINC001575524428 949315623 /nfs/dbraw/zinc/31/56/23/949315623.db2.gz IQSAJXDWFWGRQZ-GOONRYMUSA-N -1 3 383.420 -0.185 20 0 GBADHM C[C@@H](c1nnnn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2 ZINC001575524429 949316662 /nfs/dbraw/zinc/31/66/62/949316662.db2.gz 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3 386.416 -0.558 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575524446 949318533 /nfs/dbraw/zinc/31/85/33/949318533.db2.gz JHGYHTAAVHGYQE-DBIOUOCHSA-N -1 3 383.420 -0.613 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575524446 949318514 /nfs/dbraw/zinc/31/85/14/949318514.db2.gz JHGYHTAAVHGYQE-DBIOUOCHSA-N -1 3 383.420 -0.613 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575524449 949318433 /nfs/dbraw/zinc/31/84/33/949318433.db2.gz JHGYHTAAVHGYQE-XWLWVQCSSA-N -1 3 383.420 -0.613 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001575524449 949318414 /nfs/dbraw/zinc/31/84/14/949318414.db2.gz JHGYHTAAVHGYQE-XWLWVQCSSA-N -1 3 383.420 -0.613 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001575524463 949317448 /nfs/dbraw/zinc/31/74/48/949317448.db2.gz 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391.432 -0.438 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001575524468 949315268 /nfs/dbraw/zinc/31/52/68/949315268.db2.gz JSULTDWUANDEFO-BXKDBHETSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001575524468 949315238 /nfs/dbraw/zinc/31/52/38/949315238.db2.gz JSULTDWUANDEFO-BXKDBHETSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001575524469 949316873 /nfs/dbraw/zinc/31/68/73/949316873.db2.gz JSULTDWUANDEFO-CABZTGNLSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001575524469 949316852 /nfs/dbraw/zinc/31/68/52/949316852.db2.gz JSULTDWUANDEFO-CABZTGNLSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001575524470 949317771 /nfs/dbraw/zinc/31/77/71/949317771.db2.gz JSULTDWUANDEFO-JOYOIKCWSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001575524470 949317749 /nfs/dbraw/zinc/31/77/49/949317749.db2.gz JSULTDWUANDEFO-JOYOIKCWSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C(C)(C)C1 ZINC001575524471 949317393 /nfs/dbraw/zinc/31/73/93/949317393.db2.gz JSULTDWUANDEFO-SKDRFNHKSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C(C)(C)C1 ZINC001575524471 949317376 /nfs/dbraw/zinc/31/73/76/949317376.db2.gz JSULTDWUANDEFO-SKDRFNHKSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001575524473 949315518 /nfs/dbraw/zinc/31/55/18/949315518.db2.gz JVOVZWOYPQKTLE-GMTAPVOTSA-N -1 3 385.436 -0.223 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@H](C)C1 ZINC001575524474 949315356 /nfs/dbraw/zinc/31/53/56/949315356.db2.gz JVOVZWOYPQKTLE-OUAUKWLOSA-N -1 3 385.436 -0.223 20 0 GBADHM C[C@@H](c1csnn1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575524488 949323547 /nfs/dbraw/zinc/32/35/47/949323547.db2.gz TVJHRVFQEAKSON-HNBZJPLGSA-N -1 3 375.418 -0.418 20 0 GBADHM C[C@@H](c1csnn1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575524488 949323528 /nfs/dbraw/zinc/32/35/28/949323528.db2.gz TVJHRVFQEAKSON-HNBZJPLGSA-N -1 3 375.418 -0.418 20 0 GBADHM C[C@H](c1csnn1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575524489 949319898 /nfs/dbraw/zinc/31/98/98/949319898.db2.gz TVJHRVFQEAKSON-NYRNMGCKSA-N -1 3 375.418 -0.418 20 0 GBADHM C[C@H](c1csnn1)N1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575524489 949319875 /nfs/dbraw/zinc/31/98/75/949319875.db2.gz TVJHRVFQEAKSON-NYRNMGCKSA-N -1 3 375.418 -0.418 20 0 GBADHM C[C@@H](c1csnn1)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575524522 949321475 /nfs/dbraw/zinc/32/14/75/949321475.db2.gz ULSRBDMHEIVUGJ-BJOHPYRUSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575524522 949321453 /nfs/dbraw/zinc/32/14/53/949321453.db2.gz ULSRBDMHEIVUGJ-BJOHPYRUSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@H](c1csnn1)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575524523 949319683 /nfs/dbraw/zinc/31/96/83/949319683.db2.gz ULSRBDMHEIVUGJ-PSLIRLAXSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@H](c1csnn1)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575524523 949319658 /nfs/dbraw/zinc/31/96/58/949319658.db2.gz ULSRBDMHEIVUGJ-PSLIRLAXSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@H](c1csnn1)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575524524 949321357 /nfs/dbraw/zinc/32/13/57/949321357.db2.gz ULSRBDMHEIVUGJ-RFAUZJTJSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@H](c1csnn1)N1CC[C@@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575524524 949321338 /nfs/dbraw/zinc/32/13/38/949321338.db2.gz ULSRBDMHEIVUGJ-RFAUZJTJSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC[C@](O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575524525 949323626 /nfs/dbraw/zinc/32/36/26/949323626.db2.gz ULSRBDMHEIVUGJ-VFZGTOFNSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC[C@](O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575524525 949323602 /nfs/dbraw/zinc/32/36/02/949323602.db2.gz ULSRBDMHEIVUGJ-VFZGTOFNSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524659 949325284 /nfs/dbraw/zinc/32/52/84/949325284.db2.gz VEHQBCMTOHFYKS-BJOHPYRUSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524659 949325262 /nfs/dbraw/zinc/32/52/62/949325262.db2.gz VEHQBCMTOHFYKS-BJOHPYRUSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@H](c1csnn1)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524662 949327246 /nfs/dbraw/zinc/32/72/46/949327246.db2.gz VEHQBCMTOHFYKS-PSLIRLAXSA-N -1 3 389.445 -0.026 20 0 GBADHM 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949326038 /nfs/dbraw/zinc/32/60/38/949326038.db2.gz KOAKPVJKRGXDDQ-KRWDZBQOSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)cn2)CCC(=O)NC1 ZINC001575524888 949326011 /nfs/dbraw/zinc/32/60/11/949326011.db2.gz KOAKPVJKRGXDDQ-KRWDZBQOSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)cn2)CCC(=O)NC1 ZINC001575524889 949329317 /nfs/dbraw/zinc/32/93/17/949329317.db2.gz KOAKPVJKRGXDDQ-QGZVFWFLSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)cn2)CCC(=O)NC1 ZINC001575524889 949329298 /nfs/dbraw/zinc/32/92/98/949329298.db2.gz KOAKPVJKRGXDDQ-QGZVFWFLSA-N -1 3 388.432 -0.589 20 0 GBADHM CC1(C(=O)N(CCO)CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575524906 949326894 /nfs/dbraw/zinc/32/68/94/949326894.db2.gz KXRHHLDORQHMSZ-UHFFFAOYSA-N -1 3 391.432 -0.438 20 0 GBADHM CC1(C(=O)N(CCO)CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575524906 949326872 /nfs/dbraw/zinc/32/68/72/949326872.db2.gz KXRHHLDORQHMSZ-UHFFFAOYSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@@]1(C(=O)N(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CNC(=O)C1 ZINC001575524934 949327901 /nfs/dbraw/zinc/32/79/01/949327901.db2.gz LQTZVHVOCJJGTO-KRWDZBQOSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CNC(=O)C1 ZINC001575524934 949327881 /nfs/dbraw/zinc/32/78/81/949327881.db2.gz LQTZVHVOCJJGTO-KRWDZBQOSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N(CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C2CC2)CNC(=O)C1 ZINC001575524935 949328773 /nfs/dbraw/zinc/32/87/73/949328773.db2.gz LQTZVHVOCJJGTO-QGZVFWFLSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N(CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C2CC2)CNC(=O)C1 ZINC001575524935 949328752 /nfs/dbraw/zinc/32/87/52/949328752.db2.gz LQTZVHVOCJJGTO-QGZVFWFLSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@]2(C)C1 ZINC001575524944 949335616 /nfs/dbraw/zinc/33/56/16/949335616.db2.gz LSLXIBSQFCQXCF-BFCNOCSMSA-N -1 3 397.447 -0.127 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@]2(C)C1 ZINC001575524944 949335593 /nfs/dbraw/zinc/33/55/93/949335593.db2.gz LSLXIBSQFCQXCF-BFCNOCSMSA-N -1 3 397.447 -0.127 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C[C@]2(C)C1 ZINC001575524945 949332233 /nfs/dbraw/zinc/33/22/33/949332233.db2.gz LSLXIBSQFCQXCF-HSOHIQCKSA-N -1 3 397.447 -0.127 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C[C@]2(C)C1 ZINC001575524945 949332214 /nfs/dbraw/zinc/33/22/14/949332214.db2.gz LSLXIBSQFCQXCF-HSOHIQCKSA-N -1 3 397.447 -0.127 20 0 GBADHM C[C@H](c1csnn1)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524991 949332373 /nfs/dbraw/zinc/33/23/73/949332373.db2.gz VEHQBCMTOHFYKS-RFAUZJTJSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@H](c1csnn1)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524991 949332353 /nfs/dbraw/zinc/33/23/53/949332353.db2.gz VEHQBCMTOHFYKS-RFAUZJTJSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575524993 949333593 /nfs/dbraw/zinc/33/35/93/949333593.db2.gz VEHQBCMTOHFYKS-VFZGTOFNSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1csnn1)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575524993 949333570 /nfs/dbraw/zinc/33/35/70/949333570.db2.gz VEHQBCMTOHFYKS-VFZGTOFNSA-N -1 3 389.445 -0.026 20 0 GBADHM C[C@@H](c1ncccn1)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575525014 949333706 /nfs/dbraw/zinc/33/37/06/949333706.db2.gz VMOWDMMMJWRZAQ-APPDUMDISA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1ncccn1)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575525014 949333681 /nfs/dbraw/zinc/33/36/81/949333681.db2.gz VMOWDMMMJWRZAQ-APPDUMDISA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1ncccn1)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575525016 949334537 /nfs/dbraw/zinc/33/45/37/949334537.db2.gz VMOWDMMMJWRZAQ-DIFFPNOSSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1ncccn1)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575525016 949334517 /nfs/dbraw/zinc/33/45/17/949334517.db2.gz VMOWDMMMJWRZAQ-DIFFPNOSSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1ncccn1)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575525018 949333516 /nfs/dbraw/zinc/33/35/16/949333516.db2.gz VMOWDMMMJWRZAQ-GTNSWQLSSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@@H](c1ncccn1)N1CC[C@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575525018 949333492 /nfs/dbraw/zinc/33/34/92/949333492.db2.gz VMOWDMMMJWRZAQ-GTNSWQLSSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1ncccn1)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575525020 949333274 /nfs/dbraw/zinc/33/32/74/949333274.db2.gz VMOWDMMMJWRZAQ-PIGZYNQJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1ncccn1)N1CC[C@@](O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575525020 949333251 /nfs/dbraw/zinc/33/32/51/949333251.db2.gz VMOWDMMMJWRZAQ-PIGZYNQJSA-N -1 3 383.416 -0.087 20 0 GBADHM C[C@H](c1nnnn1C)N(C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575525231 949336849 /nfs/dbraw/zinc/33/68/49/949336849.db2.gz WUILFKSRLXGLSH-GHMZBOCLSA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@H](c1nnnn1C)N(C)C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575525231 949336826 /nfs/dbraw/zinc/33/68/26/949336826.db2.gz WUILFKSRLXGLSH-GHMZBOCLSA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@H](c1nnnn1C)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575525233 949339763 /nfs/dbraw/zinc/33/97/63/949339763.db2.gz WUILFKSRLXGLSH-MNOVXSKESA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@H](c1nnnn1C)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575525233 949339742 /nfs/dbraw/zinc/33/97/42/949339742.db2.gz WUILFKSRLXGLSH-MNOVXSKESA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@@H](c1nnnn1C)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575525236 949336612 /nfs/dbraw/zinc/33/66/12/949336612.db2.gz WUILFKSRLXGLSH-QWRGUYRKSA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@@H](c1nnnn1C)N(C)C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575525236 949336589 /nfs/dbraw/zinc/33/65/89/949336589.db2.gz WUILFKSRLXGLSH-QWRGUYRKSA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@@H](c1nnnn1C)N(C)C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575525240 949336391 /nfs/dbraw/zinc/33/63/91/949336391.db2.gz WUILFKSRLXGLSH-WDEREUQCSA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@@H](c1nnnn1C)N(C)C[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575525240 949336359 /nfs/dbraw/zinc/33/63/59/949336359.db2.gz WUILFKSRLXGLSH-WDEREUQCSA-N -1 3 385.436 -0.127 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNc2ncccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575525374 949341593 /nfs/dbraw/zinc/34/15/93/949341593.db2.gz MXNUBHHWQCPDRJ-KRWDZBQOSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNc2ncccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575525374 949341570 /nfs/dbraw/zinc/34/15/70/949341570.db2.gz MXNUBHHWQCPDRJ-KRWDZBQOSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNc2ncccc2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575525375 949340808 /nfs/dbraw/zinc/34/08/08/949340808.db2.gz MXNUBHHWQCPDRJ-QGZVFWFLSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNc2ncccc2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575525375 949340789 /nfs/dbraw/zinc/34/07/89/949340789.db2.gz MXNUBHHWQCPDRJ-QGZVFWFLSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@H](c1nnnn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001575525400 949341529 /nfs/dbraw/zinc/34/15/29/949341529.db2.gz NDEUZJKHCYFDPE-GOONRYMUSA-N -1 3 383.420 -0.185 20 0 GBADHM C[C@H](c1nnnn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001575525400 949341495 /nfs/dbraw/zinc/34/14/95/949341495.db2.gz NDEUZJKHCYFDPE-GOONRYMUSA-N -1 3 383.420 -0.185 20 0 GBADHM C[C@@H](c1nnnn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001575525401 949341171 /nfs/dbraw/zinc/34/11/71/949341171.db2.gz NDEUZJKHCYFDPE-UKKREREHSA-N -1 3 383.420 -0.185 20 0 GBADHM C[C@@H](c1nnnn1C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001575525401 949341148 /nfs/dbraw/zinc/34/11/48/949341148.db2.gz NDEUZJKHCYFDPE-UKKREREHSA-N -1 3 383.420 -0.185 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575525441 949342312 /nfs/dbraw/zinc/34/23/12/949342312.db2.gz NRLJXKNFVLFLFU-INIZCTEOSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575525441 949342289 /nfs/dbraw/zinc/34/22/89/949342289.db2.gz NRLJXKNFVLFLFU-INIZCTEOSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575525443 949345007 /nfs/dbraw/zinc/34/50/07/949345007.db2.gz NRLJXKNFVLFLFU-MRXNPFEDSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575525443 949344984 /nfs/dbraw/zinc/34/49/84/949344984.db2.gz NRLJXKNFVLFLFU-MRXNPFEDSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@H](c1nnnn1C)N1CCC[C@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575525462 949341993 /nfs/dbraw/zinc/34/19/93/949341993.db2.gz OAPGGFQRMWLTEE-GHMZBOCLSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@H](c1nnnn1C)N1CCC[C@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575525462 949341968 /nfs/dbraw/zinc/34/19/68/949341968.db2.gz OAPGGFQRMWLTEE-GHMZBOCLSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@H](c1nnnn1C)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575525466 949342799 /nfs/dbraw/zinc/34/27/99/949342799.db2.gz OAPGGFQRMWLTEE-MNOVXSKESA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@H](c1nnnn1C)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575525466 949342777 /nfs/dbraw/zinc/34/27/77/949342777.db2.gz OAPGGFQRMWLTEE-MNOVXSKESA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@@H](c1nnnn1C)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575525468 949343722 /nfs/dbraw/zinc/34/37/22/949343722.db2.gz OAPGGFQRMWLTEE-QWRGUYRKSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@@H](c1nnnn1C)N1CCC[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575525468 949343700 /nfs/dbraw/zinc/34/37/00/949343700.db2.gz OAPGGFQRMWLTEE-QWRGUYRKSA-N -1 3 385.436 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C[C@H](c1nnnn1C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575525520 949345115 /nfs/dbraw/zinc/34/51/15/949345115.db2.gz PGOAAOKYRYGLHY-MXWKQRLJSA-N -1 3 383.420 -0.232 20 0 GBADHM C[C@@H](c1nncn1C)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575525609 949348618 /nfs/dbraw/zinc/34/86/18/949348618.db2.gz YQTWPYPUMYWGBU-CMPLNLGQSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@@H](c1nncn1C)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575525609 949348595 /nfs/dbraw/zinc/34/85/95/949348595.db2.gz YQTWPYPUMYWGBU-CMPLNLGQSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@@H](c1nncn1C)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575525611 949348682 /nfs/dbraw/zinc/34/86/82/949348682.db2.gz YQTWPYPUMYWGBU-JQWIXIFHSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@@H](c1nncn1C)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575525611 949348664 /nfs/dbraw/zinc/34/86/64/949348664.db2.gz YQTWPYPUMYWGBU-JQWIXIFHSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@H](c1nncn1C)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575525614 949348549 /nfs/dbraw/zinc/34/85/49/949348549.db2.gz YQTWPYPUMYWGBU-PWSUYJOCSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@H](c1nncn1C)N1CCO[C@@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575525614 949348530 /nfs/dbraw/zinc/34/85/30/949348530.db2.gz YQTWPYPUMYWGBU-PWSUYJOCSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@H](c1nncn1C)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575525617 949349074 /nfs/dbraw/zinc/34/90/74/949349074.db2.gz YQTWPYPUMYWGBU-ZYHUDNBSSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@H](c1nncn1C)N1CCO[C@H](CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001575525617 949349054 /nfs/dbraw/zinc/34/90/54/949349054.db2.gz YQTWPYPUMYWGBU-ZYHUDNBSSA-N -1 3 386.420 -0.485 20 0 GBADHM C[C@@H](c1csnn1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575525689 949352757 /nfs/dbraw/zinc/35/27/57/949352757.db2.gz ZIFSSQHGHKETHN-HNBZJPLGSA-N -1 3 375.418 -0.418 20 0 GBADHM C[C@@H](c1csnn1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575525689 949352738 /nfs/dbraw/zinc/35/27/38/949352738.db2.gz ZIFSSQHGHKETHN-HNBZJPLGSA-N -1 3 375.418 -0.418 20 0 GBADHM C[C@H](c1csnn1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575525692 949351827 /nfs/dbraw/zinc/35/18/27/949351827.db2.gz ZIFSSQHGHKETHN-NYRNMGCKSA-N -1 3 375.418 -0.418 20 0 GBADHM C[C@H](c1csnn1)N1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575525692 949351808 /nfs/dbraw/zinc/35/18/08/949351808.db2.gz ZIFSSQHGHKETHN-NYRNMGCKSA-N -1 3 375.418 -0.418 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001575525709 949355837 /nfs/dbraw/zinc/35/58/37/949355837.db2.gz PUZIULCKCWWKGC-JLLWLGSASA-N -1 3 383.420 -0.517 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001575525709 949355816 /nfs/dbraw/zinc/35/58/16/949355816.db2.gz PUZIULCKCWWKGC-JLLWLGSASA-N -1 3 383.420 -0.517 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C[C@@H]2C1 ZINC001575525712 949352984 /nfs/dbraw/zinc/35/29/84/949352984.db2.gz PUZIULCKCWWKGC-ZMLRMANQSA-N -1 3 383.420 -0.517 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C[C@@H]2C1 ZINC001575525712 949352963 /nfs/dbraw/zinc/35/29/63/949352963.db2.gz PUZIULCKCWWKGC-ZMLRMANQSA-N -1 3 383.420 -0.517 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575525757 949354355 /nfs/dbraw/zinc/35/43/55/949354355.db2.gz QMXICQYMJVIPQS-GBIKHYSHSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575525757 949354334 /nfs/dbraw/zinc/35/43/34/949354334.db2.gz QMXICQYMJVIPQS-GBIKHYSHSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)[C@@H]2C1 ZINC001575525759 949352697 /nfs/dbraw/zinc/35/26/97/949352697.db2.gz QMXICQYMJVIPQS-OUJBWJOFSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)[C@@H]2C1 ZINC001575525759 949352675 /nfs/dbraw/zinc/35/26/75/949352675.db2.gz QMXICQYMJVIPQS-OUJBWJOFSA-N -1 3 383.420 -0.374 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575525773 949353114 /nfs/dbraw/zinc/35/31/14/949353114.db2.gz QSIJPYQHQYCTDN-KRWDZBQOSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575525773 949353093 /nfs/dbraw/zinc/35/30/93/949353093.db2.gz QSIJPYQHQYCTDN-KRWDZBQOSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575525775 949355523 /nfs/dbraw/zinc/35/55/23/949355523.db2.gz QSIJPYQHQYCTDN-QGZVFWFLSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575525775 949355499 /nfs/dbraw/zinc/35/54/99/949355499.db2.gz QSIJPYQHQYCTDN-QGZVFWFLSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@H](c1nnnn1C)N1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575525903 949360429 /nfs/dbraw/zinc/36/04/29/949360429.db2.gz SPGWIEGAWBCSFG-GHMZBOCLSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@H](c1nnnn1C)N1CC[C@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575525904 949357108 /nfs/dbraw/zinc/35/71/08/949357108.db2.gz SPGWIEGAWBCSFG-MNOVXSKESA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@@H](c1nnnn1C)N1CC[C@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575525905 949358906 /nfs/dbraw/zinc/35/89/06/949358906.db2.gz SPGWIEGAWBCSFG-QWRGUYRKSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@@H](c1nnnn1C)N1CC[C@@H](CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001575525906 949357823 /nfs/dbraw/zinc/35/78/23/949357823.db2.gz SPGWIEGAWBCSFG-WDEREUQCSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@H](c1nnnn1C1CC1)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575525922 949358827 /nfs/dbraw/zinc/35/88/27/949358827.db2.gz SWYSSWQCAYGYOE-SECBINFHSA-N -1 3 383.420 -0.061 20 0 GBADHM C[C@H](c1nnnn1C1CC1)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575525922 949358810 /nfs/dbraw/zinc/35/88/10/949358810.db2.gz SWYSSWQCAYGYOE-SECBINFHSA-N -1 3 383.420 -0.061 20 0 GBADHM C[C@@H](c1nnnn1C1CC1)N1CC(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001575525924 949357168 /nfs/dbraw/zinc/35/71/68/949357168.db2.gz SWYSSWQCAYGYOE-VIFPVBQESA-N -1 3 383.420 -0.061 20 0 GBADHM C[C@@H](c1nnnn1C1CC1)N1CC(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001575525924 949357150 /nfs/dbraw/zinc/35/71/50/949357150.db2.gz SWYSSWQCAYGYOE-VIFPVBQESA-N -1 3 383.420 -0.061 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001575525930 949357469 /nfs/dbraw/zinc/35/74/69/949357469.db2.gz TWBPIYXXVXPXBF-CKYFFXLPSA-N -1 3 385.436 -0.223 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001575525930 949357449 /nfs/dbraw/zinc/35/74/49/949357449.db2.gz TWBPIYXXVXPXBF-CKYFFXLPSA-N -1 3 385.436 -0.223 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H](CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H](C)C1 ZINC001575525932 949360052 /nfs/dbraw/zinc/36/00/52/949360052.db2.gz TWBPIYXXVXPXBF-JFGNBEQYSA-N -1 3 385.436 -0.223 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H](CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H](C)C1 ZINC001575525932 949360029 /nfs/dbraw/zinc/36/00/29/949360029.db2.gz TWBPIYXXVXPXBF-JFGNBEQYSA-N -1 3 385.436 -0.223 20 0 GBADHM C[C@H](c1nnnn1C)N1CC[C@@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575526040 949359751 /nfs/dbraw/zinc/35/97/51/949359751.db2.gz TYRFNDIVVVLZKL-GHMZBOCLSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@H](c1nnnn1C)N1CC[C@@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575526040 949359729 /nfs/dbraw/zinc/35/97/29/949359729.db2.gz TYRFNDIVVVLZKL-GHMZBOCLSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@H](c1nnnn1C)N1CC[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575526044 949359053 /nfs/dbraw/zinc/35/90/53/949359053.db2.gz TYRFNDIVVVLZKL-MNOVXSKESA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@H](c1nnnn1C)N1CC[C@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575526044 949359035 /nfs/dbraw/zinc/35/90/35/949359035.db2.gz TYRFNDIVVVLZKL-MNOVXSKESA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@@H](c1nnnn1C)N1CC[C@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575526047 949359442 /nfs/dbraw/zinc/35/94/42/949359442.db2.gz TYRFNDIVVVLZKL-QWRGUYRKSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@@H](c1nnnn1C)N1CC[C@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575526047 949359430 /nfs/dbraw/zinc/35/94/30/949359430.db2.gz TYRFNDIVVVLZKL-QWRGUYRKSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@@H](c1nnnn1C)N1CC[C@@H](CCNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001575526053 949360596 /nfs/dbraw/zinc/36/05/96/949360596.db2.gz TYRFNDIVVVLZKL-WDEREUQCSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@@H](c1nnnn1C)N1CC[C@@H](CCNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001575526053 949360570 /nfs/dbraw/zinc/36/05/70/949360570.db2.gz TYRFNDIVVVLZKL-WDEREUQCSA-N -1 3 385.436 -0.079 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001575526085 949359354 /nfs/dbraw/zinc/35/93/54/949359354.db2.gz UNWUULLCVMTKOX-BXKDBHETSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001575526085 949359330 /nfs/dbraw/zinc/35/93/30/949359330.db2.gz UNWUULLCVMTKOX-BXKDBHETSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001575526087 949357358 /nfs/dbraw/zinc/35/73/58/949357358.db2.gz UNWUULLCVMTKOX-CABZTGNLSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001575526087 949357336 /nfs/dbraw/zinc/35/73/36/949357336.db2.gz UNWUULLCVMTKOX-CABZTGNLSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001575526089 949356469 /nfs/dbraw/zinc/35/64/69/949356469.db2.gz UNWUULLCVMTKOX-JOYOIKCWSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@@H](c1nnnn1C)N1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001575526089 949356454 /nfs/dbraw/zinc/35/64/54/949356454.db2.gz UNWUULLCVMTKOX-JOYOIKCWSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C(C)(C)C1 ZINC001575526091 949356353 /nfs/dbraw/zinc/35/63/53/949356353.db2.gz UNWUULLCVMTKOX-SKDRFNHKSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@H](c1nnnn1C)N1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C(C)(C)C1 ZINC001575526091 949356335 /nfs/dbraw/zinc/35/63/35/949356335.db2.gz UNWUULLCVMTKOX-SKDRFNHKSA-N -1 3 385.436 -0.080 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nc2)CCNC(=O)C1 ZINC001575526136 949362398 /nfs/dbraw/zinc/36/23/98/949362398.db2.gz VHXDUQHWHIRGET-KRWDZBQOSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@]1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nc2)CCNC(=O)C1 ZINC001575526136 949362381 /nfs/dbraw/zinc/36/23/81/949362381.db2.gz VHXDUQHWHIRGET-KRWDZBQOSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNc2ccc(-c3nn[n-]n3)nc2)CCNC(=O)C1 ZINC001575526140 949364275 /nfs/dbraw/zinc/36/42/75/949364275.db2.gz VHXDUQHWHIRGET-QGZVFWFLSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@@]1(C(=O)N(CCO)CCNc2ccc(-c3nnn[n-]3)nc2)CCNC(=O)C1 ZINC001575526140 949364251 /nfs/dbraw/zinc/36/42/51/949364251.db2.gz VHXDUQHWHIRGET-QGZVFWFLSA-N -1 3 388.432 -0.589 20 0 GBADHM C[C@@]1(C(=O)N(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CNC(=O)C1 ZINC001575526178 949363992 /nfs/dbraw/zinc/36/39/92/949363992.db2.gz VWGGJSHNQOGNLT-KRWDZBQOSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CNC(=O)C1 ZINC001575526178 949363972 /nfs/dbraw/zinc/36/39/72/949363972.db2.gz VWGGJSHNQOGNLT-KRWDZBQOSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N(CCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C2CC2)CNC(=O)C1 ZINC001575526180 949362212 /nfs/dbraw/zinc/36/22/12/949362212.db2.gz VWGGJSHNQOGNLT-QGZVFWFLSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N(CCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C2CC2)CNC(=O)C1 ZINC001575526180 949362188 /nfs/dbraw/zinc/36/21/88/949362188.db2.gz VWGGJSHNQOGNLT-QGZVFWFLSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@H](c1nnnn1C)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575526279 949363335 /nfs/dbraw/zinc/36/33/35/949363335.db2.gz WZKCSFXAXFOXEZ-JTQLQIEISA-N -1 3 383.420 -0.373 20 0 GBADHM C[C@@H](c1nnnn1C)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575526279 949363305 /nfs/dbraw/zinc/36/33/05/949363305.db2.gz WZKCSFXAXFOXEZ-JTQLQIEISA-N -1 3 383.420 -0.373 20 0 GBADHM C[C@H](c1nnnn1C)N1CCC2(CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001575526281 949364457 /nfs/dbraw/zinc/36/44/57/949364457.db2.gz WZKCSFXAXFOXEZ-SNVBAGLBSA-N -1 3 383.420 -0.373 20 0 GBADHM C[C@H](c1nnnn1C)N1CCC2(CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001575526281 949364437 /nfs/dbraw/zinc/36/44/37/949364437.db2.gz WZKCSFXAXFOXEZ-SNVBAGLBSA-N -1 3 383.420 -0.373 20 0 GBADHM 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C[C@]1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCNC(=O)C1 ZINC001575536573 949472665 /nfs/dbraw/zinc/47/26/65/949472665.db2.gz JWLOQFBNECTLCK-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCNC(=O)C1 ZINC001575536573 949472648 /nfs/dbraw/zinc/47/26/48/949472648.db2.gz JWLOQFBNECTLCK-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCNC(=O)C1 ZINC001575536586 949475466 /nfs/dbraw/zinc/47/54/66/949475466.db2.gz KDDUSSHUQMVBLK-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCNC(=O)C1 ZINC001575536586 949475449 /nfs/dbraw/zinc/47/54/49/949475449.db2.gz KDDUSSHUQMVBLK-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCNC(=O)C1 ZINC001575536588 949475692 /nfs/dbraw/zinc/47/56/92/949475692.db2.gz KDDUSSHUQMVBLK-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCNC(=O)C1 ZINC001575536588 949475683 /nfs/dbraw/zinc/47/56/83/949475683.db2.gz KDDUSSHUQMVBLK-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCNC(=O)C1 ZINC001575536590 949477409 /nfs/dbraw/zinc/47/74/09/949477409.db2.gz KDDUSSHUQMVBLK-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCNC(=O)C1 ZINC001575536590 949477395 /nfs/dbraw/zinc/47/73/95/949477395.db2.gz KDDUSSHUQMVBLK-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCNC(=O)C1 ZINC001575536592 949475563 /nfs/dbraw/zinc/47/55/63/949475563.db2.gz KDDUSSHUQMVBLK-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCNC(=O)C1 ZINC001575536592 949475545 /nfs/dbraw/zinc/47/55/45/949475545.db2.gz KDDUSSHUQMVBLK-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC(=O)NC1 ZINC001575536620 949477557 /nfs/dbraw/zinc/47/75/57/949477557.db2.gz KTIKBGXGPTUZKV-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC(=O)NC1 ZINC001575536620 949477547 /nfs/dbraw/zinc/47/75/47/949477547.db2.gz KTIKBGXGPTUZKV-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC(=O)NC1 ZINC001575536622 949476046 /nfs/dbraw/zinc/47/60/46/949476046.db2.gz KTIKBGXGPTUZKV-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC(=O)NC1 ZINC001575536622 949476033 /nfs/dbraw/zinc/47/60/33/949476033.db2.gz KTIKBGXGPTUZKV-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC(=O)NC1 ZINC001575536623 949477518 /nfs/dbraw/zinc/47/75/18/949477518.db2.gz KTIKBGXGPTUZKV-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC(=O)NC1 ZINC001575536623 949477503 /nfs/dbraw/zinc/47/75/03/949477503.db2.gz KTIKBGXGPTUZKV-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC(=O)NC1 ZINC001575536625 949476245 /nfs/dbraw/zinc/47/62/45/949476245.db2.gz KTIKBGXGPTUZKV-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC(=O)NC1 ZINC001575536625 949476229 /nfs/dbraw/zinc/47/62/29/949476229.db2.gz KTIKBGXGPTUZKV-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC(=O)NC1 ZINC001575536792 949475355 /nfs/dbraw/zinc/47/53/55/949475355.db2.gz LXBCHFJDXRHURB-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC(=O)NC1 ZINC001575536792 949475334 /nfs/dbraw/zinc/47/53/34/949475334.db2.gz LXBCHFJDXRHURB-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC(=O)NC1 ZINC001575536794 949474982 /nfs/dbraw/zinc/47/49/82/949474982.db2.gz LXBCHFJDXRHURB-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC(=O)NC1 ZINC001575536794 949474973 /nfs/dbraw/zinc/47/49/73/949474973.db2.gz LXBCHFJDXRHURB-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC(=O)NC1 ZINC001575536796 949477306 /nfs/dbraw/zinc/47/73/06/949477306.db2.gz LXBCHFJDXRHURB-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC(=O)NC1 ZINC001575536796 949477288 /nfs/dbraw/zinc/47/72/88/949477288.db2.gz LXBCHFJDXRHURB-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC(=O)NC1 ZINC001575536798 949475606 /nfs/dbraw/zinc/47/56/06/949475606.db2.gz LXBCHFJDXRHURB-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H]2CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC(=O)NC1 ZINC001575536798 949475594 /nfs/dbraw/zinc/47/55/94/949475594.db2.gz LXBCHFJDXRHURB-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575536954 949482076 /nfs/dbraw/zinc/48/20/76/949482076.db2.gz PDVRGQVUUIJFRW-DLBZAZTESA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575536954 949482064 /nfs/dbraw/zinc/48/20/64/949482064.db2.gz PDVRGQVUUIJFRW-DLBZAZTESA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575536956 949479094 /nfs/dbraw/zinc/47/90/94/949479094.db2.gz PDVRGQVUUIJFRW-IAGOWNOFSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575536956 949479082 /nfs/dbraw/zinc/47/90/82/949479082.db2.gz PDVRGQVUUIJFRW-IAGOWNOFSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575536959 949484714 /nfs/dbraw/zinc/48/47/14/949484714.db2.gz PDVRGQVUUIJFRW-IRXDYDNUSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575536959 949484702 /nfs/dbraw/zinc/48/47/02/949484702.db2.gz PDVRGQVUUIJFRW-IRXDYDNUSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575536960 949486472 /nfs/dbraw/zinc/48/64/72/949486472.db2.gz PDVRGQVUUIJFRW-SJORKVTESA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@](O)(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575536960 949486457 /nfs/dbraw/zinc/48/64/57/949486457.db2.gz PDVRGQVUUIJFRW-SJORKVTESA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCNC(=O)C1 ZINC001575537191 949489584 /nfs/dbraw/zinc/48/95/84/949489584.db2.gz SYDIUSYVSRERGK-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCNC(=O)C1 ZINC001575537191 949489571 /nfs/dbraw/zinc/48/95/71/949489571.db2.gz SYDIUSYVSRERGK-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCNC(=O)C1 ZINC001575537192 949488645 /nfs/dbraw/zinc/48/86/45/949488645.db2.gz SYDIUSYVSRERGK-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCNC(=O)C1 ZINC001575537192 949488634 /nfs/dbraw/zinc/48/86/34/949488634.db2.gz SYDIUSYVSRERGK-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCNC(=O)C1 ZINC001575537193 949489241 /nfs/dbraw/zinc/48/92/41/949489241.db2.gz SYDIUSYVSRERGK-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCNC(=O)C1 ZINC001575537193 949489222 /nfs/dbraw/zinc/48/92/22/949489222.db2.gz SYDIUSYVSRERGK-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCNC(=O)C1 ZINC001575537194 949487671 /nfs/dbraw/zinc/48/76/71/949487671.db2.gz SYDIUSYVSRERGK-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCNC(=O)C1 ZINC001575537194 949487660 /nfs/dbraw/zinc/48/76/60/949487660.db2.gz SYDIUSYVSRERGK-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC(=O)NC1 ZINC001575537409 949495627 /nfs/dbraw/zinc/49/56/27/949495627.db2.gz UODOXKYFRZKLTP-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC(=O)NC1 ZINC001575537409 949495613 /nfs/dbraw/zinc/49/56/13/949495613.db2.gz UODOXKYFRZKLTP-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC(=O)NC1 ZINC001575537410 949495269 /nfs/dbraw/zinc/49/52/69/949495269.db2.gz UODOXKYFRZKLTP-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC(=O)NC1 ZINC001575537410 949495252 /nfs/dbraw/zinc/49/52/52/949495252.db2.gz UODOXKYFRZKLTP-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC(=O)NC1 ZINC001575537411 949494123 /nfs/dbraw/zinc/49/41/23/949494123.db2.gz UODOXKYFRZKLTP-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC(=O)NC1 ZINC001575537411 949494106 /nfs/dbraw/zinc/49/41/06/949494106.db2.gz UODOXKYFRZKLTP-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCC(=O)NC1 ZINC001575537412 949494755 /nfs/dbraw/zinc/49/47/55/949494755.db2.gz UODOXKYFRZKLTP-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCC(=O)NC1 ZINC001575537412 949494738 /nfs/dbraw/zinc/49/47/38/949494738.db2.gz UODOXKYFRZKLTP-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCNC(=O)C1 ZINC001575537417 949494283 /nfs/dbraw/zinc/49/42/83/949494283.db2.gz UQQVZJYWPUCHCX-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCNC(=O)C1 ZINC001575537417 949494264 /nfs/dbraw/zinc/49/42/64/949494264.db2.gz UQQVZJYWPUCHCX-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCNC(=O)C1 ZINC001575537418 949491906 /nfs/dbraw/zinc/49/19/06/949491906.db2.gz UQQVZJYWPUCHCX-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCNC(=O)C1 ZINC001575537418 949491899 /nfs/dbraw/zinc/49/18/99/949491899.db2.gz UQQVZJYWPUCHCX-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCNC(=O)C1 ZINC001575537419 949494174 /nfs/dbraw/zinc/49/41/74/949494174.db2.gz UQQVZJYWPUCHCX-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCNC(=O)C1 ZINC001575537419 949494159 /nfs/dbraw/zinc/49/41/59/949494159.db2.gz UQQVZJYWPUCHCX-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCNC(=O)C1 ZINC001575537420 949495001 /nfs/dbraw/zinc/49/50/01/949495001.db2.gz UQQVZJYWPUCHCX-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCNC(=O)C1 ZINC001575537420 949494991 /nfs/dbraw/zinc/49/49/91/949494991.db2.gz UQQVZJYWPUCHCX-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCC(=O)NC1 ZINC001575537427 949494442 /nfs/dbraw/zinc/49/44/42/949494442.db2.gz UTOJJNWUNNBMEB-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCC(=O)NC1 ZINC001575537427 949494429 /nfs/dbraw/zinc/49/44/29/949494429.db2.gz UTOJJNWUNNBMEB-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCC(=O)NC1 ZINC001575537428 949493263 /nfs/dbraw/zinc/49/32/63/949493263.db2.gz UTOJJNWUNNBMEB-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCC(=O)NC1 ZINC001575537428 949493248 /nfs/dbraw/zinc/49/32/48/949493248.db2.gz UTOJJNWUNNBMEB-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCC(=O)NC1 ZINC001575537429 949493061 /nfs/dbraw/zinc/49/30/61/949493061.db2.gz UTOJJNWUNNBMEB-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCC(=O)NC1 ZINC001575537429 949493040 /nfs/dbraw/zinc/49/30/40/949493040.db2.gz UTOJJNWUNNBMEB-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCC(=O)NC1 ZINC001575537430 949493782 /nfs/dbraw/zinc/49/37/82/949493782.db2.gz UTOJJNWUNNBMEB-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCC(=O)NC1 ZINC001575537430 949493768 /nfs/dbraw/zinc/49/37/68/949493768.db2.gz UTOJJNWUNNBMEB-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCNC(=O)C1 ZINC001575537468 949495110 /nfs/dbraw/zinc/49/51/10/949495110.db2.gz VVNMZVPOVJSISE-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N2CC[C@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCNC(=O)C1 ZINC001575537468 949495084 /nfs/dbraw/zinc/49/50/84/949495084.db2.gz VVNMZVPOVJSISE-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H]2CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCNC(=O)C1 ZINC001575537469 949492391 /nfs/dbraw/zinc/49/23/91/949492391.db2.gz VVNMZVPOVJSISE-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N2CC[C@@H]2CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCNC(=O)C1 ZINC001575537469 949492383 /nfs/dbraw/zinc/49/23/83/949492383.db2.gz VVNMZVPOVJSISE-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM 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XYTYKLYLGGUZCR-QGZVFWFLSA-N -1 3 388.407 -0.034 20 0 GBADHM C[C@@]1(C(=O)N2CCN(c3ncc(-c4nnn[n-]4)cc3F)CC2)CCNC(=O)C1 ZINC001575548353 949673047 /nfs/dbraw/zinc/67/30/47/949673047.db2.gz XYTYKLYLGGUZCR-QGZVFWFLSA-N -1 3 388.407 -0.034 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nc2)CCC(=O)NC1 ZINC001575552668 949681710 /nfs/dbraw/zinc/68/17/10/949681710.db2.gz GRZVYODFOQDMJA-LXIYXOSZSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nc2)CCC(=O)NC1 ZINC001575552668 949681695 /nfs/dbraw/zinc/68/16/95/949681695.db2.gz GRZVYODFOQDMJA-LXIYXOSZSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nc2)CCC(=O)NC1 ZINC001575552669 949681795 /nfs/dbraw/zinc/68/17/95/949681795.db2.gz GRZVYODFOQDMJA-ZJNRKIDTSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nc2)CCC(=O)NC1 ZINC001575552669 949681782 /nfs/dbraw/zinc/68/17/82/949681782.db2.gz GRZVYODFOQDMJA-ZJNRKIDTSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CCCOC1 ZINC001575552691 949681963 /nfs/dbraw/zinc/68/19/63/949681963.db2.gz IFKGYQICUMLKKL-IGCXYCKISA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CCCOC1 ZINC001575552691 949681948 /nfs/dbraw/zinc/68/19/48/949681948.db2.gz IFKGYQICUMLKKL-IGCXYCKISA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)CCCOC1 ZINC001575552692 949683610 /nfs/dbraw/zinc/68/36/10/949683610.db2.gz IFKGYQICUMLKKL-IIYDPXPESA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)CCCOC1 ZINC001575552692 949683595 /nfs/dbraw/zinc/68/35/95/949683595.db2.gz IFKGYQICUMLKKL-IIYDPXPESA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575552693 949685497 /nfs/dbraw/zinc/68/54/97/949685497.db2.gz IFKGYQICUMLKKL-PBFPGSCMSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575552693 949685480 /nfs/dbraw/zinc/68/54/80/949685480.db2.gz IFKGYQICUMLKKL-PBFPGSCMSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCCOC1 ZINC001575552694 949682115 /nfs/dbraw/zinc/68/21/15/949682115.db2.gz IFKGYQICUMLKKL-XNJGSVPQSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCCOC1 ZINC001575552694 949682102 /nfs/dbraw/zinc/68/21/02/949682102.db2.gz IFKGYQICUMLKKL-XNJGSVPQSA-N -1 3 389.416 -0.687 20 0 GBADHM CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575552860 949682665 /nfs/dbraw/zinc/68/26/65/949682665.db2.gz KEFCSGWPDNEAPD-CHWSQXEVSA-N -1 3 389.416 -0.687 20 0 GBADHM CC1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575552860 949682650 /nfs/dbraw/zinc/68/26/50/949682650.db2.gz KEFCSGWPDNEAPD-CHWSQXEVSA-N -1 3 389.416 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SPZWVESMEAJWIB-PSVSLLHZSA-N -1 3 384.400 -0.854 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CNC(=O)C1 ZINC001575554459 949697693 /nfs/dbraw/zinc/69/76/93/949697693.db2.gz SPZWVESMEAJWIB-PSVSLLHZSA-N -1 3 384.400 -0.854 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575554477 949698234 /nfs/dbraw/zinc/69/82/34/949698234.db2.gz SYZSMAUYROUGAV-LXIYXOSZSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575554477 949698226 /nfs/dbraw/zinc/69/82/26/949698226.db2.gz SYZSMAUYROUGAV-LXIYXOSZSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)cn2)CCNC(=O)C1 ZINC001575554484 949696070 /nfs/dbraw/zinc/69/60/70/949696070.db2.gz SYZSMAUYROUGAV-ZJNRKIDTSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)cn2)CCNC(=O)C1 ZINC001575554484 949696062 /nfs/dbraw/zinc/69/60/62/949696062.db2.gz SYZSMAUYROUGAV-ZJNRKIDTSA-N -1 3 382.428 -0.033 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)C[C@H]2C[C@H]2C1 ZINC001575554528 949699595 /nfs/dbraw/zinc/69/95/95/949699595.db2.gz TXXCWBMZSQJGHQ-AOQHKNEPSA-N -1 3 385.428 -0.068 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)C[C@H]2C[C@H]2C1 ZINC001575554528 949699574 /nfs/dbraw/zinc/69/95/74/949699574.db2.gz TXXCWBMZSQJGHQ-AOQHKNEPSA-N -1 3 385.428 -0.068 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575555076 949696238 /nfs/dbraw/zinc/69/62/38/949696238.db2.gz VLYARWYRJIHJEW-PBFPGSCMSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575555076 949696227 /nfs/dbraw/zinc/69/62/27/949696227.db2.gz VLYARWYRJIHJEW-PBFPGSCMSA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575555083 949696278 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CC1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575558517 949740572 /nfs/dbraw/zinc/74/05/72/949740572.db2.gz QMRBWLRIXIZJGN-LLVKDONJSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575558517 949740554 /nfs/dbraw/zinc/74/05/54/949740554.db2.gz QMRBWLRIXIZJGN-LLVKDONJSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575558520 949742777 /nfs/dbraw/zinc/74/27/77/949742777.db2.gz QMRBWLRIXIZJGN-NSHDSACASA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575558520 949742761 /nfs/dbraw/zinc/74/27/61/949742761.db2.gz QMRBWLRIXIZJGN-NSHDSACASA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575558522 949740798 /nfs/dbraw/zinc/74/07/98/949740798.db2.gz QMSUSEUOFZSHRL-BDJLRTHQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575558522 949740784 /nfs/dbraw/zinc/74/07/84/949740784.db2.gz QMSUSEUOFZSHRL-BDJLRTHQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575558525 949741816 /nfs/dbraw/zinc/74/18/16/949741816.db2.gz QMSUSEUOFZSHRL-BZNIZROVSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575558525 949741803 /nfs/dbraw/zinc/74/18/03/949741803.db2.gz QMSUSEUOFZSHRL-BZNIZROVSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575558527 949740235 /nfs/dbraw/zinc/74/02/35/949740235.db2.gz QMSUSEUOFZSHRL-MEDUHNTESA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575558527 949740221 /nfs/dbraw/zinc/74/02/21/949740221.db2.gz QMSUSEUOFZSHRL-MEDUHNTESA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575558529 949743296 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RULUTRDWIDIOOH-NSHDSACASA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)CCNC1=O ZINC001575558804 949744980 /nfs/dbraw/zinc/74/49/80/949744980.db2.gz SJAITTBVQQTLKR-AJAPIDPKSA-N -1 3 398.427 -0.606 20 0 GBADHM C[C@@]1(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)CCNC1=O ZINC001575558804 949744973 /nfs/dbraw/zinc/74/49/73/949744973.db2.gz SJAITTBVQQTLKR-AJAPIDPKSA-N -1 3 398.427 -0.606 20 0 GBADHM C[C@]1(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nn[n-]n5)c[nH]4)C[C@H]32)CCNC1=O ZINC001575558807 949745810 /nfs/dbraw/zinc/74/58/10/949745810.db2.gz SJAITTBVQQTLKR-ZEWFUEFWSA-N -1 3 398.427 -0.606 20 0 GBADHM C[C@]1(C(=O)N2C[C@H]3CCN(C(=O)c4cc(-c5nnn[n-]5)c[nH]4)C[C@H]32)CCNC1=O ZINC001575558807 949745796 /nfs/dbraw/zinc/74/57/96/949745796.db2.gz SJAITTBVQQTLKR-ZEWFUEFWSA-N -1 3 398.427 -0.606 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CCCOC1 ZINC001575559058 949745085 /nfs/dbraw/zinc/74/50/85/949745085.db2.gz UIJWHNSQIIWXDT-IGCXYCKISA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@]1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CCCOC1 ZINC001575559058 949745073 /nfs/dbraw/zinc/74/50/73/949745073.db2.gz UIJWHNSQIIWXDT-IGCXYCKISA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)CCCOC1 ZINC001575559061 949744839 /nfs/dbraw/zinc/74/48/39/949744839.db2.gz UIJWHNSQIIWXDT-IIYDPXPESA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@@]1(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)CCCOC1 ZINC001575559061 949744825 /nfs/dbraw/zinc/74/48/25/949744825.db2.gz UIJWHNSQIIWXDT-IIYDPXPESA-N -1 3 389.416 -0.687 20 0 GBADHM C[C@]1(C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575559073 949748527 /nfs/dbraw/zinc/74/85/27/949748527.db2.gz ULMQPCLRIIJOPW-INIZCTEOSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575559073 949748508 /nfs/dbraw/zinc/74/85/08/949748508.db2.gz ULMQPCLRIIJOPW-INIZCTEOSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575559077 949744949 /nfs/dbraw/zinc/74/49/49/949744949.db2.gz ULMQPCLRIIJOPW-MRXNPFEDSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)NC2(CCO)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575559077 949744939 /nfs/dbraw/zinc/74/49/39/949744939.db2.gz ULMQPCLRIIJOPW-MRXNPFEDSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)CNC(=O)C1 ZINC001575559108 949747673 /nfs/dbraw/zinc/74/76/73/949747673.db2.gz URAIUTMIEJIZND-KACXOKKCSA-N -1 3 398.427 -0.417 20 0 GBADHM C[C@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(-c4nnn[n-]4)c2)C3)CNC(=O)C1 ZINC001575559108 949747656 /nfs/dbraw/zinc/74/76/56/949747656.db2.gz URAIUTMIEJIZND-KACXOKKCSA-N -1 3 398.427 -0.417 20 0 GBADHM C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(-c4nn[n-]n4)c2)C3)CNC(=O)C1 ZINC001575559121 949745893 /nfs/dbraw/zinc/74/58/93/949745893.db2.gz URAIUTMIEJIZND-SXFBXUMFSA-N -1 3 398.427 -0.417 20 0 GBADHM C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2c[nH]c(-c4nnn[n-]4)c2)C3)CNC(=O)C1 ZINC001575559121 949745883 /nfs/dbraw/zinc/74/58/83/949745883.db2.gz URAIUTMIEJIZND-SXFBXUMFSA-N -1 3 398.427 -0.417 20 0 GBADHM C[C@]1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575559664 949765134 /nfs/dbraw/zinc/76/51/34/949765134.db2.gz XQMVARPOMVSKSQ-HWPZZCPQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575559664 949765122 /nfs/dbraw/zinc/76/51/22/949765122.db2.gz XQMVARPOMVSKSQ-HWPZZCPQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575559665 949762652 /nfs/dbraw/zinc/76/26/52/949762652.db2.gz XQMVARPOMVSKSQ-MGPLVRAMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575559665 949762635 /nfs/dbraw/zinc/76/26/35/949762635.db2.gz XQMVARPOMVSKSQ-MGPLVRAMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575559666 949764269 /nfs/dbraw/zinc/76/42/69/949764269.db2.gz XQMVARPOMVSKSQ-QFYYESIMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575559666 949764250 /nfs/dbraw/zinc/76/42/50/949764250.db2.gz XQMVARPOMVSKSQ-QFYYESIMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575559667 949763600 /nfs/dbraw/zinc/76/36/00/949763600.db2.gz XQMVARPOMVSKSQ-QLJPJBMISA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)N[C@@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575559667 949763572 /nfs/dbraw/zinc/76/35/72/949763572.db2.gz XQMVARPOMVSKSQ-QLJPJBMISA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)N2C[C@H]3CCN(C(=O)c4ccc(-c5nn[n-]n5)[nH]4)C[C@H]32)CCNC1=O ZINC001575559670 949765212 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/nfs/dbraw/zinc/77/29/56/949772956.db2.gz ZXTFYOADHITLCN-MRVPVSSYSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC(F)(F)C1 ZINC001575559971 949770442 /nfs/dbraw/zinc/77/04/42/949770442.db2.gz ZXTFYOADHITLCN-QMMMGPOBSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)N[C@H](CO)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC(F)(F)C1 ZINC001575559971 949770431 /nfs/dbraw/zinc/77/04/31/949770431.db2.gz ZXTFYOADHITLCN-QMMMGPOBSA-N -1 3 383.359 -0.163 20 0 GBADHM C[C@]1(C(=O)NC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCC(=O)NC1 ZINC001575560160 949779704 /nfs/dbraw/zinc/77/97/04/949779704.db2.gz LNFXABRMTMDOOZ-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCC(=O)NC1 ZINC001575560160 949779694 /nfs/dbraw/zinc/77/96/94/949779694.db2.gz LNFXABRMTMDOOZ-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCC(=O)NC1 ZINC001575560161 949781714 /nfs/dbraw/zinc/78/17/14/949781714.db2.gz LNFXABRMTMDOOZ-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCC(=O)NC1 ZINC001575560161 949781703 /nfs/dbraw/zinc/78/17/03/949781703.db2.gz LNFXABRMTMDOOZ-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCNC(=O)C1 ZINC001575560211 949779748 /nfs/dbraw/zinc/77/97/48/949779748.db2.gz MPCAMMBYUAEFNM-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCNC(=O)C1 ZINC001575560211 949779733 /nfs/dbraw/zinc/77/97/33/949779733.db2.gz MPCAMMBYUAEFNM-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCNC(=O)C1 ZINC001575560212 949779523 /nfs/dbraw/zinc/77/95/23/949779523.db2.gz MPCAMMBYUAEFNM-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCNC(=O)C1 ZINC001575560212 949779511 /nfs/dbraw/zinc/77/95/11/949779511.db2.gz MPCAMMBYUAEFNM-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCNC(=O)C1 ZINC001575560525 949791337 /nfs/dbraw/zinc/79/13/37/949791337.db2.gz REAYWPITRVOVLK-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCNC(=O)C1 ZINC001575560525 949791329 /nfs/dbraw/zinc/79/13/29/949791329.db2.gz REAYWPITRVOVLK-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC2(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCNC(=O)C1 ZINC001575560526 949793120 /nfs/dbraw/zinc/79/31/20/949793120.db2.gz REAYWPITRVOVLK-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC2(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCNC(=O)C1 ZINC001575560526 949793105 /nfs/dbraw/zinc/79/31/05/949793105.db2.gz REAYWPITRVOVLK-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCC(=O)NC1 ZINC001575560800 949792845 /nfs/dbraw/zinc/79/28/45/949792845.db2.gz UPFQOVZSXKJEJO-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCC(=O)NC1 ZINC001575560800 949792828 /nfs/dbraw/zinc/79/28/28/949792828.db2.gz UPFQOVZSXKJEJO-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCC(=O)NC1 ZINC001575560801 949792578 /nfs/dbraw/zinc/79/25/78/949792578.db2.gz UPFQOVZSXKJEJO-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC2(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCC(=O)NC1 ZINC001575560801 949792564 /nfs/dbraw/zinc/79/25/64/949792564.db2.gz UPFQOVZSXKJEJO-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCC(=O)NC1 ZINC001575561024 949799146 /nfs/dbraw/zinc/79/91/46/949799146.db2.gz XPSCBRUNXZQWKE-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCC(=O)NC1 ZINC001575561024 949799133 /nfs/dbraw/zinc/79/91/33/949799133.db2.gz XPSCBRUNXZQWKE-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCC(=O)NC1 ZINC001575561025 949800056 /nfs/dbraw/zinc/80/00/56/949800056.db2.gz XPSCBRUNXZQWKE-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCC(=O)NC1 ZINC001575561025 949800034 /nfs/dbraw/zinc/80/00/34/949800034.db2.gz XPSCBRUNXZQWKE-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCNC(=O)C1 ZINC001575561040 949801202 /nfs/dbraw/zinc/80/12/02/949801202.db2.gz XVWSZVGUPRYDGB-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCNC(=O)C1 ZINC001575561040 949801177 /nfs/dbraw/zinc/80/11/77/949801177.db2.gz XVWSZVGUPRYDGB-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC2(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCNC(=O)C1 ZINC001575561041 949799910 /nfs/dbraw/zinc/79/99/10/949799910.db2.gz XVWSZVGUPRYDGB-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC2(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCNC(=O)C1 ZINC001575561041 949799896 /nfs/dbraw/zinc/79/98/96/949799896.db2.gz XVWSZVGUPRYDGB-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCNC(=O)C1 ZINC001575561466 949809785 /nfs/dbraw/zinc/80/97/85/949809785.db2.gz ARPWSQGMNTVIEE-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCNC(=O)C1 ZINC001575561466 949809761 /nfs/dbraw/zinc/80/97/61/949809761.db2.gz ARPWSQGMNTVIEE-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCNC(=O)C1 ZINC001575561469 949813142 /nfs/dbraw/zinc/81/31/42/949813142.db2.gz ARPWSQGMNTVIEE-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCNC(=O)C1 ZINC001575561469 949813123 /nfs/dbraw/zinc/81/31/23/949813123.db2.gz ARPWSQGMNTVIEE-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCNC1=O ZINC001575562223 949823387 /nfs/dbraw/zinc/82/33/87/949823387.db2.gz FCDNEMXGUQNMBQ-KRWDZBQOSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCNC1=O ZINC001575562223 949823366 /nfs/dbraw/zinc/82/33/66/949823366.db2.gz FCDNEMXGUQNMBQ-KRWDZBQOSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCNC1=O ZINC001575562227 949818909 /nfs/dbraw/zinc/81/89/09/949818909.db2.gz FCDNEMXGUQNMBQ-QGZVFWFLSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCNC1=O ZINC001575562227 949818885 /nfs/dbraw/zinc/81/88/85/949818885.db2.gz FCDNEMXGUQNMBQ-QGZVFWFLSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCC(=O)NC1 ZINC001575562976 949831423 /nfs/dbraw/zinc/83/14/23/949831423.db2.gz IXYMSFNBWWXHOX-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCC(=O)NC1 ZINC001575562976 949831411 /nfs/dbraw/zinc/83/14/11/949831411.db2.gz IXYMSFNBWWXHOX-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCC(=O)NC1 ZINC001575562979 949834671 /nfs/dbraw/zinc/83/46/71/949834671.db2.gz IXYMSFNBWWXHOX-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCC(=O)NC1 ZINC001575562979 949834654 /nfs/dbraw/zinc/83/46/54/949834654.db2.gz IXYMSFNBWWXHOX-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCC(=O)NC1 ZINC001575562983 949831971 /nfs/dbraw/zinc/83/19/71/949831971.db2.gz IXYMSFNBWWXHOX-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCC(=O)NC1 ZINC001575562983 949831940 /nfs/dbraw/zinc/83/19/40/949831940.db2.gz IXYMSFNBWWXHOX-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCC(=O)NC1 ZINC001575562986 949830756 /nfs/dbraw/zinc/83/07/56/949830756.db2.gz IXYMSFNBWWXHOX-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCC(=O)NC1 ZINC001575562986 949830732 /nfs/dbraw/zinc/83/07/32/949830732.db2.gz IXYMSFNBWWXHOX-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CNC(=O)C1 ZINC001575563147 949840318 /nfs/dbraw/zinc/84/03/18/949840318.db2.gz JGWQLRMGLXBXHL-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CNC(=O)C1 ZINC001575563147 949840298 /nfs/dbraw/zinc/84/02/98/949840298.db2.gz JGWQLRMGLXBXHL-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CNC(=O)C1 ZINC001575563151 949839484 /nfs/dbraw/zinc/83/94/84/949839484.db2.gz JGWQLRMGLXBXHL-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CNC(=O)C1 ZINC001575563151 949839470 /nfs/dbraw/zinc/83/94/70/949839470.db2.gz JGWQLRMGLXBXHL-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CNC(=O)C1 ZINC001575563158 949837770 /nfs/dbraw/zinc/83/77/70/949837770.db2.gz JGWQLRMGLXBXHL-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CNC(=O)C1 ZINC001575563158 949837748 /nfs/dbraw/zinc/83/77/48/949837748.db2.gz JGWQLRMGLXBXHL-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CNC(=O)C1 ZINC001575563162 949835403 /nfs/dbraw/zinc/83/54/03/949835403.db2.gz JGWQLRMGLXBXHL-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CNC(=O)C1 ZINC001575563162 949835385 /nfs/dbraw/zinc/83/53/85/949835385.db2.gz JGWQLRMGLXBXHL-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCC(=O)NC1 ZINC001575563181 949840251 /nfs/dbraw/zinc/84/02/51/949840251.db2.gz JNZOBAIHSTZSAL-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCC(=O)NC1 ZINC001575563181 949840232 /nfs/dbraw/zinc/84/02/32/949840232.db2.gz JNZOBAIHSTZSAL-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCC(=O)NC1 ZINC001575563186 949840017 /nfs/dbraw/zinc/84/00/17/949840017.db2.gz JNZOBAIHSTZSAL-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCC(=O)NC1 ZINC001575563186 949839990 /nfs/dbraw/zinc/83/99/90/949839990.db2.gz JNZOBAIHSTZSAL-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CNC(=O)C1 ZINC001575563971 949850259 /nfs/dbraw/zinc/85/02/59/949850259.db2.gz NIZMDIOVOUMSEI-KRWDZBQOSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CNC(=O)C1 ZINC001575563971 949850243 /nfs/dbraw/zinc/85/02/43/949850243.db2.gz NIZMDIOVOUMSEI-KRWDZBQOSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC2CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CNC(=O)C1 ZINC001575563973 949856676 /nfs/dbraw/zinc/85/66/76/949856676.db2.gz NIZMDIOVOUMSEI-QGZVFWFLSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC2CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CNC(=O)C1 ZINC001575563973 949856656 /nfs/dbraw/zinc/85/66/56/949856656.db2.gz NIZMDIOVOUMSEI-QGZVFWFLSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCNC(=O)C1 ZINC001575564520 949857289 /nfs/dbraw/zinc/85/72/89/949857289.db2.gz QGFWJZFAOOVSOW-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCNC(=O)C1 ZINC001575564520 949857264 /nfs/dbraw/zinc/85/72/64/949857264.db2.gz QGFWJZFAOOVSOW-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCNC(=O)C1 ZINC001575564523 949862199 /nfs/dbraw/zinc/86/21/99/949862199.db2.gz QGFWJZFAOOVSOW-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCNC(=O)C1 ZINC001575564523 949862174 /nfs/dbraw/zinc/86/21/74/949862174.db2.gz QGFWJZFAOOVSOW-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCNC(=O)C1 ZINC001575564526 949861323 /nfs/dbraw/zinc/86/13/23/949861323.db2.gz QGFWJZFAOOVSOW-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCNC(=O)C1 ZINC001575564526 949861296 /nfs/dbraw/zinc/86/12/96/949861296.db2.gz QGFWJZFAOOVSOW-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCNC(=O)C1 ZINC001575564528 949861993 /nfs/dbraw/zinc/86/19/93/949861993.db2.gz QGFWJZFAOOVSOW-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCNC(=O)C1 ZINC001575564528 949861973 /nfs/dbraw/zinc/86/19/73/949861973.db2.gz QGFWJZFAOOVSOW-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CNC(=O)C1 ZINC001575564621 949865231 /nfs/dbraw/zinc/86/52/31/949865231.db2.gz QWIBYMJBAPQCTI-KRWDZBQOSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CNC(=O)C1 ZINC001575564621 949865208 /nfs/dbraw/zinc/86/52/08/949865208.db2.gz QWIBYMJBAPQCTI-KRWDZBQOSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CNC(=O)C1 ZINC001575564624 949867917 /nfs/dbraw/zinc/86/79/17/949867917.db2.gz QWIBYMJBAPQCTI-QGZVFWFLSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CNC(=O)C1 ZINC001575564624 949867902 /nfs/dbraw/zinc/86/79/02/949867902.db2.gz QWIBYMJBAPQCTI-QGZVFWFLSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CNC(=O)C1 ZINC001575564957 949872481 /nfs/dbraw/zinc/87/24/81/949872481.db2.gz UHVGKICNLJIYGV-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CNC(=O)C1 ZINC001575564957 949872459 /nfs/dbraw/zinc/87/24/59/949872459.db2.gz UHVGKICNLJIYGV-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CNC(=O)C1 ZINC001575564958 949871686 /nfs/dbraw/zinc/87/16/86/949871686.db2.gz UHVGKICNLJIYGV-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CNC(=O)C1 ZINC001575564958 949871665 /nfs/dbraw/zinc/87/16/65/949871665.db2.gz UHVGKICNLJIYGV-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CNC(=O)C1 ZINC001575564959 949869062 /nfs/dbraw/zinc/86/90/62/949869062.db2.gz UHVGKICNLJIYGV-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CNC(=O)C1 ZINC001575564959 949869037 /nfs/dbraw/zinc/86/90/37/949869037.db2.gz UHVGKICNLJIYGV-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CNC(=O)C1 ZINC001575564960 949878594 /nfs/dbraw/zinc/87/85/94/949878594.db2.gz UHVGKICNLJIYGV-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CNC(=O)C1 ZINC001575564960 949878572 /nfs/dbraw/zinc/87/85/72/949878572.db2.gz UHVGKICNLJIYGV-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CNC(=O)C1 ZINC001575565234 949876976 /nfs/dbraw/zinc/87/69/76/949876976.db2.gz VADFLPJLJYHHFL-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CNC(=O)C1 ZINC001575565234 949876955 /nfs/dbraw/zinc/87/69/55/949876955.db2.gz VADFLPJLJYHHFL-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CNC(=O)C1 ZINC001575565236 949879451 /nfs/dbraw/zinc/87/94/51/949879451.db2.gz VADFLPJLJYHHFL-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CNC(=O)C1 ZINC001575565236 949879426 /nfs/dbraw/zinc/87/94/26/949879426.db2.gz VADFLPJLJYHHFL-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CNC(=O)C1 ZINC001575565239 949877397 /nfs/dbraw/zinc/87/73/97/949877397.db2.gz VADFLPJLJYHHFL-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CNC(=O)C1 ZINC001575565239 949877371 /nfs/dbraw/zinc/87/73/71/949877371.db2.gz VADFLPJLJYHHFL-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CNC(=O)C1 ZINC001575565243 949878664 /nfs/dbraw/zinc/87/86/64/949878664.db2.gz VADFLPJLJYHHFL-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CNC(=O)C1 ZINC001575565243 949878644 /nfs/dbraw/zinc/87/86/44/949878644.db2.gz VADFLPJLJYHHFL-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC(=O)NC1 ZINC001575566042 949891158 /nfs/dbraw/zinc/89/11/58/949891158.db2.gz ZXWQJENPWVNGEE-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC(=O)NC1 ZINC001575566042 949891135 /nfs/dbraw/zinc/89/11/35/949891135.db2.gz ZXWQJENPWVNGEE-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC(=O)NC1 ZINC001575566043 949892087 /nfs/dbraw/zinc/89/20/87/949892087.db2.gz ZXWQJENPWVNGEE-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC(=O)NC1 ZINC001575566043 949892065 /nfs/dbraw/zinc/89/20/65/949892065.db2.gz ZXWQJENPWVNGEE-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC(=O)NC1 ZINC001575566044 949895233 /nfs/dbraw/zinc/89/52/33/949895233.db2.gz ZXWQJENPWVNGEE-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC(=O)NC1 ZINC001575566044 949895203 /nfs/dbraw/zinc/89/52/03/949895203.db2.gz ZXWQJENPWVNGEE-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC(=O)NC1 ZINC001575566045 949894527 /nfs/dbraw/zinc/89/45/27/949894527.db2.gz ZXWQJENPWVNGEE-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC(=O)NC1 ZINC001575566045 949894511 /nfs/dbraw/zinc/89/45/11/949894511.db2.gz ZXWQJENPWVNGEE-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575568943 949903424 /nfs/dbraw/zinc/90/34/24/949903424.db2.gz DTHKBKYGYKKYDR-BDJLRTHQSA-N -1 3 391.457 -0.076 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575568943 949903416 /nfs/dbraw/zinc/90/34/16/949903416.db2.gz DTHKBKYGYKKYDR-BDJLRTHQSA-N -1 3 391.457 -0.076 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(c3ncccc3-c3nn[n-]n3)C2)CCCS1(=O)=O ZINC001575568944 949905266 /nfs/dbraw/zinc/90/52/66/949905266.db2.gz DTHKBKYGYKKYDR-BZNIZROVSA-N -1 3 391.457 -0.076 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(c3ncccc3-c3nnn[n-]3)C2)CCCS1(=O)=O ZINC001575568944 949905250 /nfs/dbraw/zinc/90/52/50/949905250.db2.gz DTHKBKYGYKKYDR-BZNIZROVSA-N -1 3 391.457 -0.076 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCNC(=O)C1 ZINC001575569130 949909706 /nfs/dbraw/zinc/90/97/06/949909706.db2.gz GRWHYYVNCYAHQF-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCNC(=O)C1 ZINC001575569130 949909687 /nfs/dbraw/zinc/90/96/87/949909687.db2.gz GRWHYYVNCYAHQF-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCNC(=O)C1 ZINC001575569131 949909899 /nfs/dbraw/zinc/90/98/99/949909899.db2.gz GRWHYYVNCYAHQF-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCNC(=O)C1 ZINC001575569131 949909876 /nfs/dbraw/zinc/90/98/76/949909876.db2.gz GRWHYYVNCYAHQF-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCNC(=O)C1 ZINC001575569132 949907021 /nfs/dbraw/zinc/90/70/21/949907021.db2.gz GRWHYYVNCYAHQF-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCNC(=O)C1 ZINC001575569132 949907007 /nfs/dbraw/zinc/90/70/07/949907007.db2.gz GRWHYYVNCYAHQF-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCNC(=O)C1 ZINC001575569133 949907349 /nfs/dbraw/zinc/90/73/49/949907349.db2.gz GRWHYYVNCYAHQF-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCNC(=O)C1 ZINC001575569133 949907336 /nfs/dbraw/zinc/90/73/36/949907336.db2.gz GRWHYYVNCYAHQF-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575571767 949957121 /nfs/dbraw/zinc/95/71/21/949957121.db2.gz AAMJIHOJANASNH-BDJLRTHQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575571767 949957101 /nfs/dbraw/zinc/95/71/01/949957101.db2.gz AAMJIHOJANASNH-BDJLRTHQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575571768 949957953 /nfs/dbraw/zinc/95/79/53/949957953.db2.gz AAMJIHOJANASNH-BZNIZROVSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575571768 949957937 /nfs/dbraw/zinc/95/79/37/949957937.db2.gz AAMJIHOJANASNH-BZNIZROVSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575571769 949957744 /nfs/dbraw/zinc/95/77/44/949957744.db2.gz AAMJIHOJANASNH-MEDUHNTESA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575571769 949957729 /nfs/dbraw/zinc/95/77/29/949957729.db2.gz AAMJIHOJANASNH-MEDUHNTESA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575571770 949960901 /nfs/dbraw/zinc/96/09/01/949960901.db2.gz AAMJIHOJANASNH-ZBEGNZNMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575571770 949960881 /nfs/dbraw/zinc/96/08/81/949960881.db2.gz AAMJIHOJANASNH-ZBEGNZNMSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001575571828 949964603 /nfs/dbraw/zinc/96/46/03/949964603.db2.gz BBXYONJISJRBAK-SECBINFHSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001575571828 949964588 /nfs/dbraw/zinc/96/45/88/949964588.db2.gz BBXYONJISJRBAK-SECBINFHSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001575571829 949963825 /nfs/dbraw/zinc/96/38/25/949963825.db2.gz BBXYONJISJRBAK-VIFPVBQESA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001575571829 949963805 /nfs/dbraw/zinc/96/38/05/949963805.db2.gz BBXYONJISJRBAK-VIFPVBQESA-N -1 3 383.359 -0.163 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575572337 949974552 /nfs/dbraw/zinc/97/45/52/949974552.db2.gz GENPWKMLSGQBOS-BDJLRTHQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575572337 949974535 /nfs/dbraw/zinc/97/45/35/949974535.db2.gz GENPWKMLSGQBOS-BDJLRTHQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575572338 949975818 /nfs/dbraw/zinc/97/58/18/949975818.db2.gz GENPWKMLSGQBOS-BZNIZROVSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575572338 949975802 /nfs/dbraw/zinc/97/58/02/949975802.db2.gz GENPWKMLSGQBOS-BZNIZROVSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575572339 949972946 /nfs/dbraw/zinc/97/29/46/949972946.db2.gz GENPWKMLSGQBOS-MEDUHNTESA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575572339 949972931 /nfs/dbraw/zinc/97/29/31/949972931.db2.gz GENPWKMLSGQBOS-MEDUHNTESA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575572340 949972514 /nfs/dbraw/zinc/97/25/14/949972514.db2.gz GENPWKMLSGQBOS-ZBEGNZNMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575572340 949972494 /nfs/dbraw/zinc/97/24/94/949972494.db2.gz GENPWKMLSGQBOS-ZBEGNZNMSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575572630 949977566 /nfs/dbraw/zinc/97/75/66/949977566.db2.gz HPYGRHNKHLGUPC-LLVKDONJSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575572630 949977553 /nfs/dbraw/zinc/97/75/53/949977553.db2.gz HPYGRHNKHLGUPC-LLVKDONJSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575572631 949977062 /nfs/dbraw/zinc/97/70/62/949977062.db2.gz HPYGRHNKHLGUPC-NSHDSACASA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575572631 949977039 /nfs/dbraw/zinc/97/70/39/949977039.db2.gz HPYGRHNKHLGUPC-NSHDSACASA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575572643 949984851 /nfs/dbraw/zinc/98/48/51/949984851.db2.gz HZLOHYXZGBGUGN-BMLIUANNSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575572643 949984837 /nfs/dbraw/zinc/98/48/37/949984837.db2.gz HZLOHYXZGBGUGN-BMLIUANNSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575572644 949983332 /nfs/dbraw/zinc/98/33/32/949983332.db2.gz HZLOHYXZGBGUGN-BTDLBPIBSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575572644 949983310 /nfs/dbraw/zinc/98/33/10/949983310.db2.gz HZLOHYXZGBGUGN-BTDLBPIBSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575572645 949982216 /nfs/dbraw/zinc/98/22/16/949982216.db2.gz HZLOHYXZGBGUGN-DYZYQPBXSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575572645 949982200 /nfs/dbraw/zinc/98/22/00/949982200.db2.gz HZLOHYXZGBGUGN-DYZYQPBXSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@]1(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575572646 949984483 /nfs/dbraw/zinc/98/44/83/949984483.db2.gz HZLOHYXZGBGUGN-QGHHPUGFSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@]1(C(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575572646 949984465 /nfs/dbraw/zinc/98/44/65/949984465.db2.gz HZLOHYXZGBGUGN-QGHHPUGFSA-N -1 3 391.407 -0.189 20 0 GBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC(F)(F)C1 ZINC001575573513 949996245 /nfs/dbraw/zinc/99/62/45/949996245.db2.gz MRFUHYCKZCRUPW-SECBINFHSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC(F)(F)C1 ZINC001575573513 949996229 /nfs/dbraw/zinc/99/62/29/949996229.db2.gz MRFUHYCKZCRUPW-SECBINFHSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC(F)(F)C1 ZINC001575573514 949999279 /nfs/dbraw/zinc/99/92/79/949999279.db2.gz MRFUHYCKZCRUPW-VIFPVBQESA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC(F)(F)C1 ZINC001575573514 949999264 /nfs/dbraw/zinc/99/92/64/949999264.db2.gz MRFUHYCKZCRUPW-VIFPVBQESA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575573537 949995894 /nfs/dbraw/zinc/99/58/94/949995894.db2.gz MVIKMFPTOLZEAH-LLVKDONJSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575573537 949995880 /nfs/dbraw/zinc/99/58/80/949995880.db2.gz MVIKMFPTOLZEAH-LLVKDONJSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOCC1 ZINC001575573539 949999475 /nfs/dbraw/zinc/99/94/75/949999475.db2.gz MVIKMFPTOLZEAH-NSHDSACASA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOCC1 ZINC001575573539 949999453 /nfs/dbraw/zinc/99/94/53/949999453.db2.gz MVIKMFPTOLZEAH-NSHDSACASA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001575573849 950009348 /nfs/dbraw/zinc/00/93/48/950009348.db2.gz PSPUOTYZFMJQNJ-JTQLQIEISA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001575573849 950009330 /nfs/dbraw/zinc/00/93/30/950009330.db2.gz PSPUOTYZFMJQNJ-JTQLQIEISA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001575573851 950006965 /nfs/dbraw/zinc/00/69/65/950006965.db2.gz PSPUOTYZFMJQNJ-SNVBAGLBSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001575573851 950006945 /nfs/dbraw/zinc/00/69/45/950006945.db2.gz PSPUOTYZFMJQNJ-SNVBAGLBSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575574090 950014014 /nfs/dbraw/zinc/01/40/14/950014014.db2.gz RTQQBJSSWBVXEW-HWPZZCPQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575574090 950013988 /nfs/dbraw/zinc/01/39/88/950013988.db2.gz RTQQBJSSWBVXEW-HWPZZCPQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575574092 950013114 /nfs/dbraw/zinc/01/31/14/950013114.db2.gz RTQQBJSSWBVXEW-MGPLVRAMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575574092 950013088 /nfs/dbraw/zinc/01/30/88/950013088.db2.gz RTQQBJSSWBVXEW-MGPLVRAMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575574094 950014562 /nfs/dbraw/zinc/01/45/62/950014562.db2.gz RTQQBJSSWBVXEW-QFYYESIMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575574094 950014538 /nfs/dbraw/zinc/01/45/38/950014538.db2.gz RTQQBJSSWBVXEW-QFYYESIMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575574096 950015303 /nfs/dbraw/zinc/01/53/03/950015303.db2.gz RTQQBJSSWBVXEW-QLJPJBMISA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575574096 950015282 /nfs/dbraw/zinc/01/52/82/950015282.db2.gz RTQQBJSSWBVXEW-QLJPJBMISA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)CCC(=O)NC1 ZINC001575574350 950019195 /nfs/dbraw/zinc/01/91/95/950019195.db2.gz UBJVCFFHYGFUEQ-HWPZZCPQSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@]1(C(=O)NC[C@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)CCC(=O)NC1 ZINC001575574350 950019171 /nfs/dbraw/zinc/01/91/71/950019171.db2.gz UBJVCFFHYGFUEQ-HWPZZCPQSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)CCC(=O)NC1 ZINC001575574351 950016868 /nfs/dbraw/zinc/01/68/68/950016868.db2.gz UBJVCFFHYGFUEQ-MGPLVRAMSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)CCC(=O)NC1 ZINC001575574351 950016849 /nfs/dbraw/zinc/01/68/49/950016849.db2.gz UBJVCFFHYGFUEQ-MGPLVRAMSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)CCC(=O)NC1 ZINC001575574352 950019051 /nfs/dbraw/zinc/01/90/51/950019051.db2.gz UBJVCFFHYGFUEQ-QFYYESIMSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)CCC(=O)NC1 ZINC001575574352 950019029 /nfs/dbraw/zinc/01/90/29/950019029.db2.gz UBJVCFFHYGFUEQ-QFYYESIMSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](CO)Nc2ncc(-c3nn[n-]n3)cc2F)CCC(=O)NC1 ZINC001575574353 950019327 /nfs/dbraw/zinc/01/93/27/950019327.db2.gz UBJVCFFHYGFUEQ-QLJPJBMISA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](CO)Nc2ncc(-c3nnn[n-]3)cc2F)CCC(=O)NC1 ZINC001575574353 950019303 /nfs/dbraw/zinc/01/93/03/950019303.db2.gz UBJVCFFHYGFUEQ-QLJPJBMISA-N -1 3 392.395 -0.794 20 0 GBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC(F)(F)C1 ZINC001575574398 950016010 /nfs/dbraw/zinc/01/60/10/950016010.db2.gz VHUMSRICPHTBKV-MRVPVSSYSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC(F)(F)C1 ZINC001575574398 950015989 /nfs/dbraw/zinc/01/59/89/950015989.db2.gz VHUMSRICPHTBKV-MRVPVSSYSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC(F)(F)C1 ZINC001575574399 950017761 /nfs/dbraw/zinc/01/77/61/950017761.db2.gz VHUMSRICPHTBKV-QMMMGPOBSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@@H](CO)NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC(F)(F)C1 ZINC001575574399 950017742 /nfs/dbraw/zinc/01/77/42/950017742.db2.gz VHUMSRICPHTBKV-QMMMGPOBSA-N -1 3 383.359 -0.163 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CCNC(=O)C1 ZINC001575574816 950029854 /nfs/dbraw/zinc/02/98/54/950029854.db2.gz AFHCASFIZZLGKT-HWPZZCPQSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCNC(=O)C1 ZINC001575574816 950029835 /nfs/dbraw/zinc/02/98/35/950029835.db2.gz AFHCASFIZZLGKT-HWPZZCPQSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CCNC(=O)C1 ZINC001575574817 950032356 /nfs/dbraw/zinc/03/23/56/950032356.db2.gz AFHCASFIZZLGKT-MGPLVRAMSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCNC(=O)C1 ZINC001575574817 950032333 /nfs/dbraw/zinc/03/23/33/950032333.db2.gz AFHCASFIZZLGKT-MGPLVRAMSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CCNC(=O)C1 ZINC001575574818 950031050 /nfs/dbraw/zinc/03/10/50/950031050.db2.gz AFHCASFIZZLGKT-QFYYESIMSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCNC(=O)C1 ZINC001575574818 950031027 /nfs/dbraw/zinc/03/10/27/950031027.db2.gz AFHCASFIZZLGKT-QFYYESIMSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CCNC(=O)C1 ZINC001575574819 950030000 /nfs/dbraw/zinc/03/00/00/950030000.db2.gz AFHCASFIZZLGKT-QLJPJBMISA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCNC(=O)C1 ZINC001575574819 950029977 /nfs/dbraw/zinc/02/99/77/950029977.db2.gz AFHCASFIZZLGKT-QLJPJBMISA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@]1(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCNC(=O)C1 ZINC001575574833 950033078 /nfs/dbraw/zinc/03/30/78/950033078.db2.gz ANYMPVZOUALIGP-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NCC2(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCNC(=O)C1 ZINC001575574833 950033059 /nfs/dbraw/zinc/03/30/59/950033059.db2.gz ANYMPVZOUALIGP-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCNC(=O)C1 ZINC001575574834 950031840 /nfs/dbraw/zinc/03/18/40/950031840.db2.gz ANYMPVZOUALIGP-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NCC2(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCNC(=O)C1 ZINC001575574834 950031817 /nfs/dbraw/zinc/03/18/17/950031817.db2.gz ANYMPVZOUALIGP-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCC(=O)NC1 ZINC001575574849 950029771 /nfs/dbraw/zinc/02/97/71/950029771.db2.gz AVDCCAOPJLLEHI-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NCC2(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCC(=O)NC1 ZINC001575574849 950029754 /nfs/dbraw/zinc/02/97/54/950029754.db2.gz AVDCCAOPJLLEHI-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NCC2(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)CCC(=O)NC1 ZINC001575574851 950032296 /nfs/dbraw/zinc/03/22/96/950032296.db2.gz AVDCCAOPJLLEHI-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NCC2(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)CCC(=O)NC1 ZINC001575574851 950032271 /nfs/dbraw/zinc/03/22/71/950032271.db2.gz AVDCCAOPJLLEHI-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575575068 950041840 /nfs/dbraw/zinc/04/18/40/950041840.db2.gz DHPMYNXMBPABFH-BMLIUANNSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575575068 950041820 /nfs/dbraw/zinc/04/18/20/950041820.db2.gz DHPMYNXMBPABFH-BMLIUANNSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575575069 950041393 /nfs/dbraw/zinc/04/13/93/950041393.db2.gz DHPMYNXMBPABFH-BTDLBPIBSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575575069 950041370 /nfs/dbraw/zinc/04/13/70/950041370.db2.gz DHPMYNXMBPABFH-BTDLBPIBSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575575070 950040653 /nfs/dbraw/zinc/04/06/53/950040653.db2.gz DHPMYNXMBPABFH-DYZYQPBXSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575575070 950040630 /nfs/dbraw/zinc/04/06/30/950040630.db2.gz DHPMYNXMBPABFH-DYZYQPBXSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nn[n-]n2)CCC(=O)NC1 ZINC001575575071 950041017 /nfs/dbraw/zinc/04/10/17/950041017.db2.gz DHPMYNXMBPABFH-QGHHPUGFSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nnn[n-]2)CCC(=O)NC1 ZINC001575575071 950040996 /nfs/dbraw/zinc/04/09/96/950040996.db2.gz DHPMYNXMBPABFH-QGHHPUGFSA-N -1 3 391.407 -0.189 20 0 GBADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC(F)(F)C1 ZINC001575575072 950039674 /nfs/dbraw/zinc/03/96/74/950039674.db2.gz DHYBLNYHJZKUAP-SECBINFHSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC(F)(F)C1 ZINC001575575072 950039651 /nfs/dbraw/zinc/03/96/51/950039651.db2.gz DHYBLNYHJZKUAP-SECBINFHSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC(F)(F)C1 ZINC001575575073 950041661 /nfs/dbraw/zinc/04/16/61/950041661.db2.gz DHYBLNYHJZKUAP-VIFPVBQESA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC(F)(F)C1 ZINC001575575073 950041639 /nfs/dbraw/zinc/04/16/39/950041639.db2.gz DHYBLNYHJZKUAP-VIFPVBQESA-N -1 3 383.359 -0.163 20 0 GBADHM C[C@]1(C(=O)NCC2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCNC(=O)C1 ZINC001575575494 950053112 /nfs/dbraw/zinc/05/31/12/950053112.db2.gz JWKSXWIEMIMFLY-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NCC2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCNC(=O)C1 ZINC001575575494 950053089 /nfs/dbraw/zinc/05/30/89/950053089.db2.gz JWKSXWIEMIMFLY-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NCC2(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)CCNC(=O)C1 ZINC001575575496 950049106 /nfs/dbraw/zinc/04/91/06/950049106.db2.gz JWKSXWIEMIMFLY-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NCC2(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)CCNC(=O)C1 ZINC001575575496 950049079 /nfs/dbraw/zinc/04/90/79/950049079.db2.gz JWKSXWIEMIMFLY-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575575706 950058521 /nfs/dbraw/zinc/05/85/21/950058521.db2.gz KSOQPALVDQHYTK-BDJLRTHQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575575706 950058493 /nfs/dbraw/zinc/05/84/93/950058493.db2.gz KSOQPALVDQHYTK-BDJLRTHQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575575709 950056862 /nfs/dbraw/zinc/05/68/62/950056862.db2.gz KSOQPALVDQHYTK-BZNIZROVSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575575709 950056838 /nfs/dbraw/zinc/05/68/38/950056838.db2.gz KSOQPALVDQHYTK-BZNIZROVSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575575711 950054152 /nfs/dbraw/zinc/05/41/52/950054152.db2.gz KSOQPALVDQHYTK-MEDUHNTESA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575575711 950054122 /nfs/dbraw/zinc/05/41/22/950054122.db2.gz KSOQPALVDQHYTK-MEDUHNTESA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575575713 950056407 /nfs/dbraw/zinc/05/64/07/950056407.db2.gz KSOQPALVDQHYTK-ZBEGNZNMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575575713 950056385 /nfs/dbraw/zinc/05/63/85/950056385.db2.gz KSOQPALVDQHYTK-ZBEGNZNMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CCC(=O)NC1 ZINC001575575835 950062228 /nfs/dbraw/zinc/06/22/28/950062228.db2.gz MGAOCPFNZCPSFU-HWPZZCPQSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCC(=O)NC1 ZINC001575575835 950062207 /nfs/dbraw/zinc/06/22/07/950062207.db2.gz MGAOCPFNZCPSFU-HWPZZCPQSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CCC(=O)NC1 ZINC001575575837 950059035 /nfs/dbraw/zinc/05/90/35/950059035.db2.gz MGAOCPFNZCPSFU-MGPLVRAMSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCC(=O)NC1 ZINC001575575837 950059012 /nfs/dbraw/zinc/05/90/12/950059012.db2.gz MGAOCPFNZCPSFU-MGPLVRAMSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CCC(=O)NC1 ZINC001575575839 950063427 /nfs/dbraw/zinc/06/34/27/950063427.db2.gz MGAOCPFNZCPSFU-QFYYESIMSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCC(=O)NC1 ZINC001575575839 950063406 /nfs/dbraw/zinc/06/34/06/950063406.db2.gz MGAOCPFNZCPSFU-QFYYESIMSA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nn[n-]n3)cc2F)CCC(=O)NC1 ZINC001575575841 950059343 /nfs/dbraw/zinc/05/93/43/950059343.db2.gz MGAOCPFNZCPSFU-QLJPJBMISA-N -1 3 392.395 -0.794 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNc2ncc(-c3nnn[n-]3)cc2F)CCC(=O)NC1 ZINC001575575841 950059321 /nfs/dbraw/zinc/05/93/21/950059321.db2.gz MGAOCPFNZCPSFU-QLJPJBMISA-N -1 3 392.395 -0.794 20 0 GBADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575575865 950059887 /nfs/dbraw/zinc/05/98/87/950059887.db2.gz MLFRWQBVELFUGJ-LLVKDONJSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575575865 950059866 /nfs/dbraw/zinc/05/98/66/950059866.db2.gz MLFRWQBVELFUGJ-LLVKDONJSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575575867 950059783 /nfs/dbraw/zinc/05/97/83/950059783.db2.gz MLFRWQBVELFUGJ-NSHDSACASA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575575867 950059767 /nfs/dbraw/zinc/05/97/67/950059767.db2.gz MLFRWQBVELFUGJ-NSHDSACASA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001575575873 950063125 /nfs/dbraw/zinc/06/31/25/950063125.db2.gz MRGIVOCPNSKTCJ-SECBINFHSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001575575873 950063101 /nfs/dbraw/zinc/06/31/01/950063101.db2.gz MRGIVOCPNSKTCJ-SECBINFHSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC(F)(F)C1 ZINC001575575875 950060099 /nfs/dbraw/zinc/06/00/99/950060099.db2.gz MRGIVOCPNSKTCJ-VIFPVBQESA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC(F)(F)C1 ZINC001575575875 950060072 /nfs/dbraw/zinc/06/00/72/950060072.db2.gz MRGIVOCPNSKTCJ-VIFPVBQESA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC(F)(F)C1 ZINC001575576154 950067581 /nfs/dbraw/zinc/06/75/81/950067581.db2.gz ONMHMXVJATUBCR-MRVPVSSYSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC(F)(F)C1 ZINC001575576154 950067563 /nfs/dbraw/zinc/06/75/63/950067563.db2.gz ONMHMXVJATUBCR-MRVPVSSYSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC(F)(F)C1 ZINC001575576156 950063873 /nfs/dbraw/zinc/06/38/73/950063873.db2.gz ONMHMXVJATUBCR-QMMMGPOBSA-N -1 3 383.359 -0.163 20 0 GBADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC(F)(F)C1 ZINC001575576156 950063851 /nfs/dbraw/zinc/06/38/51/950063851.db2.gz ONMHMXVJATUBCR-QMMMGPOBSA-N -1 3 383.359 -0.163 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575576449 950068982 /nfs/dbraw/zinc/06/89/82/950068982.db2.gz POBWEZSFULCTCT-BMLIUANNSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575576449 950068961 /nfs/dbraw/zinc/06/89/61/950068961.db2.gz POBWEZSFULCTCT-BMLIUANNSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575576452 950072354 /nfs/dbraw/zinc/07/23/54/950072354.db2.gz POBWEZSFULCTCT-BTDLBPIBSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575576452 950072335 /nfs/dbraw/zinc/07/23/35/950072335.db2.gz POBWEZSFULCTCT-BTDLBPIBSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575576453 950070128 /nfs/dbraw/zinc/07/01/28/950070128.db2.gz POBWEZSFULCTCT-DYZYQPBXSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNc2cccc(F)c2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575576453 950070105 /nfs/dbraw/zinc/07/01/05/950070105.db2.gz POBWEZSFULCTCT-DYZYQPBXSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nn[n-]n2)CCNC(=O)C1 ZINC001575576456 950071539 /nfs/dbraw/zinc/07/15/39/950071539.db2.gz POBWEZSFULCTCT-QGHHPUGFSA-N -1 3 391.407 -0.189 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNc2cccc(F)c2-c2nnn[n-]2)CCNC(=O)C1 ZINC001575576456 950071520 /nfs/dbraw/zinc/07/15/20/950071520.db2.gz POBWEZSFULCTCT-QGHHPUGFSA-N -1 3 391.407 -0.189 20 0 GBADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001575576509 950071120 /nfs/dbraw/zinc/07/11/20/950071120.db2.gz QGZIMTLWMXGVAW-JTQLQIEISA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001575576509 950071095 /nfs/dbraw/zinc/07/10/95/950071095.db2.gz QGZIMTLWMXGVAW-JTQLQIEISA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001575576511 950071758 /nfs/dbraw/zinc/07/17/58/950071758.db2.gz QGZIMTLWMXGVAW-SNVBAGLBSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001575576511 950071740 /nfs/dbraw/zinc/07/17/40/950071740.db2.gz QGZIMTLWMXGVAW-SNVBAGLBSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCC(=O)NC1 ZINC001575576933 950074109 /nfs/dbraw/zinc/07/41/09/950074109.db2.gz TXKIEJYZPYIWKN-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCC(=O)NC1 ZINC001575576933 950074086 /nfs/dbraw/zinc/07/40/86/950074086.db2.gz TXKIEJYZPYIWKN-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCC(=O)NC1 ZINC001575576935 950075366 /nfs/dbraw/zinc/07/53/66/950075366.db2.gz TXKIEJYZPYIWKN-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCC(=O)NC1 ZINC001575576935 950075348 /nfs/dbraw/zinc/07/53/48/950075348.db2.gz TXKIEJYZPYIWKN-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575577464 950086744 /nfs/dbraw/zinc/08/67/44/950086744.db2.gz VRLASEMLNQUVSV-HWPZZCPQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575577464 950086723 /nfs/dbraw/zinc/08/67/23/950086723.db2.gz VRLASEMLNQUVSV-HWPZZCPQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575577466 950084757 /nfs/dbraw/zinc/08/47/57/950084757.db2.gz VRLASEMLNQUVSV-MGPLVRAMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575577466 950084738 /nfs/dbraw/zinc/08/47/38/950084738.db2.gz VRLASEMLNQUVSV-MGPLVRAMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575577468 950082886 /nfs/dbraw/zinc/08/28/86/950082886.db2.gz VRLASEMLNQUVSV-QFYYESIMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575577468 950082867 /nfs/dbraw/zinc/08/28/67/950082867.db2.gz VRLASEMLNQUVSV-QFYYESIMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575577471 950085798 /nfs/dbraw/zinc/08/57/98/950085798.db2.gz VRLASEMLNQUVSV-QLJPJBMISA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575577471 950085773 /nfs/dbraw/zinc/08/57/73/950085773.db2.gz VRLASEMLNQUVSV-QLJPJBMISA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCNC(=O)C1 ZINC001575577564 950084697 /nfs/dbraw/zinc/08/46/97/950084697.db2.gz WZOYXIMDDGDJCS-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCNC(=O)C1 ZINC001575577564 950084674 /nfs/dbraw/zinc/08/46/74/950084674.db2.gz WZOYXIMDDGDJCS-INIZCTEOSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)CCNC(=O)C1 ZINC001575577566 950086413 /nfs/dbraw/zinc/08/64/13/950086413.db2.gz WZOYXIMDDGDJCS-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NCC2(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)CC2)CCNC(=O)C1 ZINC001575577566 950086395 /nfs/dbraw/zinc/08/63/95/950086395.db2.gz WZOYXIMDDGDJCS-MRXNPFEDSA-N -1 3 386.416 -0.510 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575577584 950086882 /nfs/dbraw/zinc/08/68/82/950086882.db2.gz XGVXPIPGZGJMEL-BDJLRTHQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575577584 950086862 /nfs/dbraw/zinc/08/68/62/950086862.db2.gz XGVXPIPGZGJMEL-BDJLRTHQSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575577585 950086072 /nfs/dbraw/zinc/08/60/72/950086072.db2.gz XGVXPIPGZGJMEL-BZNIZROVSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575577585 950086050 /nfs/dbraw/zinc/08/60/50/950086050.db2.gz XGVXPIPGZGJMEL-BZNIZROVSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575577586 950084200 /nfs/dbraw/zinc/08/42/00/950084200.db2.gz XGVXPIPGZGJMEL-MEDUHNTESA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575577586 950084181 /nfs/dbraw/zinc/08/41/81/950084181.db2.gz XGVXPIPGZGJMEL-MEDUHNTESA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575577587 950086951 /nfs/dbraw/zinc/08/69/51/950086951.db2.gz XGVXPIPGZGJMEL-ZBEGNZNMSA-N -1 3 377.405 -0.782 20 0 GBADHM C[C@]1(C(=O)NC[C@@H](O)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575577587 950086929 /nfs/dbraw/zinc/08/69/29/950086929.db2.gz XGVXPIPGZGJMEL-ZBEGNZNMSA-N -1 3 377.405 -0.782 20 0 GBADHM CC1(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOCC1 ZINC001575582293 950111120 /nfs/dbraw/zinc/11/11/20/950111120.db2.gz HYPIMHCEODSBRG-UHFFFAOYSA-N -1 3 389.416 -0.685 20 0 GBADHM CC1(C(=O)NCC2(O)CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOCC1 ZINC001575582293 950111104 /nfs/dbraw/zinc/11/11/04/950111104.db2.gz HYPIMHCEODSBRG-UHFFFAOYSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575582556 950119423 /nfs/dbraw/zinc/11/94/23/950119423.db2.gz JVJGXAAHNPLGMY-INIZCTEOSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575582556 950119408 /nfs/dbraw/zinc/11/94/08/950119408.db2.gz JVJGXAAHNPLGMY-INIZCTEOSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCCOC1 ZINC001575582557 950121030 /nfs/dbraw/zinc/12/10/30/950121030.db2.gz JVJGXAAHNPLGMY-MRXNPFEDSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCCOC1 ZINC001575582557 950121018 /nfs/dbraw/zinc/12/10/18/950121018.db2.gz JVJGXAAHNPLGMY-MRXNPFEDSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575582602 950119789 /nfs/dbraw/zinc/11/97/89/950119789.db2.gz LEVOIPNXZUZHRF-DLBZAZTESA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575582602 950119774 /nfs/dbraw/zinc/11/97/74/950119774.db2.gz LEVOIPNXZUZHRF-DLBZAZTESA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575582603 950121405 /nfs/dbraw/zinc/12/14/05/950121405.db2.gz LEVOIPNXZUZHRF-IAGOWNOFSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575582603 950121392 /nfs/dbraw/zinc/12/13/92/950121392.db2.gz LEVOIPNXZUZHRF-IAGOWNOFSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575582604 950119644 /nfs/dbraw/zinc/11/96/44/950119644.db2.gz LEVOIPNXZUZHRF-IRXDYDNUSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575582604 950119630 /nfs/dbraw/zinc/11/96/30/950119630.db2.gz LEVOIPNXZUZHRF-IRXDYDNUSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCOC1 ZINC001575582605 950121708 /nfs/dbraw/zinc/12/17/08/950121708.db2.gz LEVOIPNXZUZHRF-SJORKVTESA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCOC1 ZINC001575582605 950121695 /nfs/dbraw/zinc/12/16/95/950121695.db2.gz LEVOIPNXZUZHRF-SJORKVTESA-N -1 3 389.416 -0.685 20 0 GBADHM CC1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC001575582674 950125209 /nfs/dbraw/zinc/12/52/09/950125209.db2.gz MAHNRTYFZMFKHF-UHFFFAOYSA-N -1 3 389.416 -0.685 20 0 GBADHM CC1(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC001575582674 950125203 /nfs/dbraw/zinc/12/52/03/950125203.db2.gz MAHNRTYFZMFKHF-UHFFFAOYSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575583445 950147868 /nfs/dbraw/zinc/14/78/68/950147868.db2.gz RKDNJTIPBKJTPF-DLBZAZTESA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575583445 950147851 /nfs/dbraw/zinc/14/78/51/950147851.db2.gz RKDNJTIPBKJTPF-DLBZAZTESA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575583449 950146480 /nfs/dbraw/zinc/14/64/80/950146480.db2.gz RKDNJTIPBKJTPF-IAGOWNOFSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575583449 950146464 /nfs/dbraw/zinc/14/64/64/950146464.db2.gz RKDNJTIPBKJTPF-IAGOWNOFSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575583453 950146116 /nfs/dbraw/zinc/14/61/16/950146116.db2.gz RKDNJTIPBKJTPF-IRXDYDNUSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575583453 950146099 /nfs/dbraw/zinc/14/60/99/950146099.db2.gz RKDNJTIPBKJTPF-IRXDYDNUSA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CCOC1 ZINC001575583457 950146335 /nfs/dbraw/zinc/14/63/35/950146335.db2.gz RKDNJTIPBKJTPF-SJORKVTESA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CCOC1 ZINC001575583457 950146323 /nfs/dbraw/zinc/14/63/23/950146323.db2.gz RKDNJTIPBKJTPF-SJORKVTESA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575583849 950157746 /nfs/dbraw/zinc/15/77/46/950157746.db2.gz VFPNKKLQBLBFSE-DLBZAZTESA-N -1 3 391.407 -0.115 20 0 GBADHM C[C@]1(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575583849 950157734 /nfs/dbraw/zinc/15/77/34/950157734.db2.gz VFPNKKLQBLBFSE-DLBZAZTESA-N -1 3 391.407 -0.115 20 0 GBADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575583853 950159745 /nfs/dbraw/zinc/15/97/45/950159745.db2.gz VFPNKKLQBLBFSE-IAGOWNOFSA-N -1 3 391.407 -0.115 20 0 GBADHM C[C@@]1(C(=O)NC[C@]2(O)CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575583853 950159728 /nfs/dbraw/zinc/15/97/28/950159728.db2.gz VFPNKKLQBLBFSE-IAGOWNOFSA-N -1 3 391.407 -0.115 20 0 GBADHM C[C@]1(C(=O)NC[C@@]2(O)CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575583855 950158171 /nfs/dbraw/zinc/15/81/71/950158171.db2.gz VFPNKKLQBLBFSE-IRXDYDNUSA-N -1 3 391.407 -0.115 20 0 GBADHM C[C@]1(C(=O)NC[C@@]2(O)CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575583855 950158148 /nfs/dbraw/zinc/15/81/48/950158148.db2.gz VFPNKKLQBLBFSE-IRXDYDNUSA-N -1 3 391.407 -0.115 20 0 GBADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(c3ncc(-c4nn[n-]n4)cc3F)C2)CCOC1 ZINC001575583858 950157474 /nfs/dbraw/zinc/15/74/74/950157474.db2.gz VFPNKKLQBLBFSE-SJORKVTESA-N -1 3 391.407 -0.115 20 0 GBADHM C[C@@]1(C(=O)NC[C@@]2(O)CCN(c3ncc(-c4nnn[n-]4)cc3F)C2)CCOC1 ZINC001575583858 950157459 /nfs/dbraw/zinc/15/74/59/950157459.db2.gz VFPNKKLQBLBFSE-SJORKVTESA-N -1 3 391.407 -0.115 20 0 GBADHM C[C@]1(C(=O)NCC2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CNC(=O)C1 ZINC001575584033 950158398 /nfs/dbraw/zinc/15/83/98/950158398.db2.gz OLEBAGOJAFXKPT-DAJQUTISSA-N -1 3 386.416 -0.654 20 0 GBADHM C[C@]1(C(=O)NCC2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CNC(=O)C1 ZINC001575584033 950158381 /nfs/dbraw/zinc/15/83/81/950158381.db2.gz OLEBAGOJAFXKPT-DAJQUTISSA-N -1 3 386.416 -0.654 20 0 GBADHM C[C@@]1(C(=O)NCC2CC(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CNC(=O)C1 ZINC001575584034 950158001 /nfs/dbraw/zinc/15/80/01/950158001.db2.gz OLEBAGOJAFXKPT-MQXQTZMCSA-N -1 3 386.416 -0.654 20 0 GBADHM C[C@@]1(C(=O)NCC2CC(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CNC(=O)C1 ZINC001575584034 950157988 /nfs/dbraw/zinc/15/79/88/950157988.db2.gz OLEBAGOJAFXKPT-MQXQTZMCSA-N -1 3 386.416 -0.654 20 0 GBADHM C[C@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCOC1 ZINC001575584225 950165982 /nfs/dbraw/zinc/16/59/82/950165982.db2.gz XBDVEBFULOUPNZ-DLBZAZTESA-N -1 3 389.416 -0.685 20 0 GBADHM C[C@]1(C(=O)NC[C@]2(O)CCN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCOC1 ZINC001575584225 950165967 /nfs/dbraw/zinc/16/59/67/950165967.db2.gz XBDVEBFULOUPNZ-DLBZAZTESA-N -1 3 389.416 -0.685 20 0 GBADHM 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C[C@]1(C(=O)NC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)CCOC1 ZINC001575585713 950204337 /nfs/dbraw/zinc/20/43/37/950204337.db2.gz CBSWQBBMBQFMFV-GTNSWQLSSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)CCOC1 ZINC001575585715 950204801 /nfs/dbraw/zinc/20/48/01/950204801.db2.gz CBSWQBBMBQFMFV-PIGZYNQJSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)CCOC1 ZINC001575585715 950204789 /nfs/dbraw/zinc/20/47/89/950204789.db2.gz CBSWQBBMBQFMFV-PIGZYNQJSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@]1(C(=O)NCC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC(=O)NC1 ZINC001575585744 950200891 /nfs/dbraw/zinc/20/08/91/950200891.db2.gz CIHCXRRPLSSIQI-KRWDZBQOSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@]1(C(=O)NCC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC(=O)NC1 ZINC001575585744 950200864 /nfs/dbraw/zinc/20/08/64/950200864.db2.gz CIHCXRRPLSSIQI-KRWDZBQOSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@@]1(C(=O)NCC2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CCC(=O)NC1 ZINC001575585746 950200816 /nfs/dbraw/zinc/20/08/16/950200816.db2.gz CIHCXRRPLSSIQI-QGZVFWFLSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@@]1(C(=O)NCC2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CCC(=O)NC1 ZINC001575585746 950200805 /nfs/dbraw/zinc/20/08/05/950200805.db2.gz CIHCXRRPLSSIQI-QGZVFWFLSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC(=O)NC1 ZINC001575585801 950208765 /nfs/dbraw/zinc/20/87/65/950208765.db2.gz DGPHFUAXEPAUPY-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC(=O)NC1 ZINC001575585801 950208735 /nfs/dbraw/zinc/20/87/35/950208735.db2.gz DGPHFUAXEPAUPY-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC(=O)NC1 ZINC001575585803 950206225 /nfs/dbraw/zinc/20/62/25/950206225.db2.gz DGPHFUAXEPAUPY-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC(=O)NC1 ZINC001575585803 950206206 /nfs/dbraw/zinc/20/62/06/950206206.db2.gz DGPHFUAXEPAUPY-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC(=O)NC1 ZINC001575585806 950209755 /nfs/dbraw/zinc/20/97/55/950209755.db2.gz DGPHFUAXEPAUPY-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC(=O)NC1 ZINC001575585806 950209735 /nfs/dbraw/zinc/20/97/35/950209735.db2.gz DGPHFUAXEPAUPY-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC(=O)NC1 ZINC001575585808 950205620 /nfs/dbraw/zinc/20/56/20/950205620.db2.gz DGPHFUAXEPAUPY-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC(=O)NC1 ZINC001575585808 950205609 /nfs/dbraw/zinc/20/56/09/950205609.db2.gz DGPHFUAXEPAUPY-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCNC(=O)C1 ZINC001575586464 950220561 /nfs/dbraw/zinc/22/05/61/950220561.db2.gz IVKGDQKZWIRPBD-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCNC(=O)C1 ZINC001575586464 950220540 /nfs/dbraw/zinc/22/05/40/950220540.db2.gz IVKGDQKZWIRPBD-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCNC(=O)C1 ZINC001575586465 950220857 /nfs/dbraw/zinc/22/08/57/950220857.db2.gz IVKGDQKZWIRPBD-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCNC(=O)C1 ZINC001575586465 950220834 /nfs/dbraw/zinc/22/08/34/950220834.db2.gz IVKGDQKZWIRPBD-BTDLBPIBSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCNC(=O)C1 ZINC001575586466 950219739 /nfs/dbraw/zinc/21/97/39/950219739.db2.gz IVKGDQKZWIRPBD-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCNC(=O)C1 ZINC001575586466 950219715 /nfs/dbraw/zinc/21/97/15/950219715.db2.gz IVKGDQKZWIRPBD-DYZYQPBXSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCNC(=O)C1 ZINC001575586467 950218872 /nfs/dbraw/zinc/21/88/72/950218872.db2.gz IVKGDQKZWIRPBD-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCNC(=O)C1 ZINC001575586467 950218851 /nfs/dbraw/zinc/21/88/51/950218851.db2.gz IVKGDQKZWIRPBD-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NCC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCNC(=O)C1 ZINC001575587151 950229825 /nfs/dbraw/zinc/22/98/25/950229825.db2.gz LOTILPMSIKHOTE-KRWDZBQOSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@]1(C(=O)NCC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCNC(=O)C1 ZINC001575587151 950229809 /nfs/dbraw/zinc/22/98/09/950229809.db2.gz LOTILPMSIKHOTE-KRWDZBQOSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@@]1(C(=O)NCC2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)C2)CCNC(=O)C1 ZINC001575587153 950231455 /nfs/dbraw/zinc/23/14/55/950231455.db2.gz LOTILPMSIKHOTE-QGZVFWFLSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@@]1(C(=O)NCC2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CCNC(=O)C1 ZINC001575587153 950231437 /nfs/dbraw/zinc/23/14/37/950231437.db2.gz LOTILPMSIKHOTE-QGZVFWFLSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CNC(=O)C1 ZINC001575587240 950234940 /nfs/dbraw/zinc/23/49/40/950234940.db2.gz MKKXOOYKDABTAM-BMLIUANNSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CNC(=O)C1 ZINC001575587240 950234927 /nfs/dbraw/zinc/23/49/27/950234927.db2.gz MKKXOOYKDABTAM-BMLIUANNSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CNC(=O)C1 ZINC001575587242 950236987 /nfs/dbraw/zinc/23/69/87/950236987.db2.gz MKKXOOYKDABTAM-BTDLBPIBSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CNC(=O)C1 ZINC001575587242 950236959 /nfs/dbraw/zinc/23/69/59/950236959.db2.gz MKKXOOYKDABTAM-BTDLBPIBSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CNC(=O)C1 ZINC001575587243 950237145 /nfs/dbraw/zinc/23/71/45/950237145.db2.gz MKKXOOYKDABTAM-DYZYQPBXSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CNC(=O)C1 ZINC001575587243 950237131 /nfs/dbraw/zinc/23/71/31/950237131.db2.gz MKKXOOYKDABTAM-DYZYQPBXSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)CNC(=O)C1 ZINC001575587245 950235329 /nfs/dbraw/zinc/23/53/29/950235329.db2.gz MKKXOOYKDABTAM-QGHHPUGFSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)CNC(=O)C1 ZINC001575587245 950235296 /nfs/dbraw/zinc/23/52/96/950235296.db2.gz MKKXOOYKDABTAM-QGHHPUGFSA-N -1 3 386.416 -0.701 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCNC(=O)C1 ZINC001575588690 950251827 /nfs/dbraw/zinc/25/18/27/950251827.db2.gz RCQRNRPXLQAXOD-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCNC(=O)C1 ZINC001575588690 950251810 /nfs/dbraw/zinc/25/18/10/950251810.db2.gz RCQRNRPXLQAXOD-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCNC(=O)C1 ZINC001575588692 950249105 /nfs/dbraw/zinc/24/91/05/950249105.db2.gz RCQRNRPXLQAXOD-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCNC(=O)C1 ZINC001575588692 950249087 /nfs/dbraw/zinc/24/90/87/950249087.db2.gz RCQRNRPXLQAXOD-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCNC(=O)C1 ZINC001575588697 950253012 /nfs/dbraw/zinc/25/30/12/950253012.db2.gz RCQRNRPXLQAXOD-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCNC(=O)C1 ZINC001575588697 950252995 /nfs/dbraw/zinc/25/29/95/950252995.db2.gz RCQRNRPXLQAXOD-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCNC(=O)C1 ZINC001575588700 950250601 /nfs/dbraw/zinc/25/06/01/950250601.db2.gz RCQRNRPXLQAXOD-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCNC(=O)C1 ZINC001575588700 950250583 /nfs/dbraw/zinc/25/05/83/950250583.db2.gz RCQRNRPXLQAXOD-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC(=O)NC1 ZINC001575588719 950249357 /nfs/dbraw/zinc/24/93/57/950249357.db2.gz RJDVSTUUTOQULE-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC(=O)NC1 ZINC001575588719 950249341 /nfs/dbraw/zinc/24/93/41/950249341.db2.gz RJDVSTUUTOQULE-APPDUMDISA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC(=O)NC1 ZINC001575588721 950250729 /nfs/dbraw/zinc/25/07/29/950250729.db2.gz RJDVSTUUTOQULE-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC(=O)NC1 ZINC001575588721 950250711 /nfs/dbraw/zinc/25/07/11/950250711.db2.gz RJDVSTUUTOQULE-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC(=O)NC1 ZINC001575588725 950249421 /nfs/dbraw/zinc/24/94/21/950249421.db2.gz RJDVSTUUTOQULE-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC(=O)NC1 ZINC001575588725 950249400 /nfs/dbraw/zinc/24/94/00/950249400.db2.gz RJDVSTUUTOQULE-GTNSWQLSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCC(=O)NC1 ZINC001575588728 950252209 /nfs/dbraw/zinc/25/22/09/950252209.db2.gz RJDVSTUUTOQULE-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCC(=O)NC1 ZINC001575588728 950252192 /nfs/dbraw/zinc/25/21/92/950252192.db2.gz RJDVSTUUTOQULE-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575592623 950293490 /nfs/dbraw/zinc/29/34/90/950293490.db2.gz HWQJIWAVOHAYQX-INIZCTEOSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575592623 950293469 /nfs/dbraw/zinc/29/34/69/950293469.db2.gz HWQJIWAVOHAYQX-INIZCTEOSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@]1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575592624 950291126 /nfs/dbraw/zinc/29/11/26/950291126.db2.gz HWQJIWAVOHAYQX-MRXNPFEDSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@]1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575592624 950291112 /nfs/dbraw/zinc/29/11/12/950291112.db2.gz HWQJIWAVOHAYQX-MRXNPFEDSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575592631 950291656 /nfs/dbraw/zinc/29/16/56/950291656.db2.gz ICVXTATWCWYMBS-INIZCTEOSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575592631 950291637 /nfs/dbraw/zinc/29/16/37/950291637.db2.gz ICVXTATWCWYMBS-INIZCTEOSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@]1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575592632 950291001 /nfs/dbraw/zinc/29/10/01/950291001.db2.gz ICVXTATWCWYMBS-MRXNPFEDSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@]1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575592632 950290986 /nfs/dbraw/zinc/29/09/86/950290986.db2.gz ICVXTATWCWYMBS-MRXNPFEDSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@]1(C(=O)NCCN2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575592650 950290582 /nfs/dbraw/zinc/29/05/82/950290582.db2.gz IUVDAZPYXYFTDT-GOSISDBHSA-N -1 3 386.460 -0.074 20 0 GBADHM C[C@@]1(C(=O)NCCN2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575592650 950290572 /nfs/dbraw/zinc/29/05/72/950290572.db2.gz IUVDAZPYXYFTDT-GOSISDBHSA-N -1 3 386.460 -0.074 20 0 GBADHM C[C@]1(C(=O)NCCN2CCN(c3ncccc3-c3nn[n-]n3)CC2)CCOC1 ZINC001575592651 950296834 /nfs/dbraw/zinc/29/68/34/950296834.db2.gz IUVDAZPYXYFTDT-SFHVURJKSA-N -1 3 386.460 -0.074 20 0 GBADHM C[C@]1(C(=O)NCCN2CCN(c3ncccc3-c3nnn[n-]3)CC2)CCOC1 ZINC001575592651 950296818 /nfs/dbraw/zinc/29/68/18/950296818.db2.gz IUVDAZPYXYFTDT-SFHVURJKSA-N -1 3 386.460 -0.074 20 0 GBADHM CC1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001575592678 950295236 /nfs/dbraw/zinc/29/52/36/950295236.db2.gz JHSWASHQFNVLSF-UHFFFAOYSA-N -1 3 391.432 -0.438 20 0 GBADHM CC1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001575592678 950295220 /nfs/dbraw/zinc/29/52/20/950295220.db2.gz JHSWASHQFNVLSF-UHFFFAOYSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575593372 950314312 /nfs/dbraw/zinc/31/43/12/950314312.db2.gz NQAGUXBOTFDUSO-KRWDZBQOSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575593372 950314289 /nfs/dbraw/zinc/31/42/89/950314289.db2.gz NQAGUXBOTFDUSO-KRWDZBQOSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@@]1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCOC1 ZINC001575593377 950313898 /nfs/dbraw/zinc/31/38/98/950313898.db2.gz NQAGUXBOTFDUSO-QGZVFWFLSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@@]1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCOC1 ZINC001575593377 950313883 /nfs/dbraw/zinc/31/38/83/950313883.db2.gz NQAGUXBOTFDUSO-QGZVFWFLSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2COCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575593455 950312370 /nfs/dbraw/zinc/31/23/70/950312370.db2.gz GDKFXSBXMMSDDE-PXAZEXFGSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2COCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575593455 950312349 /nfs/dbraw/zinc/31/23/49/950312349.db2.gz GDKFXSBXMMSDDE-PXAZEXFGSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2COCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575593459 950314918 /nfs/dbraw/zinc/31/49/18/950314918.db2.gz GDKFXSBXMMSDDE-SJCJKPOMSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2COCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575593459 950314897 /nfs/dbraw/zinc/31/48/97/950314897.db2.gz GDKFXSBXMMSDDE-SJCJKPOMSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575593463 950313029 /nfs/dbraw/zinc/31/30/29/950313029.db2.gz GDKFXSBXMMSDDE-SJKOYZFVSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575593463 950313005 /nfs/dbraw/zinc/31/30/05/950313005.db2.gz GDKFXSBXMMSDDE-SJKOYZFVSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2COCCN2C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCOC1 ZINC001575593467 950310872 /nfs/dbraw/zinc/31/08/72/950310872.db2.gz GDKFXSBXMMSDDE-YVEFUNNKSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2COCCN2C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCOC1 ZINC001575593467 950310855 /nfs/dbraw/zinc/31/08/55/950310855.db2.gz GDKFXSBXMMSDDE-YVEFUNNKSA-N -1 3 389.416 -0.421 20 0 GBADHM CC1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOCC1 ZINC001575593799 950319547 /nfs/dbraw/zinc/31/95/47/950319547.db2.gz OIZBGYDAHLBGNF-UHFFFAOYSA-N -1 3 391.432 -0.438 20 0 GBADHM CC1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOCC1 ZINC001575593799 950319526 /nfs/dbraw/zinc/31/95/26/950319526.db2.gz OIZBGYDAHLBGNF-UHFFFAOYSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575593864 950323564 /nfs/dbraw/zinc/32/35/64/950323564.db2.gz PDFHGBPUTVZCMY-KRWDZBQOSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575593864 950323542 /nfs/dbraw/zinc/32/35/42/950323542.db2.gz PDFHGBPUTVZCMY-KRWDZBQOSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@@]1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCOC1 ZINC001575593866 950323170 /nfs/dbraw/zinc/32/31/70/950323170.db2.gz PDFHGBPUTVZCMY-QGZVFWFLSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@@]1(C(=O)NCCN(CCO)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCOC1 ZINC001575593866 950323150 /nfs/dbraw/zinc/32/31/50/950323150.db2.gz PDFHGBPUTVZCMY-QGZVFWFLSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2COCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575594097 950328909 /nfs/dbraw/zinc/32/89/09/950328909.db2.gz JQKXXVSFBTVRMZ-PXAZEXFGSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2COCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575594097 950328889 /nfs/dbraw/zinc/32/88/89/950328889.db2.gz JQKXXVSFBTVRMZ-PXAZEXFGSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2COCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575594101 950329567 /nfs/dbraw/zinc/32/95/67/950329567.db2.gz JQKXXVSFBTVRMZ-SJCJKPOMSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2COCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575594101 950329545 /nfs/dbraw/zinc/32/95/45/950329545.db2.gz JQKXXVSFBTVRMZ-SJCJKPOMSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575594103 950325562 /nfs/dbraw/zinc/32/55/62/950325562.db2.gz JQKXXVSFBTVRMZ-SJKOYZFVSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575594103 950325546 /nfs/dbraw/zinc/32/55/46/950325546.db2.gz JQKXXVSFBTVRMZ-SJKOYZFVSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2COCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOC1 ZINC001575594106 950329922 /nfs/dbraw/zinc/32/99/22/950329922.db2.gz JQKXXVSFBTVRMZ-YVEFUNNKSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2COCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOC1 ZINC001575594106 950329900 /nfs/dbraw/zinc/32/99/00/950329900.db2.gz JQKXXVSFBTVRMZ-YVEFUNNKSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575594935 950342723 /nfs/dbraw/zinc/34/27/23/950342723.db2.gz WDQVLERFWRGVIP-KRWDZBQOSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575594935 950342700 /nfs/dbraw/zinc/34/27/00/950342700.db2.gz WDQVLERFWRGVIP-KRWDZBQOSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@@]1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCOC1 ZINC001575594937 950341391 /nfs/dbraw/zinc/34/13/91/950341391.db2.gz WDQVLERFWRGVIP-QGZVFWFLSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@@]1(C(=O)NCCN(CCO)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCOC1 ZINC001575594937 950341372 /nfs/dbraw/zinc/34/13/72/950341372.db2.gz WDQVLERFWRGVIP-QGZVFWFLSA-N -1 3 391.432 -0.438 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575594967 950343747 /nfs/dbraw/zinc/34/37/47/950343747.db2.gz MLEARACJIQIVSL-APPDUMDISA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575594967 950343729 /nfs/dbraw/zinc/34/37/29/950343729.db2.gz MLEARACJIQIVSL-APPDUMDISA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575594969 950346972 /nfs/dbraw/zinc/34/69/72/950346972.db2.gz MLEARACJIQIVSL-DIFFPNOSSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@]1(C(=O)NC[C@@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575594969 950346951 /nfs/dbraw/zinc/34/69/51/950346951.db2.gz MLEARACJIQIVSL-DIFFPNOSSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575594972 950349269 /nfs/dbraw/zinc/34/92/69/950349269.db2.gz MLEARACJIQIVSL-GTNSWQLSSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575594972 950349251 /nfs/dbraw/zinc/34/92/51/950349251.db2.gz MLEARACJIQIVSL-GTNSWQLSSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575594974 950349428 /nfs/dbraw/zinc/34/94/28/950349428.db2.gz MLEARACJIQIVSL-PIGZYNQJSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NC[C@@H]2COCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575594974 950349411 /nfs/dbraw/zinc/34/94/11/950349411.db2.gz MLEARACJIQIVSL-PIGZYNQJSA-N -1 3 389.416 -0.421 20 0 GBADHM C[C@@]1(C(=O)NCCN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCOC1 ZINC001575595163 950353232 /nfs/dbraw/zinc/35/32/32/950353232.db2.gz YEGUOMDCBQPTKK-GOSISDBHSA-N -1 3 386.460 -0.074 20 0 GBADHM C[C@@]1(C(=O)NCCN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCOC1 ZINC001575595163 950353209 /nfs/dbraw/zinc/35/32/09/950353209.db2.gz YEGUOMDCBQPTKK-GOSISDBHSA-N -1 3 386.460 -0.074 20 0 GBADHM C[C@]1(C(=O)NCCN2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CCOC1 ZINC001575595168 950353975 /nfs/dbraw/zinc/35/39/75/950353975.db2.gz YEGUOMDCBQPTKK-SFHVURJKSA-N -1 3 386.460 -0.074 20 0 GBADHM C[C@]1(C(=O)NCCN2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CCOC1 ZINC001575595168 950353949 /nfs/dbraw/zinc/35/39/49/950353949.db2.gz YEGUOMDCBQPTKK-SFHVURJKSA-N -1 3 386.460 -0.074 20 0 GBADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575595195 950354891 /nfs/dbraw/zinc/35/48/91/950354891.db2.gz YJIMDZSOMKHERP-INIZCTEOSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@]1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575595195 950354870 /nfs/dbraw/zinc/35/48/70/950354870.db2.gz YJIMDZSOMKHERP-INIZCTEOSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@]1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCOC1 ZINC001575595199 950354966 /nfs/dbraw/zinc/35/49/66/950354966.db2.gz YJIMDZSOMKHERP-MRXNPFEDSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@]1(C(=O)NCCN(CCO)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCOC1 ZINC001575595199 950354941 /nfs/dbraw/zinc/35/49/41/950354941.db2.gz YJIMDZSOMKHERP-MRXNPFEDSA-N -1 3 377.405 -0.828 20 0 GBADHM C[C@@]1(C(=O)NCCNc2ncc(-c3nn[n-]n3)cc2F)CCCS1(=O)=O ZINC001575595413 950359244 /nfs/dbraw/zinc/35/92/44/950359244.db2.gz ZSVPSAGKGHQUSY-AWEZNQCLSA-N -1 3 383.409 -0.104 20 0 GBADHM C[C@@]1(C(=O)NCCNc2ncc(-c3nnn[n-]3)cc2F)CCCS1(=O)=O ZINC001575595413 950359226 /nfs/dbraw/zinc/35/92/26/950359226.db2.gz ZSVPSAGKGHQUSY-AWEZNQCLSA-N 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C[C@@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)C2)CNC(=O)C1 ZINC001575597110 950396470 /nfs/dbraw/zinc/39/64/70/950396470.db2.gz LUEGGKHEQWZSDG-NSTVUXKKSA-N -1 3 386.416 -0.654 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CNC(=O)C1 ZINC001575597304 950408505 /nfs/dbraw/zinc/40/85/05/950408505.db2.gz OLEBAGOJAFXKPT-VHCOLVSPSA-N -1 3 386.416 -0.654 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CNC(=O)C1 ZINC001575597304 950408490 /nfs/dbraw/zinc/40/84/90/950408490.db2.gz OLEBAGOJAFXKPT-VHCOLVSPSA-N -1 3 386.416 -0.654 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)CNC(=O)C1 ZINC001575597305 950408857 /nfs/dbraw/zinc/40/88/57/950408857.db2.gz OLEBAGOJAFXKPT-YMNVWFMLSA-N -1 3 386.416 -0.654 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)CNC(=O)C1 ZINC001575597305 950408845 /nfs/dbraw/zinc/40/88/45/950408845.db2.gz OLEBAGOJAFXKPT-YMNVWFMLSA-N -1 3 386.416 -0.654 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CNC(=O)C1 ZINC001575597452 950411759 /nfs/dbraw/zinc/41/17/59/950411759.db2.gz PZELRVDUIWICRF-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CNC(=O)C1 ZINC001575597452 950411754 /nfs/dbraw/zinc/41/17/54/950411754.db2.gz PZELRVDUIWICRF-DIFFPNOSSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CNC(=O)C1 ZINC001575597453 950411816 /nfs/dbraw/zinc/41/18/16/950411816.db2.gz PZELRVDUIWICRF-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CNC(=O)C1 ZINC001575597453 950411809 /nfs/dbraw/zinc/41/18/09/950411809.db2.gz PZELRVDUIWICRF-PIGZYNQJSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCNC1=O ZINC001575597459 950411361 /nfs/dbraw/zinc/41/13/61/950411361.db2.gz QDRXMPQCALHGNR-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@@]1(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCNC1=O ZINC001575597459 950411353 /nfs/dbraw/zinc/41/13/53/950411353.db2.gz QDRXMPQCALHGNR-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCNC1=O ZINC001575597460 950411739 /nfs/dbraw/zinc/41/17/39/950411739.db2.gz QDRXMPQCALHGNR-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCNC1=O ZINC001575597460 950411733 /nfs/dbraw/zinc/41/17/33/950411733.db2.gz QDRXMPQCALHGNR-QGHHPUGFSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CNC(=O)C1 ZINC001575597537 950415219 /nfs/dbraw/zinc/41/52/19/950415219.db2.gz TYWORWZZWZRCQK-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM C[C@]1(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CNC(=O)C1 ZINC001575597537 950415208 /nfs/dbraw/zinc/41/52/08/950415208.db2.gz TYWORWZZWZRCQK-BMLIUANNSA-N -1 3 386.416 -0.558 20 0 GBADHM 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C[C@@H]1[C@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575868789 949466138 /nfs/dbraw/zinc/46/61/38/949466138.db2.gz PCZOYELJUNLPFR-MWLCHTKSSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H]1[C@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575868789 949466124 /nfs/dbraw/zinc/46/61/24/949466124.db2.gz PCZOYELJUNLPFR-MWLCHTKSSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575868790 949467371 /nfs/dbraw/zinc/46/73/71/949467371.db2.gz PCZOYELJUNLPFR-ONGXEEELSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575868790 949467362 /nfs/dbraw/zinc/46/73/62/949467362.db2.gz PCZOYELJUNLPFR-ONGXEEELSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H]1[C@@H](CO)CCN1C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001575869135 949471076 /nfs/dbraw/zinc/47/10/76/949471076.db2.gz PVDWHVYDKKFEDV-CMPLNLGQSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H]1[C@@H](CO)CCN1C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001575869135 949471063 /nfs/dbraw/zinc/47/10/63/949471063.db2.gz PVDWHVYDKKFEDV-CMPLNLGQSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H]1[C@H](CO)CCN1C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001575869136 949472373 /nfs/dbraw/zinc/47/23/73/949472373.db2.gz PVDWHVYDKKFEDV-JQWIXIFHSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H]1[C@H](CO)CCN1C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001575869136 949472360 /nfs/dbraw/zinc/47/23/60/949472360.db2.gz PVDWHVYDKKFEDV-JQWIXIFHSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H]1[C@H](CO)CCN1C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001575869138 949470068 /nfs/dbraw/zinc/47/00/68/949470068.db2.gz PVDWHVYDKKFEDV-PWSUYJOCSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H]1[C@H](CO)CCN1C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001575869138 949470059 /nfs/dbraw/zinc/47/00/59/949470059.db2.gz PVDWHVYDKKFEDV-PWSUYJOCSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H]1[C@@H](CO)CCN1C(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001575869139 949470431 /nfs/dbraw/zinc/47/04/31/949470431.db2.gz PVDWHVYDKKFEDV-ZYHUDNBSSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H]1[C@@H](CO)CCN1C(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001575869139 949470416 /nfs/dbraw/zinc/47/04/16/949470416.db2.gz PVDWHVYDKKFEDV-ZYHUDNBSSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H]1[C@@H](CO)CCN1C(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001575869547 949476881 /nfs/dbraw/zinc/47/68/81/949476881.db2.gz RPAHABNWVSHUHW-CMPLNLGQSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H]1[C@@H](CO)CCN1C(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001575869547 949476868 /nfs/dbraw/zinc/47/68/68/949476868.db2.gz RPAHABNWVSHUHW-CMPLNLGQSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H]1[C@H](CO)CCN1C(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001575869550 949478324 /nfs/dbraw/zinc/47/83/24/949478324.db2.gz RPAHABNWVSHUHW-JQWIXIFHSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@H]1[C@H](CO)CCN1C(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001575869550 949478311 /nfs/dbraw/zinc/47/83/11/949478311.db2.gz RPAHABNWVSHUHW-JQWIXIFHSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H]1[C@H](CO)CCN1C(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001575869553 949476769 /nfs/dbraw/zinc/47/67/69/949476769.db2.gz RPAHABNWVSHUHW-PWSUYJOCSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H]1[C@H](CO)CCN1C(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001575869553 949476763 /nfs/dbraw/zinc/47/67/63/949476763.db2.gz RPAHABNWVSHUHW-PWSUYJOCSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H]1[C@@H](CO)CCN1C(=O)CNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001575869556 949477012 /nfs/dbraw/zinc/47/70/12/949477012.db2.gz RPAHABNWVSHUHW-ZYHUDNBSSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H]1[C@@H](CO)CCN1C(=O)CNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001575869556 949476996 /nfs/dbraw/zinc/47/69/96/949476996.db2.gz RPAHABNWVSHUHW-ZYHUDNBSSA-N -1 3 380.430 -0.626 20 0 GBADHM C[C@@H]1[C@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575871095 949505037 /nfs/dbraw/zinc/50/50/37/949505037.db2.gz YTMPJLSHKOPMEQ-BXKDBHETSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H]1[C@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575871095 949505020 /nfs/dbraw/zinc/50/50/20/949505020.db2.gz YTMPJLSHKOPMEQ-BXKDBHETSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575871096 949507191 /nfs/dbraw/zinc/50/71/91/949507191.db2.gz YTMPJLSHKOPMEQ-CABZTGNLSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575871096 949507159 /nfs/dbraw/zinc/50/71/59/949507159.db2.gz YTMPJLSHKOPMEQ-CABZTGNLSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H]1[C@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575871097 949505084 /nfs/dbraw/zinc/50/50/84/949505084.db2.gz YTMPJLSHKOPMEQ-JOYOIKCWSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H]1[C@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575871097 949505071 /nfs/dbraw/zinc/50/50/71/949505071.db2.gz YTMPJLSHKOPMEQ-JOYOIKCWSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575871098 949506484 /nfs/dbraw/zinc/50/64/84/949506484.db2.gz YTMPJLSHKOPMEQ-SKDRFNHKSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)C(=O)NCC2CC2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575871098 949506462 /nfs/dbraw/zinc/50/64/62/949506462.db2.gz YTMPJLSHKOPMEQ-SKDRFNHKSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575872365 949544721 /nfs/dbraw/zinc/54/47/21/949544721.db2.gz ILQCHKASCWWVFW-GWCFXTLKSA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575872365 949544702 /nfs/dbraw/zinc/54/47/02/949544702.db2.gz ILQCHKASCWWVFW-GWCFXTLKSA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575872366 949543603 /nfs/dbraw/zinc/54/36/03/949543603.db2.gz ILQCHKASCWWVFW-GXFFZTMASA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575872366 949543587 /nfs/dbraw/zinc/54/35/87/949543587.db2.gz ILQCHKASCWWVFW-GXFFZTMASA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575872367 949542177 /nfs/dbraw/zinc/54/21/77/949542177.db2.gz ILQCHKASCWWVFW-MFKMUULPSA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575872367 949542162 /nfs/dbraw/zinc/54/21/62/949542162.db2.gz ILQCHKASCWWVFW-MFKMUULPSA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ccc(-c2nn[n-]n2)nc1 ZINC001575872368 949543332 /nfs/dbraw/zinc/54/33/32/949543332.db2.gz ILQCHKASCWWVFW-ZWNOBZJWSA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ccc(-c2nnn[n-]2)nc1 ZINC001575872368 949543313 /nfs/dbraw/zinc/54/33/13/949543313.db2.gz ILQCHKASCWWVFW-ZWNOBZJWSA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575872963 949563681 /nfs/dbraw/zinc/56/36/81/949563681.db2.gz MLDFMADEODADHY-GWCFXTLKSA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575872963 949563667 /nfs/dbraw/zinc/56/36/67/949563667.db2.gz MLDFMADEODADHY-GWCFXTLKSA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575872965 949562685 /nfs/dbraw/zinc/56/26/85/949562685.db2.gz MLDFMADEODADHY-GXFFZTMASA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575872965 949562675 /nfs/dbraw/zinc/56/26/75/949562675.db2.gz MLDFMADEODADHY-GXFFZTMASA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575872967 949561287 /nfs/dbraw/zinc/56/12/87/949561287.db2.gz MLDFMADEODADHY-MFKMUULPSA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575872967 949561274 /nfs/dbraw/zinc/56/12/74/949561274.db2.gz MLDFMADEODADHY-MFKMUULPSA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ncccc1-c1nn[n-]n1 ZINC001575872969 949562503 /nfs/dbraw/zinc/56/25/03/949562503.db2.gz MLDFMADEODADHY-ZWNOBZJWSA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@@H]1[C@H](NC(=O)C2CS(=O)(=O)C2)CCCN1c1ncccc1-c1nnn[n-]1 ZINC001575872969 949562483 /nfs/dbraw/zinc/56/24/83/949562483.db2.gz MLDFMADEODADHY-ZWNOBZJWSA-N -1 3 391.457 -0.220 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575873992 949594751 /nfs/dbraw/zinc/59/47/51/949594751.db2.gz DFABJJJPVFKDRU-AAEUAGOBSA-N -1 3 388.432 -0.754 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575873992 949594736 /nfs/dbraw/zinc/59/47/36/949594736.db2.gz DFABJJJPVFKDRU-AAEUAGOBSA-N -1 3 388.432 -0.754 20 0 GBADHM 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C[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575873995 949601275 /nfs/dbraw/zinc/60/12/75/949601275.db2.gz DFABJJJPVFKDRU-YPMHNXCESA-N -1 3 388.432 -0.754 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CCc2nnc[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874043 949601765 /nfs/dbraw/zinc/60/17/65/949601765.db2.gz DVSZGMUWWRRYEE-GHMZBOCLSA-N -1 3 383.420 -0.119 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CCc2nnc[nH]2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575874043 949601754 /nfs/dbraw/zinc/60/17/54/949601754.db2.gz DVSZGMUWWRRYEE-GHMZBOCLSA-N -1 3 383.420 -0.119 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CCc2nnc[nH]2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874045 949602168 /nfs/dbraw/zinc/60/21/68/949602168.db2.gz DVSZGMUWWRRYEE-MNOVXSKESA-N -1 3 383.420 -0.119 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CCc2nnc[nH]2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575874045 949602160 /nfs/dbraw/zinc/60/21/60/949602160.db2.gz DVSZGMUWWRRYEE-MNOVXSKESA-N -1 3 383.420 -0.119 20 0 GBADHM 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384.404 -0.404 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CCn2ccnn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880668 949706422 /nfs/dbraw/zinc/70/64/22/949706422.db2.gz VLKFGBHMMKZVGQ-ZYHUDNBSSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880693 949708475 /nfs/dbraw/zinc/70/84/75/949708475.db2.gz VOVGLZHGNVQHJI-CMPLNLGQSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@H](NC(=O)CCn2cncn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880693 949708449 /nfs/dbraw/zinc/70/84/49/949708449.db2.gz VOVGLZHGNVQHJI-CMPLNLGQSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880883 949707549 /nfs/dbraw/zinc/70/75/49/949707549.db2.gz VOVGLZHGNVQHJI-JQWIXIFHSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CCn2cncn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880883 949707534 /nfs/dbraw/zinc/70/75/34/949707534.db2.gz VOVGLZHGNVQHJI-JQWIXIFHSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880884 949708292 /nfs/dbraw/zinc/70/82/92/949708292.db2.gz VOVGLZHGNVQHJI-PWSUYJOCSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CCn2cncn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880884 949708272 /nfs/dbraw/zinc/70/82/72/949708272.db2.gz VOVGLZHGNVQHJI-PWSUYJOCSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880885 949706974 /nfs/dbraw/zinc/70/69/74/949706974.db2.gz VOVGLZHGNVQHJI-ZYHUDNBSSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CCn2cncn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880885 949706959 /nfs/dbraw/zinc/70/69/59/949706959.db2.gz VOVGLZHGNVQHJI-ZYHUDNBSSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880922 949710362 /nfs/dbraw/zinc/71/03/62/949710362.db2.gz VWSDYGRQNPAAFA-CMPLNLGQSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880922 949710342 /nfs/dbraw/zinc/71/03/42/949710342.db2.gz VWSDYGRQNPAAFA-CMPLNLGQSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880923 949709192 /nfs/dbraw/zinc/70/91/92/949709192.db2.gz VWSDYGRQNPAAFA-JQWIXIFHSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880923 949709180 /nfs/dbraw/zinc/70/91/80/949709180.db2.gz VWSDYGRQNPAAFA-JQWIXIFHSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880924 949709163 /nfs/dbraw/zinc/70/91/63/949709163.db2.gz VWSDYGRQNPAAFA-PWSUYJOCSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880924 949709146 /nfs/dbraw/zinc/70/91/46/949709146.db2.gz VWSDYGRQNPAAFA-PWSUYJOCSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575880925 949709277 /nfs/dbraw/zinc/70/92/77/949709277.db2.gz VWSDYGRQNPAAFA-ZYHUDNBSSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575880925 949709262 /nfs/dbraw/zinc/70/92/62/949709262.db2.gz VWSDYGRQNPAAFA-ZYHUDNBSSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575880934 949709074 /nfs/dbraw/zinc/70/90/74/949709074.db2.gz WASSESUTXLKYDL-GXSJLCMTSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575880934 949709058 /nfs/dbraw/zinc/70/90/58/949709058.db2.gz WASSESUTXLKYDL-GXSJLCMTSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575880935 949709318 /nfs/dbraw/zinc/70/93/18/949709318.db2.gz WASSESUTXLKYDL-KOLCDFICSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575880935 949709306 /nfs/dbraw/zinc/70/93/06/949709306.db2.gz WASSESUTXLKYDL-KOLCDFICSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575880936 949709973 /nfs/dbraw/zinc/70/99/73/949709973.db2.gz WASSESUTXLKYDL-MWLCHTKSSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CNC(=O)C2CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575880936 949709957 /nfs/dbraw/zinc/70/99/57/949709957.db2.gz WASSESUTXLKYDL-MWLCHTKSSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575880937 949709836 /nfs/dbraw/zinc/70/98/36/949709836.db2.gz WASSESUTXLKYDL-ONGXEEELSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CNC(=O)C2CC2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575880937 949709820 /nfs/dbraw/zinc/70/98/20/949709820.db2.gz WASSESUTXLKYDL-ONGXEEELSA-N -1 3 386.416 -0.560 20 0 GBADHM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881260 949715380 /nfs/dbraw/zinc/71/53/80/949715380.db2.gz WZYJKOKNCOPATC-CMPLNLGQSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881260 949715355 /nfs/dbraw/zinc/71/53/55/949715355.db2.gz WZYJKOKNCOPATC-CMPLNLGQSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881261 949713408 /nfs/dbraw/zinc/71/34/08/949713408.db2.gz WZYJKOKNCOPATC-JQWIXIFHSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881261 949713395 /nfs/dbraw/zinc/71/33/95/949713395.db2.gz WZYJKOKNCOPATC-JQWIXIFHSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881262 949714638 /nfs/dbraw/zinc/71/46/38/949714638.db2.gz WZYJKOKNCOPATC-PWSUYJOCSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881262 949714622 /nfs/dbraw/zinc/71/46/22/949714622.db2.gz WZYJKOKNCOPATC-PWSUYJOCSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881263 949712721 /nfs/dbraw/zinc/71/27/21/949712721.db2.gz WZYJKOKNCOPATC-ZYHUDNBSSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881263 949712701 /nfs/dbraw/zinc/71/27/01/949712701.db2.gz WZYJKOKNCOPATC-ZYHUDNBSSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CCNC(N)=O)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575881320 949719408 /nfs/dbraw/zinc/71/94/08/949719408.db2.gz XNVTURVBRCDMOC-BXKDBHETSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CCNC(N)=O)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575881320 949719395 /nfs/dbraw/zinc/71/93/95/949719395.db2.gz XNVTURVBRCDMOC-BXKDBHETSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CCNC(N)=O)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575881321 949718439 /nfs/dbraw/zinc/71/84/39/949718439.db2.gz XNVTURVBRCDMOC-CABZTGNLSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CCNC(N)=O)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575881321 949718424 /nfs/dbraw/zinc/71/84/24/949718424.db2.gz XNVTURVBRCDMOC-CABZTGNLSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H]1[C@H](NC(=O)CCNC(N)=O)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575881322 949719731 /nfs/dbraw/zinc/71/97/31/949719731.db2.gz XNVTURVBRCDMOC-JOYOIKCWSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H]1[C@H](NC(=O)CCNC(N)=O)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575881322 949719717 /nfs/dbraw/zinc/71/97/17/949719717.db2.gz XNVTURVBRCDMOC-JOYOIKCWSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575881323 949719497 /nfs/dbraw/zinc/71/94/97/949719497.db2.gz XNVTURVBRCDMOC-SKDRFNHKSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CCNC(N)=O)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575881323 949719481 /nfs/dbraw/zinc/71/94/81/949719481.db2.gz XNVTURVBRCDMOC-SKDRFNHKSA-N -1 3 391.411 -0.067 20 0 GBADHM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575881554 949722908 /nfs/dbraw/zinc/72/29/08/949722908.db2.gz ZCOXKVVYKUDKMI-CMPLNLGQSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575881554 949722890 /nfs/dbraw/zinc/72/28/90/949722890.db2.gz ZCOXKVVYKUDKMI-CMPLNLGQSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575881556 949724267 /nfs/dbraw/zinc/72/42/67/949724267.db2.gz ZCOXKVVYKUDKMI-JQWIXIFHSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575881556 949724247 /nfs/dbraw/zinc/72/42/47/949724247.db2.gz ZCOXKVVYKUDKMI-JQWIXIFHSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575881558 949723339 /nfs/dbraw/zinc/72/33/39/949723339.db2.gz ZCOXKVVYKUDKMI-PWSUYJOCSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575881558 949723323 /nfs/dbraw/zinc/72/33/23/949723323.db2.gz ZCOXKVVYKUDKMI-PWSUYJOCSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575881559 949724131 /nfs/dbraw/zinc/72/41/31/949724131.db2.gz ZCOXKVVYKUDKMI-ZYHUDNBSSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575881559 949724106 /nfs/dbraw/zinc/72/41/06/949724106.db2.gz ZCOXKVVYKUDKMI-ZYHUDNBSSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881665 949728815 /nfs/dbraw/zinc/72/88/15/949728815.db2.gz ZLCNIPUYQPWLPS-GHMZBOCLSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575881665 949728806 /nfs/dbraw/zinc/72/88/06/949728806.db2.gz ZLCNIPUYQPWLPS-GHMZBOCLSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881666 949726791 /nfs/dbraw/zinc/72/67/91/949726791.db2.gz ZLCNIPUYQPWLPS-MNOVXSKESA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575881666 949726783 /nfs/dbraw/zinc/72/67/83/949726783.db2.gz ZLCNIPUYQPWLPS-MNOVXSKESA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881667 949728773 /nfs/dbraw/zinc/72/87/73/949728773.db2.gz ZLCNIPUYQPWLPS-QWRGUYRKSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575881667 949728761 /nfs/dbraw/zinc/72/87/61/949728761.db2.gz ZLCNIPUYQPWLPS-QWRGUYRKSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575881668 949726825 /nfs/dbraw/zinc/72/68/25/949726825.db2.gz ZLCNIPUYQPWLPS-WDEREUQCSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H]1[C@H](NC(=O)CN2CCCC2=O)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575881668 949726815 /nfs/dbraw/zinc/72/68/15/949726815.db2.gz ZLCNIPUYQPWLPS-WDEREUQCSA-N -1 3 386.416 -0.464 20 0 GBADHM C[C@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881717 949727170 /nfs/dbraw/zinc/72/71/70/949727170.db2.gz ZXFBXVBZUOSKAU-CMPLNLGQSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881717 949727161 /nfs/dbraw/zinc/72/71/61/949727161.db2.gz ZXFBXVBZUOSKAU-CMPLNLGQSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881718 949730233 /nfs/dbraw/zinc/73/02/33/949730233.db2.gz ZXFBXVBZUOSKAU-JQWIXIFHSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881718 949730189 /nfs/dbraw/zinc/73/01/89/949730189.db2.gz ZXFBXVBZUOSKAU-JQWIXIFHSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881719 949729789 /nfs/dbraw/zinc/72/97/89/949729789.db2.gz ZXFBXVBZUOSKAU-PWSUYJOCSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881719 949729764 /nfs/dbraw/zinc/72/97/64/949729764.db2.gz ZXFBXVBZUOSKAU-PWSUYJOCSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881720 949730436 /nfs/dbraw/zinc/73/04/36/949730436.db2.gz ZXFBXVBZUOSKAU-ZYHUDNBSSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@@H]1[C@H](NC(=O)CCCC(N)=O)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575881720 949730423 /nfs/dbraw/zinc/73/04/23/949730423.db2.gz ZXFBXVBZUOSKAU-ZYHUDNBSSA-N -1 3 388.432 -0.040 20 0 GBADHM C[C@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575881737 949730494 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PAFLSEPQUDROHW-JQWIXIFHSA-N -1 3 383.416 -0.110 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cncn1C ZINC001575891895 950039981 /nfs/dbraw/zinc/03/99/81/950039981.db2.gz PAFLSEPQUDROHW-PWSUYJOCSA-N -1 3 383.416 -0.110 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cncn1C ZINC001575891895 950039963 /nfs/dbraw/zinc/03/99/63/950039963.db2.gz PAFLSEPQUDROHW-PWSUYJOCSA-N -1 3 383.416 -0.110 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)Cc1cncn1C ZINC001575891896 950040659 /nfs/dbraw/zinc/04/06/59/950040659.db2.gz PAFLSEPQUDROHW-ZYHUDNBSSA-N -1 3 383.416 -0.110 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)Cc1cncn1C ZINC001575891896 950040636 /nfs/dbraw/zinc/04/06/36/950040636.db2.gz PAFLSEPQUDROHW-ZYHUDNBSSA-N -1 3 383.416 -0.110 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1ccnn1 ZINC001575891969 950042063 /nfs/dbraw/zinc/04/20/63/950042063.db2.gz QAMLAMKDAPSQAR-GHMZBOCLSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1ccnn1 ZINC001575891969 950042041 /nfs/dbraw/zinc/04/20/41/950042041.db2.gz QAMLAMKDAPSQAR-GHMZBOCLSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1ccnn1 ZINC001575891970 950045644 /nfs/dbraw/zinc/04/56/44/950045644.db2.gz QAMLAMKDAPSQAR-MNOVXSKESA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1ccnn1 ZINC001575891970 950045620 /nfs/dbraw/zinc/04/56/20/950045620.db2.gz QAMLAMKDAPSQAR-MNOVXSKESA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1ccnn1 ZINC001575891971 950043884 /nfs/dbraw/zinc/04/38/84/950043884.db2.gz QAMLAMKDAPSQAR-QWRGUYRKSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1ccnn1 ZINC001575891971 950043864 /nfs/dbraw/zinc/04/38/64/950043864.db2.gz QAMLAMKDAPSQAR-QWRGUYRKSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CCn1ccnn1 ZINC001575891972 950045225 /nfs/dbraw/zinc/04/52/25/950045225.db2.gz QAMLAMKDAPSQAR-WDEREUQCSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CCn1ccnn1 ZINC001575891972 950045206 /nfs/dbraw/zinc/04/52/06/950045206.db2.gz QAMLAMKDAPSQAR-WDEREUQCSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CN1CCOCC1 ZINC001575891977 950042958 /nfs/dbraw/zinc/04/29/58/950042958.db2.gz QAXAQZKPKSURRX-NEPJUHHUSA-N -1 3 388.432 -0.754 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CN1CCOCC1 ZINC001575891977 950042937 /nfs/dbraw/zinc/04/29/37/950042937.db2.gz QAXAQZKPKSURRX-NEPJUHHUSA-N -1 3 388.432 -0.754 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CN1CCOCC1 ZINC001575891978 950043272 /nfs/dbraw/zinc/04/32/72/950043272.db2.gz QAXAQZKPKSURRX-NWDGAFQWSA-N -1 3 388.432 -0.754 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CN1CCOCC1 ZINC001575891978 950043250 /nfs/dbraw/zinc/04/32/50/950043250.db2.gz QAXAQZKPKSURRX-NWDGAFQWSA-N -1 3 388.432 -0.754 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CN1CCOCC1 ZINC001575891979 950045582 /nfs/dbraw/zinc/04/55/82/950045582.db2.gz QAXAQZKPKSURRX-RYUDHWBXSA-N -1 3 388.432 -0.754 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CN1CCOCC1 ZINC001575891979 950045557 /nfs/dbraw/zinc/04/55/57/950045557.db2.gz QAXAQZKPKSURRX-RYUDHWBXSA-N -1 3 388.432 -0.754 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1C(=O)CN1CCOCC1 ZINC001575891980 950041870 /nfs/dbraw/zinc/04/18/70/950041870.db2.gz QAXAQZKPKSURRX-VXGBXAGGSA-N -1 3 388.432 -0.754 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)CN1CCOCC1 ZINC001575891980 950041857 /nfs/dbraw/zinc/04/18/57/950041857.db2.gz QAXAQZKPKSURRX-VXGBXAGGSA-N -1 3 388.432 -0.754 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cn1cncn1 ZINC001575892009 950046148 /nfs/dbraw/zinc/04/61/48/950046148.db2.gz QIXCWOXTPWYBRJ-GHMZBOCLSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cn1cncn1 ZINC001575892009 950046126 /nfs/dbraw/zinc/04/61/26/950046126.db2.gz QIXCWOXTPWYBRJ-GHMZBOCLSA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cn1cncn1 ZINC001575892010 950042893 /nfs/dbraw/zinc/04/28/93/950042893.db2.gz QIXCWOXTPWYBRJ-MNOVXSKESA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1C(=O)Cn1cncn1 ZINC001575892010 950042871 /nfs/dbraw/zinc/04/28/71/950042871.db2.gz QIXCWOXTPWYBRJ-MNOVXSKESA-N -1 3 384.404 -0.404 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1C(=O)Cn1cncn1 ZINC001575892011 950042262 /nfs/dbraw/zinc/04/22/62/950042262.db2.gz QIXCWOXTPWYBRJ-QWRGUYRKSA-N -1 3 384.404 -0.404 20 0 GBADHM 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C[C@@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575901186 950225743 /nfs/dbraw/zinc/22/57/43/950225743.db2.gz LZMJWKNTGKSTRI-NXEZZACHSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901187 950225055 /nfs/dbraw/zinc/22/50/55/950225055.db2.gz LZMJWKNTGKSTRI-UWVGGRQHSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575901187 950225028 /nfs/dbraw/zinc/22/50/28/950225028.db2.gz LZMJWKNTGKSTRI-UWVGGRQHSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901188 950225593 /nfs/dbraw/zinc/22/55/93/950225593.db2.gz LZMJWKNTGKSTRI-VHSXEESVSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575901188 950225567 /nfs/dbraw/zinc/22/55/67/950225567.db2.gz LZMJWKNTGKSTRI-VHSXEESVSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901189 950223250 /nfs/dbraw/zinc/22/32/50/950223250.db2.gz LZMJWKNTGKSTRI-ZJUUUORDSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575901189 950223222 /nfs/dbraw/zinc/22/32/22/950223222.db2.gz LZMJWKNTGKSTRI-ZJUUUORDSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901490 950234510 /nfs/dbraw/zinc/23/45/10/950234510.db2.gz OLQRSOFLYCSYIG-BDAKNGLRSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575901490 950234491 /nfs/dbraw/zinc/23/44/91/950234491.db2.gz OLQRSOFLYCSYIG-BDAKNGLRSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901491 950232771 /nfs/dbraw/zinc/23/27/71/950232771.db2.gz OLQRSOFLYCSYIG-DTWKUNHWSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575901491 950232753 /nfs/dbraw/zinc/23/27/53/950232753.db2.gz OLQRSOFLYCSYIG-DTWKUNHWSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901492 950234840 /nfs/dbraw/zinc/23/48/40/950234840.db2.gz OLQRSOFLYCSYIG-IUCAKERBSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575901492 950234825 /nfs/dbraw/zinc/23/48/25/950234825.db2.gz OLQRSOFLYCSYIG-IUCAKERBSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575901493 950234194 /nfs/dbraw/zinc/23/41/94/950234194.db2.gz OLQRSOFLYCSYIG-RKDXNWHRSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575901493 950234177 /nfs/dbraw/zinc/23/41/77/950234177.db2.gz OLQRSOFLYCSYIG-RKDXNWHRSA-N -1 3 385.392 -0.859 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575902093 950251403 /nfs/dbraw/zinc/25/14/03/950251403.db2.gz SMTCJGFUJCWBIR-GXSJLCMTSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575902093 950251393 /nfs/dbraw/zinc/25/13/93/950251393.db2.gz SMTCJGFUJCWBIR-GXSJLCMTSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575902094 950249463 /nfs/dbraw/zinc/24/94/63/950249463.db2.gz SMTCJGFUJCWBIR-KOLCDFICSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575902094 950249445 /nfs/dbraw/zinc/24/94/45/950249445.db2.gz SMTCJGFUJCWBIR-KOLCDFICSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575902095 950251758 /nfs/dbraw/zinc/25/17/58/950251758.db2.gz SMTCJGFUJCWBIR-MWLCHTKSSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575902095 950251744 /nfs/dbraw/zinc/25/17/44/950251744.db2.gz SMTCJGFUJCWBIR-MWLCHTKSSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575902096 950251853 /nfs/dbraw/zinc/25/18/53/950251853.db2.gz SMTCJGFUJCWBIR-ONGXEEELSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575902096 950251839 /nfs/dbraw/zinc/25/18/39/950251839.db2.gz SMTCJGFUJCWBIR-ONGXEEELSA-N -1 3 384.404 -0.254 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575903406 950282304 /nfs/dbraw/zinc/28/23/04/950282304.db2.gz ZXVPYQKWIPDRMJ-GZMMTYOYSA-N -1 3 387.383 -0.288 20 0 GBADHM C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575903406 950282289 /nfs/dbraw/zinc/28/22/89/950282289.db2.gz ZXVPYQKWIPDRMJ-GZMMTYOYSA-N -1 3 387.383 -0.288 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575903408 950282577 /nfs/dbraw/zinc/28/25/77/950282577.db2.gz ZXVPYQKWIPDRMJ-KCJUWKMLSA-N -1 3 387.383 -0.288 20 0 GBADHM C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575903408 950282563 /nfs/dbraw/zinc/28/25/63/950282563.db2.gz ZXVPYQKWIPDRMJ-KCJUWKMLSA-N -1 3 387.383 -0.288 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575903410 950282080 /nfs/dbraw/zinc/28/20/80/950282080.db2.gz ZXVPYQKWIPDRMJ-KWQFWETISA-N -1 3 387.383 -0.288 20 0 GBADHM C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575903410 950282061 /nfs/dbraw/zinc/28/20/61/950282061.db2.gz ZXVPYQKWIPDRMJ-KWQFWETISA-N -1 3 387.383 -0.288 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001575903413 950281486 /nfs/dbraw/zinc/28/14/86/950281486.db2.gz ZXVPYQKWIPDRMJ-LDYMZIIASA-N -1 3 387.383 -0.288 20 0 GBADHM C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001575903413 950281462 /nfs/dbraw/zinc/28/14/62/950281462.db2.gz ZXVPYQKWIPDRMJ-LDYMZIIASA-N -1 3 387.383 -0.288 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCOCC1=O ZINC001575908660 950372613 /nfs/dbraw/zinc/37/26/13/950372613.db2.gz CVIQODLHFWHTMB-AAEUAGOBSA-N -1 3 386.416 -0.478 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCOCC1=O ZINC001575908660 950372593 /nfs/dbraw/zinc/37/25/93/950372593.db2.gz CVIQODLHFWHTMB-AAEUAGOBSA-N -1 3 386.416 -0.478 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCOCC1=O ZINC001575908663 950375592 /nfs/dbraw/zinc/37/55/92/950375592.db2.gz CVIQODLHFWHTMB-DGCLKSJQSA-N -1 3 386.416 -0.478 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCOCC1=O ZINC001575908663 950375584 /nfs/dbraw/zinc/37/55/84/950375584.db2.gz CVIQODLHFWHTMB-DGCLKSJQSA-N -1 3 386.416 -0.478 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCOCC1=O ZINC001575908665 950372556 /nfs/dbraw/zinc/37/25/56/950372556.db2.gz CVIQODLHFWHTMB-WCQYABFASA-N -1 3 386.416 -0.478 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCOCC1=O ZINC001575908665 950372539 /nfs/dbraw/zinc/37/25/39/950372539.db2.gz CVIQODLHFWHTMB-WCQYABFASA-N -1 3 386.416 -0.478 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCOCC1=O ZINC001575908666 950375098 /nfs/dbraw/zinc/37/50/98/950375098.db2.gz CVIQODLHFWHTMB-YPMHNXCESA-N -1 3 386.416 -0.478 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCOCC1=O ZINC001575908666 950375079 /nfs/dbraw/zinc/37/50/79/950375079.db2.gz CVIQODLHFWHTMB-YPMHNXCESA-N -1 3 386.416 -0.478 20 0 GBADHM C[C@H]1[C@H](NCc2nnnn2C2CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575908822 950380553 /nfs/dbraw/zinc/38/05/53/950380553.db2.gz FEZUPTZPMRUCET-GXSJLCMTSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@@H]1[C@@H](NCc2nnnn2C2CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575908824 950380411 /nfs/dbraw/zinc/38/04/11/950380411.db2.gz FEZUPTZPMRUCET-KOLCDFICSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@@H]1[C@H](NCc2nnnn2C2CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575908826 950376531 /nfs/dbraw/zinc/37/65/31/950376531.db2.gz FEZUPTZPMRUCET-MWLCHTKSSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@H]1[C@@H](NCc2nnnn2C2CC2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575908827 950377001 /nfs/dbraw/zinc/37/70/01/950377001.db2.gz FEZUPTZPMRUCET-ONGXEEELSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575909482 950398748 /nfs/dbraw/zinc/39/87/48/950398748.db2.gz GLGJVTBOGFDARS-BXKDBHETSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575909482 950398722 /nfs/dbraw/zinc/39/87/22/950398722.db2.gz GLGJVTBOGFDARS-BXKDBHETSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575909483 950395339 /nfs/dbraw/zinc/39/53/39/950395339.db2.gz GLGJVTBOGFDARS-CABZTGNLSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575909483 950395320 /nfs/dbraw/zinc/39/53/20/950395320.db2.gz GLGJVTBOGFDARS-CABZTGNLSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575909484 950397507 /nfs/dbraw/zinc/39/75/07/950397507.db2.gz GLGJVTBOGFDARS-JOYOIKCWSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575909484 950397487 /nfs/dbraw/zinc/39/74/87/950397487.db2.gz GLGJVTBOGFDARS-JOYOIKCWSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575909485 950396692 /nfs/dbraw/zinc/39/66/92/950396692.db2.gz GLGJVTBOGFDARS-SKDRFNHKSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575909485 950396675 /nfs/dbraw/zinc/39/66/75/950396675.db2.gz GLGJVTBOGFDARS-SKDRFNHKSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575910743 950428161 /nfs/dbraw/zinc/42/81/61/950428161.db2.gz BMFJZCICKISSNM-AAEUAGOBSA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575910743 950428151 /nfs/dbraw/zinc/42/81/51/950428151.db2.gz BMFJZCICKISSNM-AAEUAGOBSA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575910745 950428572 /nfs/dbraw/zinc/42/85/72/950428572.db2.gz BMFJZCICKISSNM-DGCLKSJQSA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575910745 950428563 /nfs/dbraw/zinc/42/85/63/950428563.db2.gz BMFJZCICKISSNM-DGCLKSJQSA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575910750 950429686 /nfs/dbraw/zinc/42/96/86/950429686.db2.gz BMFJZCICKISSNM-WCQYABFASA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575910750 950429678 /nfs/dbraw/zinc/42/96/78/950429678.db2.gz BMFJZCICKISSNM-WCQYABFASA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575910751 950428926 /nfs/dbraw/zinc/42/89/26/950428926.db2.gz BMFJZCICKISSNM-YPMHNXCESA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575910751 950428913 /nfs/dbraw/zinc/42/89/13/950428913.db2.gz BMFJZCICKISSNM-YPMHNXCESA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575911649 950451992 /nfs/dbraw/zinc/45/19/92/950451992.db2.gz OWIRSUFPPZXFNN-AAEUAGOBSA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575911649 950451984 /nfs/dbraw/zinc/45/19/84/950451984.db2.gz OWIRSUFPPZXFNN-AAEUAGOBSA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575911652 950451203 /nfs/dbraw/zinc/45/12/03/950451203.db2.gz OWIRSUFPPZXFNN-DGCLKSJQSA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575911652 950451185 /nfs/dbraw/zinc/45/11/85/950451185.db2.gz OWIRSUFPPZXFNN-DGCLKSJQSA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575911655 950450085 /nfs/dbraw/zinc/45/00/85/950450085.db2.gz OWIRSUFPPZXFNN-WCQYABFASA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575911655 950450066 /nfs/dbraw/zinc/45/00/66/950450066.db2.gz OWIRSUFPPZXFNN-WCQYABFASA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575911657 950450424 /nfs/dbraw/zinc/45/04/24/950450424.db2.gz OWIRSUFPPZXFNN-YPMHNXCESA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1CCNC(=O)C1 ZINC001575911657 950450404 /nfs/dbraw/zinc/45/04/04/950450404.db2.gz OWIRSUFPPZXFNN-YPMHNXCESA-N -1 3 385.432 -0.905 20 0 GBADHM C[C@@H]1[C@H](NCc2nnnn2C2CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575911690 950450874 /nfs/dbraw/zinc/45/08/74/950450874.db2.gz PFICVNMQIFEGSY-BXKDBHETSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@@H]1[C@H](NCc2nnnn2C2CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575911690 950450860 /nfs/dbraw/zinc/45/08/60/950450860.db2.gz PFICVNMQIFEGSY-BXKDBHETSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@H]1[C@@H](NCc2nnnn2C2CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575911691 950450600 /nfs/dbraw/zinc/45/06/00/950450600.db2.gz PFICVNMQIFEGSY-CABZTGNLSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@H]1[C@@H](NCc2nnnn2C2CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575911691 950450584 /nfs/dbraw/zinc/45/05/84/950450584.db2.gz PFICVNMQIFEGSY-CABZTGNLSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@H]1[C@H](NCc2nnnn2C2CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575911693 950450954 /nfs/dbraw/zinc/45/09/54/950450954.db2.gz PFICVNMQIFEGSY-JOYOIKCWSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@H]1[C@H](NCc2nnnn2C2CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575911693 950450931 /nfs/dbraw/zinc/45/09/31/950450931.db2.gz PFICVNMQIFEGSY-JOYOIKCWSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@@H]1[C@@H](NCc2nnnn2C2CC2)CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575911695 950451311 /nfs/dbraw/zinc/45/13/11/950451311.db2.gz PFICVNMQIFEGSY-SKDRFNHKSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@@H]1[C@@H](NCc2nnnn2C2CC2)CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575911695 950451291 /nfs/dbraw/zinc/45/12/91/950451291.db2.gz PFICVNMQIFEGSY-SKDRFNHKSA-N -1 3 383.420 -0.091 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001575912192 950462082 /nfs/dbraw/zinc/46/20/82/950462082.db2.gz QIFXAWQZVZCSKY-GXSJLCMTSA-N -1 3 385.388 -0.785 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001575912192 950462068 /nfs/dbraw/zinc/46/20/68/950462068.db2.gz QIFXAWQZVZCSKY-GXSJLCMTSA-N -1 3 385.388 -0.785 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001575912193 950461610 /nfs/dbraw/zinc/46/16/10/950461610.db2.gz QIFXAWQZVZCSKY-KOLCDFICSA-N -1 3 385.388 -0.785 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001575912193 950461597 /nfs/dbraw/zinc/46/15/97/950461597.db2.gz QIFXAWQZVZCSKY-KOLCDFICSA-N -1 3 385.388 -0.785 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001575912194 950460936 /nfs/dbraw/zinc/46/09/36/950460936.db2.gz QIFXAWQZVZCSKY-MWLCHTKSSA-N -1 3 385.388 -0.785 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001575912194 950460927 /nfs/dbraw/zinc/46/09/27/950460927.db2.gz QIFXAWQZVZCSKY-MWLCHTKSSA-N -1 3 385.388 -0.785 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001575912195 950460981 /nfs/dbraw/zinc/46/09/81/950460981.db2.gz QIFXAWQZVZCSKY-ONGXEEELSA-N -1 3 385.388 -0.785 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)CCN1C(=O)CN1C(=O)CNC1=O ZINC001575912195 950460972 /nfs/dbraw/zinc/46/09/72/950460972.db2.gz QIFXAWQZVZCSKY-ONGXEEELSA-N -1 3 385.388 -0.785 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575912606 950469382 /nfs/dbraw/zinc/46/93/82/950469382.db2.gz HNDQFEAIZMSROH-CMPLNLGQSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575912606 950469369 /nfs/dbraw/zinc/46/93/69/950469369.db2.gz HNDQFEAIZMSROH-CMPLNLGQSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575912608 950468015 /nfs/dbraw/zinc/46/80/15/950468015.db2.gz HNDQFEAIZMSROH-JQWIXIFHSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575912608 950468003 /nfs/dbraw/zinc/46/80/03/950468003.db2.gz HNDQFEAIZMSROH-JQWIXIFHSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575912609 950469565 /nfs/dbraw/zinc/46/95/65/950469565.db2.gz HNDQFEAIZMSROH-PWSUYJOCSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575912609 950469555 /nfs/dbraw/zinc/46/95/55/950469555.db2.gz HNDQFEAIZMSROH-PWSUYJOCSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575912613 950468973 /nfs/dbraw/zinc/46/89/73/950468973.db2.gz HNDQFEAIZMSROH-ZYHUDNBSSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575912613 950468951 /nfs/dbraw/zinc/46/89/51/950468951.db2.gz HNDQFEAIZMSROH-ZYHUDNBSSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575914443 950492933 /nfs/dbraw/zinc/49/29/33/950492933.db2.gz KZKWJHJSZLBDNQ-BXKDBHETSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575914443 950492922 /nfs/dbraw/zinc/49/29/22/950492922.db2.gz KZKWJHJSZLBDNQ-BXKDBHETSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575914445 950490334 /nfs/dbraw/zinc/49/03/34/950490334.db2.gz KZKWJHJSZLBDNQ-CABZTGNLSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575914445 950490318 /nfs/dbraw/zinc/49/03/18/950490318.db2.gz KZKWJHJSZLBDNQ-CABZTGNLSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575914447 950489917 /nfs/dbraw/zinc/48/99/17/950489917.db2.gz KZKWJHJSZLBDNQ-JOYOIKCWSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575914447 950489901 /nfs/dbraw/zinc/48/99/01/950489901.db2.gz KZKWJHJSZLBDNQ-JOYOIKCWSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575914449 950492648 /nfs/dbraw/zinc/49/26/48/950492648.db2.gz KZKWJHJSZLBDNQ-SKDRFNHKSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575914449 950492633 /nfs/dbraw/zinc/49/26/33/950492633.db2.gz KZKWJHJSZLBDNQ-SKDRFNHKSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc3nnnn3n2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575925836 950693379 /nfs/dbraw/zinc/69/33/79/950693379.db2.gz VDSITGDBGNHHLW-BDAKNGLRSA-N -1 3 380.376 -0.257 20 0 GBADHM C[C@@H]1[C@@H](Nc2ccc3nnnn3n2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575925836 950693367 /nfs/dbraw/zinc/69/33/67/950693367.db2.gz VDSITGDBGNHHLW-BDAKNGLRSA-N -1 3 380.376 -0.257 20 0 GBADHM C[C@H]1[C@H](Nc2ccc3nnnn3n2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575925837 950693977 /nfs/dbraw/zinc/69/39/77/950693977.db2.gz VDSITGDBGNHHLW-DTWKUNHWSA-N -1 3 380.376 -0.257 20 0 GBADHM C[C@H]1[C@H](Nc2ccc3nnnn3n2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575925837 950693972 /nfs/dbraw/zinc/69/39/72/950693972.db2.gz VDSITGDBGNHHLW-DTWKUNHWSA-N -1 3 380.376 -0.257 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc3nnnn3n2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575925838 950691986 /nfs/dbraw/zinc/69/19/86/950691986.db2.gz VDSITGDBGNHHLW-IUCAKERBSA-N -1 3 380.376 -0.257 20 0 GBADHM C[C@H]1[C@@H](Nc2ccc3nnnn3n2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575925838 950691977 /nfs/dbraw/zinc/69/19/77/950691977.db2.gz VDSITGDBGNHHLW-IUCAKERBSA-N -1 3 380.376 -0.257 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc3nnnn3n2)CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001575925839 950691534 /nfs/dbraw/zinc/69/15/34/950691534.db2.gz VDSITGDBGNHHLW-RKDXNWHRSA-N -1 3 380.376 -0.257 20 0 GBADHM C[C@@H]1[C@H](Nc2ccc3nnnn3n2)CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575925839 950691517 /nfs/dbraw/zinc/69/15/17/950691517.db2.gz VDSITGDBGNHHLW-RKDXNWHRSA-N -1 3 380.376 -0.257 20 0 GBADHM C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCOCC1 ZINC001575926683 950717000 /nfs/dbraw/zinc/71/70/00/950717000.db2.gz LARJIIAGSIXTDM-CHWSQXEVSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCN1CCOCC1 ZINC001575926683 950716985 /nfs/dbraw/zinc/71/69/85/950716985.db2.gz LARJIIAGSIXTDM-CHWSQXEVSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCOCC1 ZINC001575926685 950716889 /nfs/dbraw/zinc/71/68/89/950716889.db2.gz LARJIIAGSIXTDM-OLZOCXBDSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCN1CCOCC1 ZINC001575926685 950716873 /nfs/dbraw/zinc/71/68/73/950716873.db2.gz LARJIIAGSIXTDM-OLZOCXBDSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCOCC1 ZINC001575926687 950718919 /nfs/dbraw/zinc/71/89/19/950718919.db2.gz LARJIIAGSIXTDM-QWHCGFSZSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCN1CCOCC1 ZINC001575926687 950718904 /nfs/dbraw/zinc/71/89/04/950718904.db2.gz LARJIIAGSIXTDM-QWHCGFSZSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCN1CCOCC1 ZINC001575926689 950717487 /nfs/dbraw/zinc/71/74/87/950717487.db2.gz LARJIIAGSIXTDM-STQMWFEESA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCN1CCOCC1 ZINC001575926689 950717462 /nfs/dbraw/zinc/71/74/62/950717462.db2.gz LARJIIAGSIXTDM-STQMWFEESA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575933790 950846723 /nfs/dbraw/zinc/84/67/23/950846723.db2.gz PSPKCHLCIIUEEE-BXKDBHETSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575933790 950846707 /nfs/dbraw/zinc/84/67/07/950846707.db2.gz PSPKCHLCIIUEEE-BXKDBHETSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575933795 950844197 /nfs/dbraw/zinc/84/41/97/950844197.db2.gz PSPKCHLCIIUEEE-CABZTGNLSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575933795 950844178 /nfs/dbraw/zinc/84/41/78/950844178.db2.gz PSPKCHLCIIUEEE-CABZTGNLSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575933796 950846916 /nfs/dbraw/zinc/84/69/16/950846916.db2.gz PSPKCHLCIIUEEE-JOYOIKCWSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575933796 950846890 /nfs/dbraw/zinc/84/68/90/950846890.db2.gz PSPKCHLCIIUEEE-JOYOIKCWSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575933799 950848164 /nfs/dbraw/zinc/84/81/64/950848164.db2.gz PSPKCHLCIIUEEE-SKDRFNHKSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)C1CS(=O)(=O)C1 ZINC001575933799 950848144 /nfs/dbraw/zinc/84/81/44/950848144.db2.gz PSPKCHLCIIUEEE-SKDRFNHKSA-N -1 3 377.430 -0.292 20 0 GBADHM C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCN1CCOCC1 ZINC001575935070 950873563 /nfs/dbraw/zinc/87/35/63/950873563.db2.gz UUBXMUGQJTXFCN-CHWSQXEVSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCN1CCOCC1 ZINC001575935070 950873548 /nfs/dbraw/zinc/87/35/48/950873548.db2.gz UUBXMUGQJTXFCN-CHWSQXEVSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCN1CCOCC1 ZINC001575935072 950870979 /nfs/dbraw/zinc/87/09/79/950870979.db2.gz UUBXMUGQJTXFCN-OLZOCXBDSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCN1CCOCC1 ZINC001575935072 950870961 /nfs/dbraw/zinc/87/09/61/950870961.db2.gz UUBXMUGQJTXFCN-OLZOCXBDSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCN1CCOCC1 ZINC001575935074 950871551 /nfs/dbraw/zinc/87/15/51/950871551.db2.gz UUBXMUGQJTXFCN-QWHCGFSZSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCN1CCOCC1 ZINC001575935074 950871542 /nfs/dbraw/zinc/87/15/42/950871542.db2.gz UUBXMUGQJTXFCN-QWHCGFSZSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CCN1CCOCC1 ZINC001575935075 950870278 /nfs/dbraw/zinc/87/02/78/950870278.db2.gz UUBXMUGQJTXFCN-STQMWFEESA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CCN1CCOCC1 ZINC001575935075 950870263 /nfs/dbraw/zinc/87/02/63/950870263.db2.gz UUBXMUGQJTXFCN-STQMWFEESA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CCNC(N)=O ZINC001575935096 950874583 /nfs/dbraw/zinc/87/45/83/950874583.db2.gz VDNDYUIWKGVBLO-GZMMTYOYSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CCNC(N)=O ZINC001575935096 950874552 /nfs/dbraw/zinc/87/45/52/950874552.db2.gz VDNDYUIWKGVBLO-GZMMTYOYSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CCNC(N)=O ZINC001575935099 950870219 /nfs/dbraw/zinc/87/02/19/950870219.db2.gz VDNDYUIWKGVBLO-KCJUWKMLSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CCNC(N)=O ZINC001575935099 950870204 /nfs/dbraw/zinc/87/02/04/950870204.db2.gz VDNDYUIWKGVBLO-KCJUWKMLSA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@H]1[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CCNC(N)=O ZINC001575935102 950872421 /nfs/dbraw/zinc/87/24/21/950872421.db2.gz VDNDYUIWKGVBLO-KWQFWETISA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@H]1[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CCNC(N)=O ZINC001575935102 950872405 /nfs/dbraw/zinc/87/24/05/950872405.db2.gz VDNDYUIWKGVBLO-KWQFWETISA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H]1[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CCN1C(=O)CCNC(N)=O ZINC001575935104 950873246 /nfs/dbraw/zinc/87/32/46/950873246.db2.gz VDNDYUIWKGVBLO-LDYMZIIASA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H]1[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CCN1C(=O)CCNC(N)=O ZINC001575935104 950873228 /nfs/dbraw/zinc/87/32/28/950873228.db2.gz VDNDYUIWKGVBLO-LDYMZIIASA-N -1 3 377.384 -0.140 20 0 GBADHM C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575936465 950910848 /nfs/dbraw/zinc/91/08/48/950910848.db2.gz FFZPYROJPBIWPV-CHWSQXEVSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCN1CCOCC1 ZINC001575936465 950910834 /nfs/dbraw/zinc/91/08/34/950910834.db2.gz FFZPYROJPBIWPV-CHWSQXEVSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575936466 950912880 /nfs/dbraw/zinc/91/28/80/950912880.db2.gz FFZPYROJPBIWPV-OLZOCXBDSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCN1CCOCC1 ZINC001575936466 950912863 /nfs/dbraw/zinc/91/28/63/950912863.db2.gz FFZPYROJPBIWPV-OLZOCXBDSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575936467 950913590 /nfs/dbraw/zinc/91/35/90/950913590.db2.gz FFZPYROJPBIWPV-QWHCGFSZSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCN1CCOCC1 ZINC001575936467 950913570 /nfs/dbraw/zinc/91/35/70/950913570.db2.gz FFZPYROJPBIWPV-QWHCGFSZSA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCN1CCOCC1 ZINC001575936468 950913266 /nfs/dbraw/zinc/91/32/66/950913266.db2.gz FFZPYROJPBIWPV-STQMWFEESA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCN1CCOCC1 ZINC001575936468 950913254 /nfs/dbraw/zinc/91/32/54/950913254.db2.gz FFZPYROJPBIWPV-STQMWFEESA-N -1 3 387.448 -0.220 20 0 GBADHM C[C@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575937183 950940986 /nfs/dbraw/zinc/94/09/86/950940986.db2.gz JNCMEJDQLRRJIC-CMPLNLGQSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575937183 950940968 /nfs/dbraw/zinc/94/09/68/950940968.db2.gz JNCMEJDQLRRJIC-CMPLNLGQSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575937189 950943838 /nfs/dbraw/zinc/94/38/38/950943838.db2.gz JNCMEJDQLRRJIC-JQWIXIFHSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575937189 950943814 /nfs/dbraw/zinc/94/38/14/950943814.db2.gz JNCMEJDQLRRJIC-JQWIXIFHSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575937193 950941156 /nfs/dbraw/zinc/94/11/56/950941156.db2.gz JNCMEJDQLRRJIC-PWSUYJOCSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@@H]1[C@@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575937193 950941140 /nfs/dbraw/zinc/94/11/40/950941140.db2.gz JNCMEJDQLRRJIC-PWSUYJOCSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@@H]1[C@H](Nc2ncccc2-c2nn[n-]n2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575937197 950941987 /nfs/dbraw/zinc/94/19/87/950941987.db2.gz JNCMEJDQLRRJIC-ZYHUDNBSSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@@H]1[C@H](Nc2ncccc2-c2nnn[n-]2)CCN1C(=O)Cn1ncn(C)c1=O ZINC001575937197 950941969 /nfs/dbraw/zinc/94/19/69/950941969.db2.gz JNCMEJDQLRRJIC-ZYHUDNBSSA-N -1 3 384.404 -0.742 20 0 GBADHM C[C@@H]1C[C@@H](C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC(=O)N1 ZINC001575938748 950990465 /nfs/dbraw/zinc/99/04/65/950990465.db2.gz NCABCURFAKFAJL-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H]1C[C@@H](C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC(=O)N1 ZINC001575938748 950990443 /nfs/dbraw/zinc/99/04/43/950990443.db2.gz NCABCURFAKFAJL-GHMZBOCLSA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H]1C[C@H](C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC(=O)N1 ZINC001575938750 950990257 /nfs/dbraw/zinc/99/02/57/950990257.db2.gz NCABCURFAKFAJL-MNOVXSKESA-N -1 3 388.432 -0.360 20 0 GBADHM C[C@@H]1C[C@H](C(=O)N(C)CCN(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC(=O)N1 ZINC001575938750 950990235 /nfs/dbraw/zinc/99/02/35/950990235.db2.gz 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CDSTWROMJZRNMN-AAEUAGOBSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001576163584 949539224 /nfs/dbraw/zinc/53/92/24/949539224.db2.gz CDSTWROMJZRNMN-AAEUAGOBSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001576163585 949541445 /nfs/dbraw/zinc/54/14/45/949541445.db2.gz CDSTWROMJZRNMN-DGCLKSJQSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001576163585 949541422 /nfs/dbraw/zinc/54/14/22/949541422.db2.gz CDSTWROMJZRNMN-DGCLKSJQSA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H]1CCCN(C(=O)C(=O)NC[C@H](CO)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001576163587 949540056 /nfs/dbraw/zinc/54/00/56/949540056.db2.gz CDSTWROMJZRNMN-WCQYABFASA-N -1 3 388.432 -0.591 20 0 GBADHM C[C@H]1CCCN(C(=O)C(=O)NC[C@H](CO)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001576163587 949540048 /nfs/dbraw/zinc/54/00/48/949540048.db2.gz CDSTWROMJZRNMN-WCQYABFASA-N -1 3 388.432 -0.591 20 0 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LJTKSQNDIWLMNO-YPMHNXCESA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576192067 950224042 /nfs/dbraw/zinc/22/40/42/950224042.db2.gz LJTKSQNDIWLMNO-YPMHNXCESA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576192212 950231335 /nfs/dbraw/zinc/23/13/35/950231335.db2.gz KWHKYFGOKVZOBW-NXEZZACHSA-N -1 3 384.404 -0.159 20 0 GBADHM C[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576192214 950230983 /nfs/dbraw/zinc/23/09/83/950230983.db2.gz KWHKYFGOKVZOBW-UWVGGRQHSA-N -1 3 384.404 -0.159 20 0 GBADHM C[C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576192215 950231654 /nfs/dbraw/zinc/23/16/54/950231654.db2.gz KWHKYFGOKVZOBW-VHSXEESVSA-N -1 3 384.404 -0.159 20 0 GBADHM C[C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576192217 950235441 /nfs/dbraw/zinc/23/54/41/950235441.db2.gz KWHKYFGOKVZOBW-ZJUUUORDSA-N -1 3 384.404 -0.159 20 0 GBADHM CC1CCN(CC(=O)N(C)C[C@H](O)CNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001576192558 950252522 /nfs/dbraw/zinc/25/25/22/950252522.db2.gz NQZZKYBOZJKIER-CYBMUJFWSA-N -1 3 389.464 -0.958 20 0 GBADHM CC1CCN(CC(=O)N(C)C[C@@H](O)CNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001576192560 950251139 /nfs/dbraw/zinc/25/11/39/950251139.db2.gz NQZZKYBOZJKIER-ZDUSSCGKSA-N -1 3 389.464 -0.958 20 0 GBADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNCc1nnn(C)n1 ZINC001576192571 950250582 /nfs/dbraw/zinc/25/05/82/950250582.db2.gz PLDPWBFGFZSXLY-CMPLNLGQSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNCc1nnn(C)n1 ZINC001576192573 950252407 /nfs/dbraw/zinc/25/24/07/950252407.db2.gz PLDPWBFGFZSXLY-JQWIXIFHSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNCc1nnn(C)n1 ZINC001576192575 950252239 /nfs/dbraw/zinc/25/22/39/950252239.db2.gz PLDPWBFGFZSXLY-PWSUYJOCSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1CNCc1nnn(C)n1 ZINC001576192577 950250882 /nfs/dbraw/zinc/25/08/82/950250882.db2.gz PLDPWBFGFZSXLY-ZYHUDNBSSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNCc1nnn(C)n1 ZINC001576192595 950254982 /nfs/dbraw/zinc/25/49/82/950254982.db2.gz PRRUYIHDWWCDHO-GHMZBOCLSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNCc1nnn(C)n1 ZINC001576192596 950258332 /nfs/dbraw/zinc/25/83/32/950258332.db2.gz PRRUYIHDWWCDHO-MNOVXSKESA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H]1CNCc1nnn(C)n1 ZINC001576192598 950255916 /nfs/dbraw/zinc/25/59/16/950255916.db2.gz PRRUYIHDWWCDHO-QWRGUYRKSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNCc1nnn(C)n1 ZINC001576192600 950255157 /nfs/dbraw/zinc/25/51/57/950255157.db2.gz PRRUYIHDWWCDHO-WDEREUQCSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576193427 950296318 /nfs/dbraw/zinc/29/63/18/950296318.db2.gz UVMREGXGVCBXDJ-NEPJUHHUSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576193427 950296300 /nfs/dbraw/zinc/29/63/00/950296300.db2.gz UVMREGXGVCBXDJ-NEPJUHHUSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576193429 950297837 /nfs/dbraw/zinc/29/78/37/950297837.db2.gz UVMREGXGVCBXDJ-NWDGAFQWSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576193429 950297811 /nfs/dbraw/zinc/29/78/11/950297811.db2.gz UVMREGXGVCBXDJ-NWDGAFQWSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576193430 950297650 /nfs/dbraw/zinc/29/76/50/950297650.db2.gz UVMREGXGVCBXDJ-RYUDHWBXSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576193430 950297627 /nfs/dbraw/zinc/29/76/27/950297627.db2.gz UVMREGXGVCBXDJ-RYUDHWBXSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576193432 950295455 /nfs/dbraw/zinc/29/54/55/950295455.db2.gz UVMREGXGVCBXDJ-VXGBXAGGSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576193432 950295437 /nfs/dbraw/zinc/29/54/37/950295437.db2.gz UVMREGXGVCBXDJ-VXGBXAGGSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNCc1nnn(C)n1 ZINC001576193632 950304595 /nfs/dbraw/zinc/30/45/95/950304595.db2.gz VXAUQPZCIKNVHM-CMPLNLGQSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNCc1nnn(C)n1 ZINC001576193632 950304574 /nfs/dbraw/zinc/30/45/74/950304574.db2.gz VXAUQPZCIKNVHM-CMPLNLGQSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNCc1nnn(C)n1 ZINC001576193634 950306816 /nfs/dbraw/zinc/30/68/16/950306816.db2.gz VXAUQPZCIKNVHM-JQWIXIFHSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNCc1nnn(C)n1 ZINC001576193634 950306797 /nfs/dbraw/zinc/30/67/97/950306797.db2.gz VXAUQPZCIKNVHM-JQWIXIFHSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNCc1nnn(C)n1 ZINC001576193636 950307476 /nfs/dbraw/zinc/30/74/76/950307476.db2.gz VXAUQPZCIKNVHM-PWSUYJOCSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNCc1nnn(C)n1 ZINC001576193636 950307452 /nfs/dbraw/zinc/30/74/52/950307452.db2.gz VXAUQPZCIKNVHM-PWSUYJOCSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576193637 950306991 /nfs/dbraw/zinc/30/69/91/950306991.db2.gz VAHXQIMNANRIHY-CMPLNLGQSA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576193637 950306972 /nfs/dbraw/zinc/30/69/72/950306972.db2.gz VAHXQIMNANRIHY-CMPLNLGQSA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNCc1nnn(C)n1 ZINC001576193638 950305221 /nfs/dbraw/zinc/30/52/21/950305221.db2.gz VXAUQPZCIKNVHM-ZYHUDNBSSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNCc1nnn(C)n1 ZINC001576193638 950305198 /nfs/dbraw/zinc/30/51/98/950305198.db2.gz VXAUQPZCIKNVHM-ZYHUDNBSSA-N -1 3 385.436 -0.394 20 0 GBADHM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576193639 950307255 /nfs/dbraw/zinc/30/72/55/950307255.db2.gz VAHXQIMNANRIHY-JQWIXIFHSA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576193639 950307235 /nfs/dbraw/zinc/30/72/35/950307235.db2.gz VAHXQIMNANRIHY-JQWIXIFHSA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576193641 950306465 /nfs/dbraw/zinc/30/64/65/950306465.db2.gz VAHXQIMNANRIHY-PWSUYJOCSA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576193641 950306442 /nfs/dbraw/zinc/30/64/42/950306442.db2.gz VAHXQIMNANRIHY-PWSUYJOCSA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001576193643 950305906 /nfs/dbraw/zinc/30/59/06/950305906.db2.gz VAHXQIMNANRIHY-ZYHUDNBSSA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001576193643 950305887 /nfs/dbraw/zinc/30/58/87/950305887.db2.gz VAHXQIMNANRIHY-ZYHUDNBSSA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576194052 950329155 /nfs/dbraw/zinc/32/91/55/950329155.db2.gz YBMUELAEVRWLTF-NEPJUHHUSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576194052 950329137 /nfs/dbraw/zinc/32/91/37/950329137.db2.gz YBMUELAEVRWLTF-NEPJUHHUSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576194053 950325357 /nfs/dbraw/zinc/32/53/57/950325357.db2.gz YBMUELAEVRWLTF-NWDGAFQWSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576194053 950325335 /nfs/dbraw/zinc/32/53/35/950325335.db2.gz YBMUELAEVRWLTF-NWDGAFQWSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576194054 950327318 /nfs/dbraw/zinc/32/73/18/950327318.db2.gz YBMUELAEVRWLTF-RYUDHWBXSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@H]1CCN(C(=O)Cn2ncnn2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576194054 950327290 /nfs/dbraw/zinc/32/72/90/950327290.db2.gz YBMUELAEVRWLTF-RYUDHWBXSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576194055 950325814 /nfs/dbraw/zinc/32/58/14/950325814.db2.gz YBMUELAEVRWLTF-VXGBXAGGSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@@H]1CCN(C(=O)Cn2ncnn2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576194055 950325791 /nfs/dbraw/zinc/32/57/91/950325791.db2.gz YBMUELAEVRWLTF-VXGBXAGGSA-N -1 3 383.420 -0.155 20 0 GBADHM C[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576194436 950342670 /nfs/dbraw/zinc/34/26/70/950342670.db2.gz ZXQLQDMSHQQTCV-NXEZZACHSA-N -1 3 384.404 -0.159 20 0 GBADHM C[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576194438 950340224 /nfs/dbraw/zinc/34/02/24/950340224.db2.gz ZXQLQDMSHQQTCV-UWVGGRQHSA-N -1 3 384.404 -0.159 20 0 GBADHM C[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576194440 950343741 /nfs/dbraw/zinc/34/37/41/950343741.db2.gz ZXQLQDMSHQQTCV-VHSXEESVSA-N -1 3 384.404 -0.159 20 0 GBADHM C[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576194442 950342264 /nfs/dbraw/zinc/34/22/64/950342264.db2.gz ZXQLQDMSHQQTCV-ZJUUUORDSA-N -1 3 384.404 -0.159 20 0 GBADHM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576194551 950349098 /nfs/dbraw/zinc/34/90/98/950349098.db2.gz ZZEPYNRIGHZLQJ-GHMZBOCLSA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576194551 950349083 /nfs/dbraw/zinc/34/90/83/950349083.db2.gz ZZEPYNRIGHZLQJ-GHMZBOCLSA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576194552 950347310 /nfs/dbraw/zinc/34/73/10/950347310.db2.gz ZZEPYNRIGHZLQJ-MNOVXSKESA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576194552 950347289 /nfs/dbraw/zinc/34/72/89/950347289.db2.gz ZZEPYNRIGHZLQJ-MNOVXSKESA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001576194553 950348342 /nfs/dbraw/zinc/34/83/42/950348342.db2.gz ZZEPYNRIGHZLQJ-QWRGUYRKSA-N -1 3 383.420 -0.005 20 0 GBADHM C[C@H]1CCN(C(=O)c2nnn(C)n2)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001576194553 950348323 /nfs/dbraw/zinc/34/83/23/950348323.db2.gz ZZEPYNRIGHZLQJ-QWRGUYRKSA-N -1 3 383.420 -0.005 20 0 GBADHM 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KJXUSGOIDRVAGE-KGLIPLIRSA-N -1 3 387.448 -0.946 20 0 GBADHM CC1CCN(CC(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nn3)C[C@H]2O)CC1 ZINC001576207859 950602387 /nfs/dbraw/zinc/60/23/87/950602387.db2.gz KJXUSGOIDRVAGE-ZIAGYGMSSA-N -1 3 387.448 -0.946 20 0 GBADHM CC1CCN(CC(=O)N[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@@H]2O)CC1 ZINC001576208990 950623354 /nfs/dbraw/zinc/62/33/54/950623354.db2.gz XRFRZCBRXKPXJU-OLZOCXBDSA-N -1 3 387.448 -0.946 20 0 GBADHM CC1CCN(CC(=O)N[C@@H]2[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)CC1 ZINC001576213526 950631506 /nfs/dbraw/zinc/63/15/06/950631506.db2.gz BTSLHOIZCOZKJU-LAQFHYBYSA-N -1 3 383.460 -0.061 20 0 GBADHM CC1CCN(CC(=O)N[C@@H]2[C@H]3CN(c4nccnc4-c4nnn[n-]4)C[C@H]32)CC1 ZINC001576214231 950660844 /nfs/dbraw/zinc/66/08/44/950660844.db2.gz NOGVJLMUJFYKDI-NHAGDIPZSA-N -1 3 383.460 -0.061 20 0 GBADHM C[C@H]1CCc2nc(NC(=O)Cn3ccc(=O)n(C)c3=O)c(-c3nn[n-]n3)cc2C1 ZINC001576215170 950692269 /nfs/dbraw/zinc/69/22/69/950692269.db2.gz DNTSECYRRKFFHS-JTQLQIEISA-N -1 3 396.411 -0.114 20 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C[C@H]1CN(C(=O)C(C)(C)C(N)=O)C[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001576219966 950820952 /nfs/dbraw/zinc/82/09/52/950820952.db2.gz PIQMLGPUVICRJA-ONGXEEELSA-N -1 3 388.432 -0.469 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576221040 950839589 /nfs/dbraw/zinc/83/95/89/950839589.db2.gz ZABUCGUTZHJOSV-NOZJJQNGSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576221040 950839575 /nfs/dbraw/zinc/83/95/75/950839575.db2.gz ZABUCGUTZHJOSV-NOZJJQNGSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576221042 950842696 /nfs/dbraw/zinc/84/26/96/950842696.db2.gz ZABUCGUTZHJOSV-RNCFNFMXSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576221042 950842674 /nfs/dbraw/zinc/84/26/74/950842674.db2.gz ZABUCGUTZHJOSV-RNCFNFMXSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576221044 950843761 /nfs/dbraw/zinc/84/37/61/950843761.db2.gz ZABUCGUTZHJOSV-TVQRCGJNSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576221044 950843736 /nfs/dbraw/zinc/84/37/36/950843736.db2.gz ZABUCGUTZHJOSV-TVQRCGJNSA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001576221047 950849463 /nfs/dbraw/zinc/84/94/63/950849463.db2.gz ZABUCGUTZHJOSV-ZANVPECISA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H]1CN(C(=O)C(=O)NCC2CC2)C[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001576221047 950849447 /nfs/dbraw/zinc/84/94/47/950849447.db2.gz ZABUCGUTZHJOSV-ZANVPECISA-N -1 3 386.416 -0.702 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576228087 950929780 /nfs/dbraw/zinc/92/97/80/950929780.db2.gz IVFDFCWAJURQHC-GWCFXTLKSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576228087 950929765 /nfs/dbraw/zinc/92/97/65/950929765.db2.gz IVFDFCWAJURQHC-GWCFXTLKSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576228089 950927571 /nfs/dbraw/zinc/92/75/71/950927571.db2.gz IVFDFCWAJURQHC-GXFFZTMASA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576228089 950927548 /nfs/dbraw/zinc/92/75/48/950927548.db2.gz IVFDFCWAJURQHC-GXFFZTMASA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576228091 950929069 /nfs/dbraw/zinc/92/90/69/950929069.db2.gz IVFDFCWAJURQHC-MFKMUULPSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576228091 950929053 /nfs/dbraw/zinc/92/90/53/950929053.db2.gz IVFDFCWAJURQHC-MFKMUULPSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576228093 950929672 /nfs/dbraw/zinc/92/96/72/950929672.db2.gz IVFDFCWAJURQHC-ZWNOBZJWSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576228093 950929647 /nfs/dbraw/zinc/92/96/47/950929647.db2.gz IVFDFCWAJURQHC-ZWNOBZJWSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576228500 950943987 /nfs/dbraw/zinc/94/39/87/950943987.db2.gz KKADDNCEAZROFV-GWCFXTLKSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001576228500 950943970 /nfs/dbraw/zinc/94/39/70/950943970.db2.gz KKADDNCEAZROFV-GWCFXTLKSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576228502 950944887 /nfs/dbraw/zinc/94/48/87/950944887.db2.gz KKADDNCEAZROFV-GXFFZTMASA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001576228502 950944875 /nfs/dbraw/zinc/94/48/75/950944875.db2.gz KKADDNCEAZROFV-GXFFZTMASA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576228505 950942713 /nfs/dbraw/zinc/94/27/13/950942713.db2.gz KKADDNCEAZROFV-MFKMUULPSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001576228505 950942697 /nfs/dbraw/zinc/94/26/97/950942697.db2.gz KKADDNCEAZROFV-MFKMUULPSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001576228507 950944811 /nfs/dbraw/zinc/94/48/11/950944811.db2.gz KKADDNCEAZROFV-ZWNOBZJWSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001576228507 950944796 /nfs/dbraw/zinc/94/47/96/950944796.db2.gz KKADDNCEAZROFV-ZWNOBZJWSA-N -1 3 391.457 -0.045 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576228802 950953576 /nfs/dbraw/zinc/95/35/76/950953576.db2.gz LBDVNSZTRWIPER-BXKDBHETSA-N -1 3 377.430 -0.435 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576228802 950953558 /nfs/dbraw/zinc/95/35/58/950953558.db2.gz LBDVNSZTRWIPER-BXKDBHETSA-N -1 3 377.430 -0.435 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576228805 950953008 /nfs/dbraw/zinc/95/30/08/950953008.db2.gz LBDVNSZTRWIPER-CABZTGNLSA-N -1 3 377.430 -0.435 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576228805 950952993 /nfs/dbraw/zinc/95/29/93/950952993.db2.gz LBDVNSZTRWIPER-CABZTGNLSA-N -1 3 377.430 -0.435 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576228807 950955477 /nfs/dbraw/zinc/95/54/77/950955477.db2.gz LBDVNSZTRWIPER-JOYOIKCWSA-N -1 3 377.430 -0.435 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576228807 950955452 /nfs/dbraw/zinc/95/54/52/950955452.db2.gz LBDVNSZTRWIPER-JOYOIKCWSA-N -1 3 377.430 -0.435 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001576228809 950953834 /nfs/dbraw/zinc/95/38/34/950953834.db2.gz LBDVNSZTRWIPER-SKDRFNHKSA-N -1 3 377.430 -0.435 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001576228809 950953818 /nfs/dbraw/zinc/95/38/18/950953818.db2.gz LBDVNSZTRWIPER-SKDRFNHKSA-N -1 3 377.430 -0.435 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576228851 950953276 /nfs/dbraw/zinc/95/32/76/950953276.db2.gz LGEBKBNWCYUSSR-GHMZBOCLSA-N -1 3 391.457 -0.187 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576228851 950953265 /nfs/dbraw/zinc/95/32/65/950953265.db2.gz LGEBKBNWCYUSSR-GHMZBOCLSA-N -1 3 391.457 -0.187 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576228853 950954378 /nfs/dbraw/zinc/95/43/78/950954378.db2.gz LGEBKBNWCYUSSR-MNOVXSKESA-N -1 3 391.457 -0.187 20 0 GBADHM C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576228853 950954361 /nfs/dbraw/zinc/95/43/61/950954361.db2.gz LGEBKBNWCYUSSR-MNOVXSKESA-N -1 3 391.457 -0.187 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576228854 950954488 /nfs/dbraw/zinc/95/44/88/950954488.db2.gz LGEBKBNWCYUSSR-QWRGUYRKSA-N -1 3 391.457 -0.187 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576228854 950954481 /nfs/dbraw/zinc/95/44/81/950954481.db2.gz LGEBKBNWCYUSSR-QWRGUYRKSA-N -1 3 391.457 -0.187 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1ncccc1-c1nn[n-]n1 ZINC001576228856 950954958 /nfs/dbraw/zinc/95/49/58/950954958.db2.gz LGEBKBNWCYUSSR-WDEREUQCSA-N -1 3 391.457 -0.187 20 0 GBADHM C[C@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1CNc1ncccc1-c1nnn[n-]1 ZINC001576228856 950954952 /nfs/dbraw/zinc/95/49/52/950954952.db2.gz LGEBKBNWCYUSSR-WDEREUQCSA-N -1 3 391.457 -0.187 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001588554403 959045184 /nfs/dbraw/zinc/04/51/84/959045184.db2.gz PEWSSOCXFVIYJZ-DOTOQJQBSA-N -1 3 388.468 -0.006 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001588554405 959044928 /nfs/dbraw/zinc/04/49/28/959044928.db2.gz PEWSSOCXFVIYJZ-NVXWUHKLSA-N -1 3 388.468 -0.006 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001588554406 959046068 /nfs/dbraw/zinc/04/60/68/959046068.db2.gz PEWSSOCXFVIYJZ-RDJZCZTQSA-N -1 3 388.468 -0.006 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)C(=O)[O-])CC1 ZINC001588554407 959045373 /nfs/dbraw/zinc/04/53/73/959045373.db2.gz PEWSSOCXFVIYJZ-WBVHZDCISA-N -1 3 388.468 -0.006 20 0 GBADHM 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CO[C@H]1COCC[C@H]1CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001636301299 1071074441 /nfs/dbraw/zinc/07/44/41/1071074441.db2.gz ITCWVALDGJEKQR-WPRPVWTQSA-N -1 3 376.207 -0.121 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1F ZINC001636344982 1071079089 /nfs/dbraw/zinc/07/90/89/1071079089.db2.gz IGJANFCSFWUBMJ-PHIMTYICSA-N -1 3 376.431 -0.150 20 0 GBADHM COC(=O)CN(C)CCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001636414330 1071082643 /nfs/dbraw/zinc/08/26/43/1071082643.db2.gz XIQRDOWRMIXTLK-UHFFFAOYSA-N -1 3 378.360 -0.292 20 0 GBADHM COC(=O)CN(C)CCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001636414330 1071082635 /nfs/dbraw/zinc/08/26/35/1071082635.db2.gz XIQRDOWRMIXTLK-UHFFFAOYSA-N -1 3 378.360 -0.292 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC001636447628 1071083558 /nfs/dbraw/zinc/08/35/58/1071083558.db2.gz IUQHVAIFHJIGAT-GFCCVEGCSA-N -1 3 396.400 -0.233 20 0 GBADHM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC001636447628 1071083546 /nfs/dbraw/zinc/08/35/46/1071083546.db2.gz IUQHVAIFHJIGAT-GFCCVEGCSA-N -1 3 396.400 -0.233 20 0 GBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC001636447630 1071083472 /nfs/dbraw/zinc/08/34/72/1071083472.db2.gz IUQHVAIFHJIGAT-LBPRGKRZSA-N -1 3 396.400 -0.233 20 0 GBADHM NS(=O)(=O)[C@H]1CCCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC001636447630 1071083458 /nfs/dbraw/zinc/08/34/58/1071083458.db2.gz IUQHVAIFHJIGAT-LBPRGKRZSA-N -1 3 396.400 -0.233 20 0 GBADHM Cn1ccnc1C1(O)CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC001636576263 1071089870 /nfs/dbraw/zinc/08/98/70/1071089870.db2.gz HAIAZRHXDOIBHD-UHFFFAOYSA-N -1 3 384.190 -0.825 20 0 GBADHM COC(=O)[C@@]1(O)CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC001636664046 1071094501 /nfs/dbraw/zinc/09/45/01/1071094501.db2.gz ABLKAGDMTAHUHB-GFCCVEGCSA-N -1 3 382.847 -0.184 20 0 GBADHM COC(=O)[C@]1(O)CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC001636664047 1071093852 /nfs/dbraw/zinc/09/38/52/1071093852.db2.gz ABLKAGDMTAHUHB-LBPRGKRZSA-N -1 3 382.847 -0.184 20 0 GBADHM O=C(CNC(=O)c1ncccc1[O-])N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC001636709793 1071097429 /nfs/dbraw/zinc/09/74/29/1071097429.db2.gz OBCVUMIFOPDFBF-HNNXBMFYSA-N -1 3 391.472 -0.570 20 0 GBADHM O=C(CNC(=O)c1ncccc1[O-])N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC001636709794 1071097119 /nfs/dbraw/zinc/09/71/19/1071097119.db2.gz OBCVUMIFOPDFBF-OAHLLOKOSA-N -1 3 391.472 -0.570 20 0 GBADHM O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC(=O)NCC12COC2 ZINC001636733322 1071097068 /nfs/dbraw/zinc/09/70/68/1071097068.db2.gz WIDFKCOWNCBPMA-UHFFFAOYSA-N -1 3 397.428 -0.003 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)OC)ccc1F ZINC001636798068 1071101278 /nfs/dbraw/zinc/10/12/78/1071101278.db2.gz YTVLMUAVLFEFDI-LLVKDONJSA-N -1 3 387.389 -0.810 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CC(=O)N(C)C[C@H]2C(=O)OC)ccc1F ZINC001636798069 1071101477 /nfs/dbraw/zinc/10/14/77/1071101477.db2.gz YTVLMUAVLFEFDI-NSHDSACASA-N -1 3 387.389 -0.810 20 0 GBADHM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636854359 1071103849 /nfs/dbraw/zinc/10/38/49/1071103849.db2.gz AEHBIKBIBYEKMN-JTQLQIEISA-N -1 3 378.414 -0.307 20 0 GBADHM Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636854368 1071103246 /nfs/dbraw/zinc/10/32/46/1071103246.db2.gz AEHBIKBIBYEKMN-SNVBAGLBSA-N -1 3 378.414 -0.307 20 0 GBADHM CC(C)[C@@H](C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCCS1(=O)=O ZINC001636854378 1071103477 /nfs/dbraw/zinc/10/34/77/1071103477.db2.gz AGTHSNRNGBGPAT-DOMZBBRYSA-N -1 3 383.474 -0.063 20 0 GBADHM CC(C)[C@H](C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCCS1(=O)=O ZINC001636854383 1071103535 /nfs/dbraw/zinc/10/35/35/1071103535.db2.gz AGTHSNRNGBGPAT-IUODEOHRSA-N -1 3 383.474 -0.063 20 0 GBADHM CC(C)[C@H](C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCCS1(=O)=O ZINC001636854384 1071103769 /nfs/dbraw/zinc/10/37/69/1071103769.db2.gz AGTHSNRNGBGPAT-SWLSCSKDSA-N -1 3 383.474 -0.063 20 0 GBADHM CC(C)[C@@H](C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)N1CCCS1(=O)=O ZINC001636854385 1071103275 /nfs/dbraw/zinc/10/32/75/1071103275.db2.gz AGTHSNRNGBGPAT-WFASDCNBSA-N -1 3 383.474 -0.063 20 0 GBADHM CN1CCn2nc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)cc2S1(=O)=O ZINC001636854595 1071103301 /nfs/dbraw/zinc/10/33/01/1071103301.db2.gz DCOGGIOSXCYGRU-JTQLQIEISA-N -1 3 393.429 -0.979 20 0 GBADHM CN1CCn2nc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)cc2S1(=O)=O ZINC001636854596 1071103799 /nfs/dbraw/zinc/10/37/99/1071103799.db2.gz DCOGGIOSXCYGRU-SNVBAGLBSA-N -1 3 393.429 -0.979 20 0 GBADHM O=C(N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(N2CCNC(=O)C2)ccn1 ZINC001636855587 1071103873 /nfs/dbraw/zinc/10/38/73/1071103873.db2.gz PBNFQSUATAUGKW-GFCCVEGCSA-N -1 3 383.412 -0.478 20 0 GBADHM O=C(N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)c1cc(N2CCNC(=O)C2)ccn1 ZINC001636855590 1071103855 /nfs/dbraw/zinc/10/38/55/1071103855.db2.gz PBNFQSUATAUGKW-LBPRGKRZSA-N -1 3 383.412 -0.478 20 0 GBADHM O=C(CNS(=O)(=O)c1ccccc1F)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855868 1071103777 /nfs/dbraw/zinc/10/37/77/1071103777.db2.gz UAOGORSXMPBKFB-LLVKDONJSA-N -1 3 395.416 -0.005 20 0 GBADHM O=C(CNS(=O)(=O)c1ccccc1F)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001636855869 1071103167 /nfs/dbraw/zinc/10/31/67/1071103167.db2.gz UAOGORSXMPBKFB-NSHDSACASA-N -1 3 395.416 -0.005 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC001636871399 1071104762 /nfs/dbraw/zinc/10/47/62/1071104762.db2.gz PIHNNTKMCXBYNU-GFCCVEGCSA-N -1 3 396.400 -0.362 20 0 GBADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC001636871399 1071104760 /nfs/dbraw/zinc/10/47/60/1071104760.db2.gz PIHNNTKMCXBYNU-GFCCVEGCSA-N -1 3 396.400 -0.362 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c([O-])cc2=O)C1 ZINC001636871400 1071104731 /nfs/dbraw/zinc/10/47/31/1071104731.db2.gz PIHNNTKMCXBYNU-LBPRGKRZSA-N -1 3 396.400 -0.362 20 0 GBADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])C1 ZINC001636871400 1071104726 /nfs/dbraw/zinc/10/47/26/1071104726.db2.gz PIHNNTKMCXBYNU-LBPRGKRZSA-N -1 3 396.400 -0.362 20 0 GBADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC(O)(c3ncnn3C)C2)ccc1F ZINC001636906881 1071106120 /nfs/dbraw/zinc/10/61/20/1071106120.db2.gz LDYPDUYRHVVVHG-UHFFFAOYSA-N -1 3 397.432 -0.016 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)ccc1F ZINC001636981302 1071109093 /nfs/dbraw/zinc/10/90/93/1071109093.db2.gz OTMSEODAQLGVJK-UHFFFAOYSA-N -1 3 394.388 -0.263 20 0 GBADHM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)c1 ZINC001637024540 1071110500 /nfs/dbraw/zinc/11/05/00/1071110500.db2.gz FNKOMMOZOWWZBW-QWHCGFSZSA-N -1 3 383.470 -0.076 20 0 GBADHM CC(=O)c1cn(C2CN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)C2)nn1 ZINC001637133320 1071117411 /nfs/dbraw/zinc/11/74/11/1071117411.db2.gz ALJWEBFHYXWCPH-UHFFFAOYSA-N -1 3 397.189 -0.411 20 0 GBADHM COCCN(C)CCN1C[C@H](NC(=O)c2cnc(SC)[n-]c2=O)CC1=O ZINC001637140181 1071117076 /nfs/dbraw/zinc/11/70/76/1071117076.db2.gz YZFLNQQABXRFOW-LLVKDONJSA-N -1 3 383.474 -0.187 20 0 GBADHM COCCN(C)CCN1C[C@@H](NC(=O)c2cnc(SC)[n-]c2=O)CC1=O ZINC001637140182 1071117392 /nfs/dbraw/zinc/11/73/92/1071117392.db2.gz YZFLNQQABXRFOW-NSHDSACASA-N -1 3 383.474 -0.187 20 0 GBADHM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001637151609 1071118297 /nfs/dbraw/zinc/11/82/97/1071118297.db2.gz HYLRZVADCWKMAK-JTQLQIEISA-N -1 3 382.450 -0.919 20 0 GBADHM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001637151609 1071118295 /nfs/dbraw/zinc/11/82/95/1071118295.db2.gz HYLRZVADCWKMAK-JTQLQIEISA-N -1 3 382.450 -0.919 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001637151612 1071118305 /nfs/dbraw/zinc/11/83/05/1071118305.db2.gz HYLRZVADCWKMAK-SNVBAGLBSA-N -1 3 382.450 -0.919 20 0 GBADHM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001637151612 1071118301 /nfs/dbraw/zinc/11/83/01/1071118301.db2.gz HYLRZVADCWKMAK-SNVBAGLBSA-N -1 3 382.450 -0.919 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(O)(c3ncnn3C)CC2)ccc1F ZINC001637174610 1071119300 /nfs/dbraw/zinc/11/93/00/1071119300.db2.gz CPASPVYZVYYOJV-UHFFFAOYSA-N -1 3 397.432 -0.014 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)NCCc2nnc3n2CCN(C)C3=O)c(C)o1 ZINC001637182558 1071120619 /nfs/dbraw/zinc/12/06/19/1071120619.db2.gz IYKVSUCDXLZPEB-UHFFFAOYSA-N -1 3 396.429 -0.854 20 0 GBADHM Cn1cc(S(=O)(=O)NCC(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cn1 ZINC001637219713 1071122422 /nfs/dbraw/zinc/12/24/22/1071122422.db2.gz KMDDMSUKNFYYGU-UHFFFAOYSA-N -1 3 378.414 -0.386 20 0 GBADHM COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001637431990 1071129453 /nfs/dbraw/zinc/12/94/53/1071129453.db2.gz BQUHMOMLOBCQDN-SFYZADRCSA-N -1 3 382.847 -0.185 20 0 GBADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC3(C2)NC(=O)NC3=O)ccc1F ZINC001637436104 1071130397 /nfs/dbraw/zinc/13/03/97/1071130397.db2.gz YAEDFDAQHNZBDI-UHFFFAOYSA-N -1 3 384.389 -0.454 20 0 GBADHM 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COC(=O)c1cccn(CC(=O)N[C@H]2CCN(c3nc(C)cc(=O)[n-]3)C2)c1=O ZINC001651889935 1071530523 /nfs/dbraw/zinc/53/05/23/1071530523.db2.gz GHHCNWIUPKAAFW-LBPRGKRZSA-N -1 3 387.396 -0.166 20 0 GBADHM O=c1[n-]c(=O)n(Cc2nnc3c(=O)[nH]ccn23)cc1I ZINC001651986108 1071532793 /nfs/dbraw/zinc/53/27/93/1071532793.db2.gz GQHQKKLQQTUGRD-UHFFFAOYSA-N -1 3 386.109 -0.667 20 0 GBADHM CNC(=O)C1(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCOCC1 ZINC001652040474 1071534897 /nfs/dbraw/zinc/53/48/97/1071534897.db2.gz QCFQDYYQEXIKIR-UHFFFAOYSA-N -1 3 389.206 -0.877 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)ccc1F ZINC001652285736 1071537245 /nfs/dbraw/zinc/53/72/45/1071537245.db2.gz CJQPOMRYAPEPGS-LLVKDONJSA-N -1 3 394.446 -0.645 20 0 GBADHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)ccc1F ZINC001652285737 1071537282 /nfs/dbraw/zinc/53/72/82/1071537282.db2.gz CJQPOMRYAPEPGS-NSHDSACASA-N -1 3 394.446 -0.645 20 0 GBADHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)CN3C(=O)NC(C)(C)C3=O)CC2)n1 ZINC001652482178 1071539142 /nfs/dbraw/zinc/53/91/42/1071539142.db2.gz SXNTUIVEEHEZEN-UHFFFAOYSA-N -1 3 376.417 -0.094 20 0 GBADHM O=C(CCNS(=O)(=O)c1cccnc1)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312679 1071555290 /nfs/dbraw/zinc/55/52/90/1071555290.db2.gz LOHKRPRKLHLDKY-GFCCVEGCSA-N -1 3 392.441 -0.359 20 0 GBADHM O=C(CCNS(=O)(=O)c1cccnc1)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001653312680 1071555256 /nfs/dbraw/zinc/55/52/56/1071555256.db2.gz LOHKRPRKLHLDKY-LBPRGKRZSA-N -1 3 392.441 -0.359 20 0 GBADHM CS(=O)(=O)N1CCC(CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001653312875 1071555235 /nfs/dbraw/zinc/55/52/35/1071555235.db2.gz OBZRWPYSEQCORB-CYBMUJFWSA-N -1 3 383.474 -0.061 20 0 GBADHM CS(=O)(=O)N1CCC(CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC001653312876 1071555013 /nfs/dbraw/zinc/55/50/13/1071555013.db2.gz OBZRWPYSEQCORB-ZDUSSCGKSA-N -1 3 383.474 -0.061 20 0 GBADHM C[C@H](C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)S(=O)(=O)C1CCOCC1 ZINC001653313086 1071555040 /nfs/dbraw/zinc/55/50/40/1071555040.db2.gz RGHPBMJRQGZTRF-NEPJUHHUSA-N -1 3 384.458 -0.141 20 0 GBADHM C[C@@H](C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)S(=O)(=O)C1CCOCC1 ZINC001653313087 1071555171 /nfs/dbraw/zinc/55/51/71/1071555171.db2.gz RGHPBMJRQGZTRF-NWDGAFQWSA-N -1 3 384.458 -0.141 20 0 GBADHM C[C@@H](C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)S(=O)(=O)C1CCOCC1 ZINC001653313088 1071555384 /nfs/dbraw/zinc/55/53/84/1071555384.db2.gz RGHPBMJRQGZTRF-RYUDHWBXSA-N -1 3 384.458 -0.141 20 0 GBADHM C[C@H](C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1)S(=O)(=O)C1CCOCC1 ZINC001653313089 1071555273 /nfs/dbraw/zinc/55/52/73/1071555273.db2.gz RGHPBMJRQGZTRF-VXGBXAGGSA-N -1 3 384.458 -0.141 20 0 GBADHM NS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001653313118 1071555332 /nfs/dbraw/zinc/55/53/32/1071555332.db2.gz RQMZNZWXEQFGRA-GFCCVEGCSA-N -1 3 377.426 -0.233 20 0 GBADHM NS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001653313122 1071554948 /nfs/dbraw/zinc/55/49/48/1071554948.db2.gz RQMZNZWXEQFGRA-LBPRGKRZSA-N -1 3 377.426 -0.233 20 0 GBADHM CN(CCCNC(=O)CN1CCC(c2n[n-]c(=O)o2)CC1)S(C)(=O)=O ZINC001653588419 1071561981 /nfs/dbraw/zinc/56/19/81/1071561981.db2.gz HXTJLTZBHUGFOB-UHFFFAOYSA-N -1 3 375.451 -0.648 20 0 GBADHM O=S(=O)(Cc1noc(C2CC2)n1)[N-]CCS(=O)(=O)N1CCOCC1 ZINC001653847815 1071567001 /nfs/dbraw/zinc/56/70/01/1071567001.db2.gz WTZOZCMNWWHVNB-UHFFFAOYSA-N -1 3 380.448 -0.972 20 0 GBADHM CCOc1ccc(NC(=O)C[N-]S(=O)(=O)CCS(=O)(=O)N(C)C)cc1 ZINC001653892911 1071567934 /nfs/dbraw/zinc/56/79/34/1071567934.db2.gz RYVLZJFUXAIOEQ-UHFFFAOYSA-N -1 3 393.487 -0.165 20 0 GBADHM COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n[n-]1 ZINC001653959813 1071569918 /nfs/dbraw/zinc/56/99/18/1071569918.db2.gz VWINJPUYKOBPIB-GFCCVEGCSA-N -1 3 387.462 -0.583 20 0 GBADHM COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[n-]n1 ZINC001653959813 1071569916 /nfs/dbraw/zinc/56/99/16/1071569916.db2.gz VWINJPUYKOBPIB-GFCCVEGCSA-N -1 3 387.462 -0.583 20 0 GBADHM COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n[n-]1 ZINC001653959814 1071570051 /nfs/dbraw/zinc/57/00/51/1071570051.db2.gz VWINJPUYKOBPIB-LBPRGKRZSA-N -1 3 387.462 -0.583 20 0 GBADHM COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[n-]n1 ZINC001653959814 1071570046 /nfs/dbraw/zinc/57/00/46/1071570046.db2.gz VWINJPUYKOBPIB-LBPRGKRZSA-N -1 3 387.462 -0.583 20 0 GBADHM CCNS(=O)(=O)CC[N-]S(=O)(=O)c1cnn(C)c1Br ZINC001654031899 1071571217 /nfs/dbraw/zinc/57/12/17/1071571217.db2.gz XWEZWWHTOSZZQH-UHFFFAOYSA-N -1 3 375.270 -0.600 20 0 GBADHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCOc1ccc(S(C)(=O)=O)cc1 ZINC001654049150 1071571949 /nfs/dbraw/zinc/57/19/49/1071571949.db2.gz ARCZFJKJVMKGPD-HSZRJFAPSA-N -1 3 399.516 -0.122 20 0 GBADHM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCOc1ccc(S(C)(=O)=O)cc1 ZINC001654049155 1071571908 /nfs/dbraw/zinc/57/19/08/1071571908.db2.gz ARCZFJKJVMKGPD-QHCPKHFHSA-N -1 3 399.516 -0.122 20 0 GBADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCN1CCNC1=S ZINC001654092294 1071572036 /nfs/dbraw/zinc/57/20/36/1071572036.db2.gz AFLYHTPJNUNVJC-UHFFFAOYSA-N -1 3 376.236 -0.982 20 0 GBADHM Cn1cc(S(=O)(=O)[N-]CCOCCS(C)(=O)=O)c(Br)n1 ZINC001654197136 1071573475 /nfs/dbraw/zinc/57/34/75/1071573475.db2.gz HMCSUBPRHLMQRS-UHFFFAOYSA-N -1 3 390.281 -0.478 20 0 GBADHM Cc1nc(C)c(CCC(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(=O)[n-]1 ZINC001654212742 1071573670 /nfs/dbraw/zinc/57/36/70/1071573670.db2.gz YFYRVCTUVHTHLD-GFCCVEGCSA-N -1 3 384.458 -0.507 20 0 GBADHM Cc1nc(C)c(CCC(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)[n-]1 ZINC001654212743 1071573628 /nfs/dbraw/zinc/57/36/28/1071573628.db2.gz YFYRVCTUVHTHLD-LBPRGKRZSA-N -1 3 384.458 -0.507 20 0 GBADHM O=C(c1ccccc1[O-])N1CCN(S(=O)(=O)CCN2CCOC2=O)CC1 ZINC001654291959 1071575232 /nfs/dbraw/zinc/57/52/32/1071575232.db2.gz AIZCCLWFTVIFKU-UHFFFAOYSA-N -1 3 383.426 -0.068 20 0 GBADHM CS(=O)(=O)N1CCC(NC(=O)CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)CC1 ZINC001654323346 1071575741 /nfs/dbraw/zinc/57/57/41/1071575741.db2.gz OKNUCXIVRZQBKE-LLVKDONJSA-N -1 3 387.462 -0.505 20 0 GBADHM CS(=O)(=O)N1CCC(NC(=O)CN2CCC[C@H](c3n[n-]c(=O)o3)C2)CC1 ZINC001654323347 1071576087 /nfs/dbraw/zinc/57/60/87/1071576087.db2.gz OKNUCXIVRZQBKE-NSHDSACASA-N -1 3 387.462 -0.505 20 0 GBADHM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2=O)n1 ZINC001654328429 1071575840 /nfs/dbraw/zinc/57/58/40/1071575840.db2.gz DJZMIZZSKQCLKA-CHWSQXEVSA-N -1 3 381.458 -0.402 20 0 GBADHM Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)[C@@H]3CC(=O)N(C4CC4)C3)C2=O)n1 ZINC001654328430 1071575897 /nfs/dbraw/zinc/57/58/97/1071575897.db2.gz DJZMIZZSKQCLKA-OLZOCXBDSA-N -1 3 381.458 -0.402 20 0 GBADHM Cn1ccc(N2CCC[C@@H]([N-]S(=O)(=O)[C@H]3CC(=O)N(C4CC4)C3)C2=O)n1 ZINC001654328431 1071576155 /nfs/dbraw/zinc/57/61/55/1071576155.db2.gz DJZMIZZSKQCLKA-QWHCGFSZSA-N -1 3 381.458 -0.402 20 0 GBADHM Cn1ccc(N2CCC[C@H]([N-]S(=O)(=O)[C@H]3CC(=O)N(C4CC4)C3)C2=O)n1 ZINC001654328432 1071576218 /nfs/dbraw/zinc/57/62/18/1071576218.db2.gz DJZMIZZSKQCLKA-STQMWFEESA-N -1 3 381.458 -0.402 20 0 GBADHM CCOC(=O)c1nnc(CNC(=O)Cc2cccc(OCC(=O)NC)c2)[n-]1 ZINC001654490196 1071577607 /nfs/dbraw/zinc/57/76/07/1071577607.db2.gz GZNAGPIQDRJPDF-UHFFFAOYSA-N -1 3 375.385 -0.035 20 0 GBADHM COCCC(=O)N1CCC([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)CC1 ZINC001654580749 1071579320 /nfs/dbraw/zinc/57/93/20/1071579320.db2.gz PEUBCLLSIODVMG-UHFFFAOYSA-N -1 3 388.446 -0.189 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCCC[C@@H]1CS(C)(=O)=O ZINC001654584404 1071579159 /nfs/dbraw/zinc/57/91/59/1071579159.db2.gz PEHJIHNZCWUFDR-GFCCVEGCSA-N -1 3 393.487 -0.005 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCCC[C@H]1CS(C)(=O)=O ZINC001654584407 1071579472 /nfs/dbraw/zinc/57/94/72/1071579472.db2.gz PEHJIHNZCWUFDR-LBPRGKRZSA-N -1 3 393.487 -0.005 20 0 GBADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCN(CC(F)(F)CO)CC1 ZINC001654695033 1071581802 /nfs/dbraw/zinc/58/18/02/1071581802.db2.gz IVWMYYCQQTYBAN-UHFFFAOYSA-N -1 3 396.416 -0.658 20 0 GBADHM COCC[C@@H]([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C(N)=O ZINC001654742922 1071582378 /nfs/dbraw/zinc/58/23/78/1071582378.db2.gz GPCKYJGTAICVCA-MRVPVSSYSA-N -1 3 392.235 -0.340 20 0 GBADHM COCC[C@H]([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C(N)=O ZINC001654742927 1071582746 /nfs/dbraw/zinc/58/27/46/1071582746.db2.gz GPCKYJGTAICVCA-QMMMGPOBSA-N -1 3 392.235 -0.340 20 0 GBADHM COC[C@@H]([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OC ZINC001654744186 1071582453 /nfs/dbraw/zinc/58/24/53/1071582453.db2.gz XJYHWOLJZUEQDO-MRVPVSSYSA-N -1 3 393.219 -0.042 20 0 GBADHM COC[C@H]([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OC ZINC001654744187 1071582387 /nfs/dbraw/zinc/58/23/87/1071582387.db2.gz XJYHWOLJZUEQDO-QMMMGPOBSA-N -1 3 393.219 -0.042 20 0 GBADHM COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC001654776766 1071583452 /nfs/dbraw/zinc/58/34/52/1071583452.db2.gz SDUAQHONUZOZJS-ZYHUDNBSSA-N -1 3 375.403 -0.736 20 0 GBADHM COC(=O)[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)[C@@H]1CCOC1 ZINC001654862558 1071585807 /nfs/dbraw/zinc/58/58/07/1071585807.db2.gz VSEFCJCCBOYEPN-NEPJUHHUSA-N -1 3 389.430 -0.488 20 0 GBADHM COC(=O)[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)[C@H]1CCOC1 ZINC001654862559 1071585936 /nfs/dbraw/zinc/58/59/36/1071585936.db2.gz VSEFCJCCBOYEPN-NWDGAFQWSA-N -1 3 389.430 -0.488 20 0 GBADHM COC(=O)[C@@H](CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)[C@H]1CCOC1 ZINC001654862560 1071586006 /nfs/dbraw/zinc/58/60/06/1071586006.db2.gz VSEFCJCCBOYEPN-RYUDHWBXSA-N -1 3 389.430 -0.488 20 0 GBADHM COC(=O)[C@H](CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C)[C@@H]1CCOC1 ZINC001654862561 1071586167 /nfs/dbraw/zinc/58/61/67/1071586167.db2.gz VSEFCJCCBOYEPN-VXGBXAGGSA-N -1 3 389.430 -0.488 20 0 GBADHM CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC001654958394 1071587567 /nfs/dbraw/zinc/58/75/67/1071587567.db2.gz JECWPBHSHQNETJ-JTQLQIEISA-N -1 3 376.460 -0.848 20 0 GBADHM CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)C1 ZINC001654958395 1071587638 /nfs/dbraw/zinc/58/76/38/1071587638.db2.gz JECWPBHSHQNETJ-SNVBAGLBSA-N -1 3 376.460 -0.848 20 0 GBADHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1cccc(N2CCOCC2)n1 ZINC001655073086 1071589685 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