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C#CCN1CCN(C(=O)Cn2c(=O)c(-c3nnn[n-]3)c(C)n(C3CC3)c2=O)CC1 ZINC001588353307 1076060252 /nfs/dbraw/zinc/06/02/52/1076060252.db2.gz NFAJIDCGGAWJAI-UHFFFAOYSA-N -1 0 398.427 -1.389 20 30 GAEDRM C#CCN1CCN(C(=O)Cn2c(=O)c(-c3nnn[n-]3)cn(CCO)c2=O)CC1 ZINC001588353327 1076060221 /nfs/dbraw/zinc/06/02/21/1076060221.db2.gz OCJLMHZLGVFTEI-UHFFFAOYSA-N -1 0 388.388 -3.040 20 30 GAEDRM C#CCNS(=O)(=O)N1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC001588353677 1076060704 /nfs/dbraw/zinc/06/07/04/1076060704.db2.gz AOYSXZJICDFNPG-UHFFFAOYSA-N -1 0 380.394 -2.930 20 30 GAEDRM C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001588353865 1076060776 /nfs/dbraw/zinc/06/07/76/1076060776.db2.gz ABODXHLKGNFULO-GFCCVEGCSA-N -1 0 386.420 -1.697 20 30 GAEDRM C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)n2cnc(-c3nnn[n-]3)n2)CC1 ZINC001588353868 1076060667 /nfs/dbraw/zinc/06/06/67/1076060667.db2.gz ABODXHLKGNFULO-LBPRGKRZSA-N -1 0 386.420 -1.697 20 30 GAEDRM C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)o2)CC1 ZINC001588354190 1076061184 /nfs/dbraw/zinc/06/11/84/1076061184.db2.gz HMJBODNCXAYZLC-UHFFFAOYSA-N -1 0 393.429 -1.095 20 30 GAEDRM C#CCNC(=O)CN1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[n-]n2)CC1 ZINC001588354320 1076061458 /nfs/dbraw/zinc/06/14/58/1076061458.db2.gz KUNFECWHSPBLIR-UHFFFAOYSA-N -1 0 387.404 -2.485 20 30 GAEDRM C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)c([O-])c2)CC1 ZINC001588354460 1076061594 /nfs/dbraw/zinc/06/15/94/1076061594.db2.gz YXIVBXJSUKIRKP-UHFFFAOYSA-N -1 0 391.413 -1.202 20 30 GAEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2cccnc2-c2nnn[n-]2)CC1 ZINC001588354469 1076061581 /nfs/dbraw/zinc/06/15/81/1076061581.db2.gz NKTXBSXXTBGLEB-UHFFFAOYSA-N -1 0 390.429 -1.683 20 30 GAEDRM C#CCNC(=O)CN1CCN(C(=O)c2[nH]c(=O)c(-c3nnn[n-]3)cc2C)CC1 ZINC001588354700 1076062051 /nfs/dbraw/zinc/06/20/51/1076062051.db2.gz WNTDIGUGCZYFFH-UHFFFAOYSA-N -1 0 384.400 -1.217 20 30 GAEDRM C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001588354769 1076061865 /nfs/dbraw/zinc/06/18/65/1076061865.db2.gz YYSSABUPFLNRIU-UHFFFAOYSA-N -1 0 395.470 -1.016 20 30 GAEDRM C#CCO[C@H](C)C(=O)N1CCC(O)(CNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001588357503 1076062427 /nfs/dbraw/zinc/06/24/27/1076062427.db2.gz KKYUKJAZZAXNGL-GFCCVEGCSA-N -1 0 386.416 -1.118 20 30 GAEDRM C#CCO[C@@H](C)C(=O)N1CCC(O)(CNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001588357504 1076062526 /nfs/dbraw/zinc/06/25/26/1076062526.db2.gz KKYUKJAZZAXNGL-LBPRGKRZSA-N -1 0 386.416 -1.118 20 30 GAEDRM C#CCOCCC(=O)N1CCC(O)(CNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001588359846 1076062490 /nfs/dbraw/zinc/06/24/90/1076062490.db2.gz YYHOKNYJKTWCPJ-UHFFFAOYSA-N -1 0 386.416 -1.116 20 30 GAEDRM C#CC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001588405515 983421843 /nfs/dbraw/zinc/42/18/43/983421843.db2.gz QMVKQOFKYCUOKF-GFCCVEGCSA-N -1 0 388.423 -1.039 20 30 GAEDRM C#CC[C@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C(=O)[O-] ZINC001588405516 983421688 /nfs/dbraw/zinc/42/16/88/983421688.db2.gz QMVKQOFKYCUOKF-LBPRGKRZSA-N -1 0 388.423 -1.039 20 30 GAEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001588406227 1076062756 /nfs/dbraw/zinc/06/27/56/1076062756.db2.gz RYNSVCINKWWJPU-LLVKDONJSA-N -1 0 376.377 -1.284 20 30 GAEDRM C=C(C)C[C@H](NC(C)=O)C(=O)NCCn1cc(-c2nnn[n-]2)c(=O)[nH]c1=O ZINC001588406230 1076062736 /nfs/dbraw/zinc/06/27/36/1076062736.db2.gz RYNSVCINKWWJPU-NSHDSACASA-N -1 0 376.377 -1.284 20 30 GAEDRM C=C(C)CN(CC)C(=O)Cn1c(=O)c(-c2nnn[n-]2)c(C)n(CCO)c1=O ZINC001588425915 1076062969 /nfs/dbraw/zinc/06/29/69/1076062969.db2.gz AOWWATLPPCXAHS-UHFFFAOYSA-N -1 0 377.405 -1.085 20 30 GAEDRM C#CCNC(=O)CN1CCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1 ZINC001588429843 958250684 /nfs/dbraw/zinc/25/06/84/958250684.db2.gz FDLBIENBFXOZDB-UHFFFAOYSA-N -1 0 385.442 -1.840 20 30 GAEDRM C#CCNC(=O)CN1CCCN(C(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)CC1 ZINC001588431139 958264677 /nfs/dbraw/zinc/26/46/77/958264677.db2.gz SMDHYVXSXXHPEX-UHFFFAOYSA-N -1 0 399.469 -1.450 20 30 GAEDRM C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC001588431467 958271738 /nfs/dbraw/zinc/27/17/38/958271738.db2.gz PTZXREMBBSLKEC-UHFFFAOYSA-N -1 0 388.446 -1.337 20 30 GAEDRM C#CCN1CCN(C(=O)CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])CC1 ZINC001588477717 983517225 /nfs/dbraw/zinc/51/72/25/983517225.db2.gz ZDJPJXZXVXKAHJ-STQMWFEESA-N -1 0 377.401 -2.157 20 30 GAEDRM C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])CC1 ZINC001588485241 983524597 /nfs/dbraw/zinc/52/45/97/983524597.db2.gz JQIDLIADDAILQD-QWRGUYRKSA-N -1 0 389.434 -2.241 20 30 GAEDRM C#CCNS(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)CC1 ZINC001588485455 983525366 /nfs/dbraw/zinc/52/53/66/983525366.db2.gz PPMIVBWSOPDLSR-GFCCVEGCSA-N -1 0 386.430 -2.079 20 30 GAEDRM C#CCNS(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](C(=O)[O-])C2=O)CC1 ZINC001588485456 983525161 /nfs/dbraw/zinc/52/51/61/983525161.db2.gz PPMIVBWSOPDLSR-LBPRGKRZSA-N -1 0 386.430 -2.079 20 30 GAEDRM C#CCNS(=O)(=O)N1CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001588485912 983526150 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20 30 GAEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001593330643 994895610 /nfs/dbraw/zinc/89/56/10/994895610.db2.gz NDJXKUGDWILEGE-MFKMUULPSA-N -1 0 394.409 -1.021 20 30 GAEDRM C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001593330644 994895916 /nfs/dbraw/zinc/89/59/16/994895916.db2.gz NDJXKUGDWILEGE-ZWNOBZJWSA-N -1 0 394.409 -1.021 20 30 GAEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001593339366 994934376 /nfs/dbraw/zinc/93/43/76/994934376.db2.gz NDVIHRGAZDPVOV-GWCFXTLKSA-N -1 0 394.409 -1.021 20 30 GAEDRM C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)[O-] ZINC001593339368 994934101 /nfs/dbraw/zinc/93/41/01/994934101.db2.gz NDVIHRGAZDPVOV-GXFFZTMASA-N -1 0 394.409 -1.021 20 30 GAEDRM C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(C)C[C@H]1C(=O)[O-] ZINC001593339370 994934267 /nfs/dbraw/zinc/93/42/67/994934267.db2.gz NDVIHRGAZDPVOV-MFKMUULPSA-N -1 0 394.409 -1.021 20 30 GAEDRM 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