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QHXYLVQFPAQMAJ-OCCSQVGLSA-N 0 3 313.423 -0.709 20 30 DBEDHN C#CCN1C[C@@H]2CN(C(=O)CS(=O)(=O)N(C)C)C[C@]2(C)C1 ZINC001101449790 827108024 /nfs/dbraw/zinc/10/80/24/827108024.db2.gz LSRFCMCRGISAGN-OCCSQVGLSA-N 0 3 313.423 -0.709 20 30 DBEDHN COCC#CCN1C[C@@H]2CN(C(=O)Cn3cncn3)C[C@]2(C)C1 ZINC001101454518 827108159 /nfs/dbraw/zinc/10/81/59/827108159.db2.gz SYGBUCWBMBWUNW-ZBFHGGJFSA-N 0 3 317.393 -0.292 20 30 DBEDHN C#CCNC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCc1c[nH]cn1 ZINC001275180458 833156660 /nfs/dbraw/zinc/15/66/60/833156660.db2.gz YBKGPLHBTJPACF-NWDGAFQWSA-N 0 3 305.382 -0.426 20 30 DBEDHN COCC#CCN1C[C@@H](CNC(=O)c2ncn(C)n2)[C@H](C)C1 ZINC001101933687 827166439 /nfs/dbraw/zinc/16/64/39/827166439.db2.gz SKRXVFKMGMLWSG-CHWSQXEVSA-N 0 3 305.382 -0.237 20 30 DBEDHN COCC#CCN1C[C@@H](CNC(=O)[C@H]2COC(=O)N2)[C@H](C)C1 ZINC001101927408 827166966 /nfs/dbraw/zinc/16/69/66/827166966.db2.gz DIABFSYISUDEOG-JHJVBQTASA-N 0 3 309.366 -0.571 20 30 DBEDHN C=CCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1CCc2cncn2C1 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/nfs/dbraw/zinc/17/06/96/833170696.db2.gz MKOFUEZQLIDRQM-JTQLQIEISA-N 0 3 316.365 -0.298 20 30 DBEDHN Cc1nnc(CC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NCC#N)o1 ZINC001275394724 833175159 /nfs/dbraw/zinc/17/51/59/833175159.db2.gz QCEFVOALIGTDSL-BDAKNGLRSA-N 0 3 308.342 -0.957 20 30 DBEDHN Cc1nnc(CC(=O)N[C@H](C)[C@H](C)NCC(=O)NCC#N)o1 ZINC001275394725 833175396 /nfs/dbraw/zinc/17/53/96/833175396.db2.gz QCEFVOALIGTDSL-DTWKUNHWSA-N 0 3 308.342 -0.957 20 30 DBEDHN C#CCNC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCc1ccnn1C ZINC001275412686 833176896 /nfs/dbraw/zinc/17/68/96/833176896.db2.gz HYUVJMZLVDLSFR-CHWSQXEVSA-N 0 3 319.409 -0.415 20 30 DBEDHN COc1ncccc1C(=O)N[C@H](C)[C@H](C)NCC(=O)NCC#N ZINC001275482410 833183998 /nfs/dbraw/zinc/18/39/98/833183998.db2.gz RDHVINLLDVJIHM-WDEREUQCSA-N 0 3 319.365 -0.174 20 30 DBEDHN C#CCNC(=O)CN[C@@H](C)[C@H](C)NC(=O)Cc1nc(CC)c[nH]1 ZINC001275422024 833177860 /nfs/dbraw/zinc/17/78/60/833177860.db2.gz ANEDMTQBKYWRFW-RYUDHWBXSA-N 0 3 319.409 -0.253 20 30 DBEDHN 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C#CCNC(=O)[C@H](C)N[C@H](C)CNC(=O)CCc1ccn(C)n1 ZINC001265781223 835171105 /nfs/dbraw/zinc/17/11/05/835171105.db2.gz CZDLRSMBONBXTA-OLZOCXBDSA-N 0 3 319.409 -0.415 20 30 DBEDHN C#CCNC(=O)CNC[C@H]1CN(C(=O)[C@H](F)CC)CCCO1 ZINC001201147592 835171119 /nfs/dbraw/zinc/17/11/19/835171119.db2.gz OLVSEJHLLLXNNC-QWHCGFSZSA-N 0 3 313.373 -0.309 20 30 DBEDHN CC[C@@H](F)C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 ZINC001201146665 835171202 /nfs/dbraw/zinc/17/12/02/835171202.db2.gz HZFFUHSXVJQWKS-NWDGAFQWSA-N 0 3 314.361 -0.419 20 30 DBEDHN C[C@H]1C[C@@H]1C(=O)N1CCCO[C@H](CNCC(=O)NCC#N)C1 ZINC001201154620 835172026 /nfs/dbraw/zinc/17/20/26/835172026.db2.gz HHKIKDUXAUOKQN-XQQFMLRXSA-N 0 3 308.382 -0.511 20 30 DBEDHN C[C@@H]1C[C@H]1C(=O)N1CCCO[C@@H](CNCC(=O)NCC#N)C1 ZINC001201154616 835172205 /nfs/dbraw/zinc/17/22/05/835172205.db2.gz HHKIKDUXAUOKQN-FRRDWIJNSA-N 0 3 308.382 -0.511 20 30 DBEDHN C[C@@H](CNC(=O)c1cnn2c1CCC2)NCC(=O)NCC#N ZINC001265782545 835172372 /nfs/dbraw/zinc/17/23/72/835172372.db2.gz 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/nfs/dbraw/zinc/17/55/46/835175546.db2.gz OTFZQBYWHBZSRZ-VIFPVBQESA-N 0 3 319.365 -0.744 20 30 DBEDHN C#CCNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cc(OC)ccn1 ZINC001265809121 835176197 /nfs/dbraw/zinc/17/61/97/835176197.db2.gz RDYDYKVEAUITHP-RYUDHWBXSA-N 0 3 318.377 -0.064 20 30 DBEDHN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NC[C@@H](C)NCC(=O)NCC#N ZINC001265841412 835182453 /nfs/dbraw/zinc/18/24/53/835182453.db2.gz NSWGDXPBICNLSP-NXEZZACHSA-N 0 3 320.397 -0.136 20 30 DBEDHN C=CCNC(=O)NC(=O)CN[C@H](C)CNC(=O)Cc1ncc[nH]1 ZINC001265843856 835183481 /nfs/dbraw/zinc/18/34/81/835183481.db2.gz OETDIAJCCUJLIJ-SNVBAGLBSA-N 0 3 322.369 -0.942 20 30 DBEDHN C=CCN1CC[C@H](N[C@H](C)CNC(=O)C(C)(C)NC(C)=O)C1=O ZINC001265841543 835183622 /nfs/dbraw/zinc/18/36/22/835183622.db2.gz QPEPEFSJSSJOSB-YPMHNXCESA-N 0 3 324.425 -0.218 20 30 DBEDHN CC#CCN[C@H](C)CNC(=O)Cn1nc2n(c1=O)CCCC2 ZINC001265849124 835184299 /nfs/dbraw/zinc/18/42/99/835184299.db2.gz TVOJNKOOVPNKSV-GFCCVEGCSA-N 0 3 305.382 -0.501 20 30 DBEDHN C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cccn(C)c1=O ZINC001265850634 835184535 /nfs/dbraw/zinc/18/45/35/835184535.db2.gz IHCWRJHOODXYIS-NWDGAFQWSA-N 0 3 318.377 -0.769 20 30 DBEDHN C=CCNC(=O)CN[C@H](C)CNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001265847679 835184776 /nfs/dbraw/zinc/18/47/76/835184776.db2.gz BGOFOHQHAHPVFT-WBMJQRKESA-N 0 3 324.425 -0.359 20 30 DBEDHN C#CCNC[C@@H]1CN(C(=O)[C@H]2CCCCC(=O)N2)CCCO1 ZINC001201388820 835186885 /nfs/dbraw/zinc/18/68/85/835186885.db2.gz HFHPZTKBXRFDRX-ZIAGYGMSSA-N 0 3 307.394 -0.115 20 30 DBEDHN C#CCNC[C@@H]1CN(C(=O)c2ccc(C(N)=O)[nH]2)CCCO1 ZINC001201421149 835190651 /nfs/dbraw/zinc/19/06/51/835190651.db2.gz SNXZJAKKKNWIFK-LLVKDONJSA-N 0 3 304.350 -0.433 20 30 DBEDHN CN1CCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCCNCC#N)C1 ZINC001265879830 835190839 /nfs/dbraw/zinc/19/08/39/835190839.db2.gz WIVKAHRLARKFGX-ZIAGYGMSSA-N 0 3 321.425 -0.451 20 30 DBEDHN C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001265883501 835191896 /nfs/dbraw/zinc/19/18/96/835191896.db2.gz 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/nfs/dbraw/zinc/19/93/65/835199365.db2.gz SKJYGNUVQPLSEU-KGLIPLIRSA-N 0 3 317.393 -0.398 20 30 DBEDHN C#CCNC[C@H]1CN(C(=O)CCCS(C)(=O)=O)CCCO1 ZINC001201630285 835200125 /nfs/dbraw/zinc/20/01/25/835200125.db2.gz VLVAQCCFNDJWDQ-ZDUSSCGKSA-N 0 3 316.423 -0.349 20 30 DBEDHN C#CCNC[C@H]1CN(C(=O)C(C)(C)N2CCOCC2)CCCO1 ZINC001201638780 835200683 /nfs/dbraw/zinc/20/06/83/835200683.db2.gz CTAOJVFJPAWRSE-HNNXBMFYSA-N 0 3 323.437 -0.063 20 30 DBEDHN C#CCNC[C@@H]1CN(C(=O)c2ccc(=O)n(CC)n2)CCCO1 ZINC001201660205 835201489 /nfs/dbraw/zinc/20/14/89/835201489.db2.gz WMOIVSINWCQNIO-CYBMUJFWSA-N 0 3 318.377 -0.283 20 30 DBEDHN N#CCNC(=O)CN[C@H]1CCN(C(=O)c2cc(C3CC3)no2)C1 ZINC001265932781 835202058 /nfs/dbraw/zinc/20/20/58/835202058.db2.gz XCEYRVQDXLFUJU-NSHDSACASA-N 0 3 317.349 -0.004 20 30 DBEDHN COCC#CCNC[C@@H]1CN(C(=O)c2ccncn2)CCCO1 ZINC001201679769 835203209 /nfs/dbraw/zinc/20/32/09/835203209.db2.gz YYGYEYCMPSJBNI-CQSZACIVSA-N 0 3 318.377 -0.053 20 30 DBEDHN COCC#CCN(C)CCCNC(=O)CCN1CCOCC1 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C#CCNC(=O)CN[C@@H]1CCN(C(=O)CC(C)(C)COC)C1 ZINC001184551447 833762946 /nfs/dbraw/zinc/76/29/46/833762946.db2.gz PFQVBBFIHKCSHM-CYBMUJFWSA-N 0 3 309.410 -0.011 20 30 DBEDHN C=CCN1CC[C@@H](NCCNC(=O)Cc2nonc2C)C1=O ZINC001146237775 831271103 /nfs/dbraw/zinc/27/11/03/831271103.db2.gz AFYKHEHPQKOYMY-LLVKDONJSA-N 0 3 307.354 -0.587 20 30 DBEDHN C[C@@H]1CCc2onc(C(=O)NCCNCC(=O)NCC#N)c2C1 ZINC001146326660 831276473 /nfs/dbraw/zinc/27/64/73/831276473.db2.gz NERFSFQPXHVHQD-SNVBAGLBSA-N 0 3 319.365 -0.241 20 30 DBEDHN COc1ccc(CC(=O)NCCNCC(=O)NCC#N)c(F)c1 ZINC001146364328 831277845 /nfs/dbraw/zinc/27/78/45/831277845.db2.gz OHLPJFSEGNGXHC-UHFFFAOYSA-N 0 3 322.340 -0.278 20 30 DBEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cnn2c1CCCC2 ZINC001146776168 831296089 /nfs/dbraw/zinc/29/60/89/831296089.db2.gz CZZIDFWOGODKCM-GFCCVEGCSA-N 0 3 317.393 -0.323 20 30 DBEDHN CN1CCc2cc(C(=O)NCCNCC(=O)NCC#N)ccc21 ZINC001146859143 831301091 /nfs/dbraw/zinc/30/10/91/831301091.db2.gz VBZKPRLUWWYNAG-UHFFFAOYSA-N 0 3 315.377 -0.362 20 30 DBEDHN C#CCNC(=O)CNCCNC(=O)c1cc2c([nH]1)CCCC2 ZINC001146889645 831305419 /nfs/dbraw/zinc/30/54/19/831305419.db2.gz ATAWUVRPZGRRKW-UHFFFAOYSA-N 0 3 302.378 -0.038 20 30 DBEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CCN(C(=O)CC)C1 ZINC001146912572 831308394 /nfs/dbraw/zinc/30/83/94/831308394.db2.gz SCQLHDJTXRQJSG-OLZOCXBDSA-N 0 3 324.425 -0.359 20 30 DBEDHN C=CCNC(=O)CNCCNC(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC001146995703 831320297 /nfs/dbraw/zinc/32/02/97/831320297.db2.gz XKHZNWAUGZUOQH-HNNXBMFYSA-N 0 3 310.398 -0.747 20 30 DBEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001146993521 831320537 /nfs/dbraw/zinc/32/05/37/831320537.db2.gz BRIBJJQYPMKMTL-NWDGAFQWSA-N 0 3 319.409 -0.089 20 30 DBEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001146993521 831320542 /nfs/dbraw/zinc/32/05/42/831320542.db2.gz BRIBJJQYPMKMTL-NWDGAFQWSA-N 0 3 319.409 -0.089 20 30 DBEDHN C#CCNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]2)C1 ZINC001185415628 833794244 /nfs/dbraw/zinc/79/42/44/833794244.db2.gz BOEUYELRKGGTOO-GHMZBOCLSA-N 0 3 319.365 -0.932 20 30 DBEDHN COCC#CCNCCNC(=O)c1cnn(CCCOC)c1 ZINC001147056081 831332828 /nfs/dbraw/zinc/33/28/28/831332828.db2.gz LCSNNTBUTMSUIQ-UHFFFAOYSA-N 0 3 308.382 -0.111 20 30 DBEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)CCOCCCOC ZINC001147075581 831334885 /nfs/dbraw/zinc/33/48/85/831334885.db2.gz MWYBDRNSVQLIFT-CYBMUJFWSA-N 0 3 313.398 -0.727 20 30 DBEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)CCOCCCOC ZINC001147074903 831335451 /nfs/dbraw/zinc/33/54/51/831335451.db2.gz CYDUNMDXRWMPQE-ZDUSSCGKSA-N 0 3 315.414 -0.174 20 30 DBEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)C[C@@H](C)n1cccn1 ZINC001147097053 831338847 /nfs/dbraw/zinc/33/88/47/831338847.db2.gz QOBMVGBOPUNTEA-CHWSQXEVSA-N 0 3 305.382 -0.322 20 30 DBEDHN C#CCNC(=O)CNCCNC(=O)CCCn1nc(C)nc1C ZINC001147282928 831358844 /nfs/dbraw/zinc/35/88/44/831358844.db2.gz GHPSBXRBIPJKLU-UHFFFAOYSA-N 0 3 320.397 -0.870 20 30 DBEDHN Cc1c(C(=O)NCCNCC(=O)NCC#N)cnn1C(C)C ZINC001147301335 831361009 /nfs/dbraw/zinc/36/10/09/831361009.db2.gz UIZFNRILNLHTJG-UHFFFAOYSA-N 0 3 306.370 -0.268 20 30 DBEDHN C#CCNC(=O)CNCCNC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001147377979 831366988 /nfs/dbraw/zinc/36/69/88/831366988.db2.gz UWCUZRKSYVNSLR-GFCCVEGCSA-N 0 3 324.425 -0.618 20 30 DBEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)Cc1cnn(CC)c1 ZINC001147402458 831368176 /nfs/dbraw/zinc/36/81/76/831368176.db2.gz QCFYVBUKRLTMKL-GFCCVEGCSA-N 0 3 305.382 -0.711 20 30 DBEDHN C=C[C@](C)(O)CC(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001147422524 831370023 /nfs/dbraw/zinc/37/00/23/831370023.db2.gz POHKVTZFNKIQQP-HNNXBMFYSA-N 0 3 312.410 -0.143 20 30 DBEDHN C=CCNC(=O)CNCCNC(=O)[C@](C)(NC(C)=O)C1CC1 ZINC001147466371 831374988 /nfs/dbraw/zinc/37/49/88/831374988.db2.gz JZZHRDFUKWAMGS-OAHLLOKOSA-N 0 3 310.398 -0.701 20 30 DBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1conc1COC ZINC001147556814 831381705 /nfs/dbraw/zinc/38/17/05/831381705.db2.gz JUEXOUKBJKVRJV-JTQLQIEISA-N 0 3 308.338 -0.722 20 30 DBEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)c1c2c(nn1C)CCC2 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C#CCNC(=O)CNCCNC(=O)c1cccnc1OCC#C ZINC001148302516 831442875 /nfs/dbraw/zinc/44/28/75/831442875.db2.gz PMPCKVDZGSYDAU-UHFFFAOYSA-N 0 3 314.345 -0.838 20 30 DBEDHN C#CCOc1ncccc1C(=O)NCCN[C@@H]1CCN(C)C1=O ZINC001148309916 831444149 /nfs/dbraw/zinc/44/41/49/831444149.db2.gz XPAMCUVCJNXQTA-CYBMUJFWSA-N 0 3 316.361 -0.356 20 30 DBEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)c1cccn(C)c1=O ZINC001148309204 831444343 /nfs/dbraw/zinc/44/43/43/831444343.db2.gz JOEVNOPTMRHXSV-LLVKDONJSA-N 0 3 306.366 -0.605 20 30 DBEDHN C#Cc1ccc(C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC)nc1 ZINC001148377457 831448975 /nfs/dbraw/zinc/44/89/75/831448975.db2.gz XIBWIXMYNVLWJA-JTQLQIEISA-N 0 3 317.349 -0.774 20 30 DBEDHN C#Cc1ccc(C(=O)NCCNCCNS(=O)(=O)CC)nc1 ZINC001148376364 831449183 /nfs/dbraw/zinc/44/91/83/831449183.db2.gz HZMJGLVMKMSUCK-UHFFFAOYSA-N 0 3 324.406 -0.678 20 30 DBEDHN C#Cc1ccc(C(=O)NCCNCCN(C)S(C)(=O)=O)nc1 ZINC001148370372 831449205 /nfs/dbraw/zinc/44/92/05/831449205.db2.gz UXFKUIMXRCNBJX-UHFFFAOYSA-N 0 3 324.406 -0.726 20 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CCN(CCC#N)C(=O)CN[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC001228321150 979673478 /nfs/dbraw/zinc/67/34/78/979673478.db2.gz ZHZYZMFKYWLQPP-VXGBXAGGSA-N 0 3 323.397 -0.749 20 30 DBEDHN C=C(C)CN1CCN(CCCNC(=O)[C@H]2CCNC2=O)CC1 ZINC001316959107 979693731 /nfs/dbraw/zinc/69/37/31/979693731.db2.gz CMAGZYGJVWEAJO-CQSZACIVSA-N 0 3 308.426 -0.178 20 30 DBEDHN C=CCN1CC[C@@](O)(CNC(=O)c2ccc3nnnn3c2)C1 ZINC001325109785 979702973 /nfs/dbraw/zinc/70/29/73/979702973.db2.gz HQCHSFYAPCJWKR-CQSZACIVSA-N 0 3 302.338 -0.523 20 30 DBEDHN COCC#CCN1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(=O)OC)C[C@@H]2C1 ZINC001325720083 979714312 /nfs/dbraw/zinc/71/43/12/979714312.db2.gz HGGGAUHTKLXOHZ-LXTVHRRPSA-N 0 3 320.389 -0.165 20 30 DBEDHN C#CCNC(=O)[C@H](C)NCCN(CCO)C(=O)[C@@H]1CC12CCC2 ZINC001326104315 979729288 /nfs/dbraw/zinc/72/92/88/979729288.db2.gz SGENNMHGSDAYSO-KBPBESRZSA-N 0 3 321.421 -0.275 20 30 DBEDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001326107756 979729879 /nfs/dbraw/zinc/72/98/79/979729879.db2.gz 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/nfs/dbraw/zinc/78/48/77/979784877.db2.gz GFISGLUCPBQYCJ-OCCSQVGLSA-N 0 3 307.394 -0.307 20 30 DBEDHN C#CCNC(=O)CNC[C@H]1CN(C(=O)C2=CCCC2)CCO1 ZINC001326969534 979785700 /nfs/dbraw/zinc/78/57/00/979785700.db2.gz ZHTJUFYRVIQMOU-AWEZNQCLSA-N 0 3 305.378 -0.337 20 30 DBEDHN C#CCN1CCC[C@H](NC(=O)CCS(=O)(=O)NC)CC1 ZINC001327126706 979793781 /nfs/dbraw/zinc/79/37/81/979793781.db2.gz RDLMVKHTZBYJKD-LBPRGKRZSA-N 0 3 301.412 -0.470 20 30 DBEDHN C#CCN(C)CCCN(C)C(=O)[C@H](CCC)S(N)(=O)=O ZINC001327239971 979800517 /nfs/dbraw/zinc/80/05/17/979800517.db2.gz UUPMJZQUDOADTO-LBPRGKRZSA-N 0 3 303.428 -0.143 20 30 DBEDHN C[C@@H](CN(C)C(=O)c1cncc(F)c1)NCC(=O)NCC#N ZINC001331421645 979877661 /nfs/dbraw/zinc/87/76/61/979877661.db2.gz LCCSWQXNRSSPPV-JTQLQIEISA-N 0 3 307.329 -0.089 20 30 DBEDHN CCOc1cc(C(=O)N(C)C[C@H](C)NCC(=O)NCC#N)[nH]n1 ZINC001331490902 979883119 /nfs/dbraw/zinc/88/31/19/979883119.db2.gz RGDXEPNSUWAJMP-JTQLQIEISA-N 0 3 322.369 -0.502 20 30 DBEDHN C=CCNC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)c1n[nH]nc1C ZINC001331516407 979884245 /nfs/dbraw/zinc/88/42/45/979884245.db2.gz AAUUVMGTFJWTQM-KOLCDFICSA-N 0 3 308.386 -0.146 20 30 DBEDHN C[C@@H](CN(C)C(=O)c1csc(=O)[nH]1)NCC(=O)NCC#N ZINC001331531141 979886096 /nfs/dbraw/zinc/88/60/96/979886096.db2.gz PTUHEYHSJXDGEI-QMMMGPOBSA-N 0 3 311.367 -0.461 20 30 DBEDHN C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC001345275947 980043737 /nfs/dbraw/zinc/04/37/37/980043737.db2.gz WNHOAYDLEPTCJZ-ZIAGYGMSSA-N 0 3 307.394 -0.162 20 30 DBEDHN C#C[C@@H]1COCCN1C(=O)C(=O)NC[C@@H]1CCCCN1CC ZINC001345287404 980044681 /nfs/dbraw/zinc/04/46/81/980044681.db2.gz GFLAVOMLLOVGJA-KGLIPLIRSA-N 0 3 307.394 -0.162 20 30 DBEDHN C[C@@]1(C#N)CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCO1 ZINC001345488332 980059432 /nfs/dbraw/zinc/05/94/32/980059432.db2.gz RBIFXNLTJHLPPZ-CZUORRHYSA-N 0 3 320.393 -0.176 20 30 DBEDHN N#C[C@]1(F)CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001345571033 980063301 /nfs/dbraw/zinc/06/33/01/980063301.db2.gz MFRUXWZFMODXPV-SLEUVZQESA-N 0 3 324.356 -0.570 20 30 DBEDHN CCN(CC)CC(=O)N[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1O ZINC001345777849 980084602 /nfs/dbraw/zinc/08/46/02/980084602.db2.gz NTMRTUGXNLGWJZ-LSDHHAIUSA-N 0 3 321.421 -0.180 20 30 DBEDHN CO[C@H](C)CCC(=O)C(C#N)C(=O)N1CCS(=O)(=O)CC1 ZINC001346065238 980111104 /nfs/dbraw/zinc/11/11/04/980111104.db2.gz POSSWQFUYJGTTK-MNOVXSKESA-N 0 3 316.379 -0.233 20 30 DBEDHN C#C[C@@H]1COCCN1C(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC001346577646 980156184 /nfs/dbraw/zinc/15/61/84/980156184.db2.gz RCMCCPUAMLTPCB-RBSFLKMASA-N 0 3 319.405 -0.020 20 30 DBEDHN C#CCN1CCC(C(=O)NCCNC(=O)[C@@H](C)NC(C)=O)CC1 ZINC001348405132 980300487 /nfs/dbraw/zinc/30/04/87/980300487.db2.gz ROTGNWHZIOMDNN-GFCCVEGCSA-N 0 3 322.409 -0.911 20 30 DBEDHN C#CC1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001349213601 980434598 /nfs/dbraw/zinc/43/45/98/980434598.db2.gz WTUDEDXIFFLWTD-CABCVRRESA-N 0 3 319.405 -0.162 20 30 DBEDHN C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]21 ZINC001354094098 980833100 /nfs/dbraw/zinc/83/31/00/980833100.db2.gz IVXZSLACLRDVFQ-MRLBHPIUSA-N 0 3 321.421 -0.062 20 30 DBEDHN C#CCN1CCC(C(=O)N[C@@H](C)CNC(=O)c2ncc[nH]2)CC1 ZINC001354368680 980846737 /nfs/dbraw/zinc/84/67/37/980846737.db2.gz KRTPDQUGCGFLJN-LBPRGKRZSA-N 0 3 317.393 -0.011 20 30 DBEDHN C=CCn1cc(C(=O)NCCN(C)C(=O)[C@@H](CC)N(C)C)nn1 ZINC001355612785 980903055 /nfs/dbraw/zinc/90/30/55/980903055.db2.gz YKIBNRDRNFXFAO-CYBMUJFWSA-N 0 3 322.413 -0.008 20 30 DBEDHN CCOCCCNC(=O)C(C#N)C(=O)CCc1cn(C)nn1 ZINC001356119131 980925154 /nfs/dbraw/zinc/92/51/54/980925154.db2.gz OHTMJKFXISKVPP-GFCCVEGCSA-N 0 3 307.354 -0.001 20 30 DBEDHN C=CCN(CCO)[C@@H]1CCCN(C(=O)CN2CCCNC2=O)C1 ZINC001489163741 1014696257 /nfs/dbraw/zinc/69/62/57/1014696257.db2.gz YIDHEDYNAJMHQT-CQSZACIVSA-N 0 3 324.425 -0.127 20 30 DBEDHN C=CCN(C(=O)[C@H]1CNCCN1C)[C@@H]1CCS(=O)(=O)C1 ZINC001357203600 981041176 /nfs/dbraw/zinc/04/11/76/981041176.db2.gz BZYYHQOSQZRVAQ-VXGBXAGGSA-N 0 3 301.412 -0.908 20 30 DBEDHN CNC(=O)NC(=O)CN[C@H]1CCCCCN(C(=O)[C@@H](C)C#N)C1 ZINC001489224663 1014711033 /nfs/dbraw/zinc/71/10/33/1014711033.db2.gz JFCZYMBEJJJKKL-RYUDHWBXSA-N 0 3 323.397 -0.038 20 30 DBEDHN C#CCO[C@@H](C)C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC001358730840 981179035 /nfs/dbraw/zinc/17/90/35/981179035.db2.gz SOBNNXWQUBXDPM-ZDUSSCGKSA-N 0 3 307.394 -0.210 20 30 DBEDHN C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](CC)N(C)C)C1 ZINC001530553489 1014735204 /nfs/dbraw/zinc/73/52/04/1014735204.db2.gz TZTDKYYBMZIXAW-CABCVRRESA-N 0 3 320.437 -0.249 20 30 DBEDHN C#CCNC(=O)CN1CC[C@H](NC(=O)CN(C)CCC)[C@H]1C ZINC001489304990 1014746535 /nfs/dbraw/zinc/74/65/35/1014746535.db2.gz INZOMOCIYDUDNP-KGLIPLIRSA-N 0 3 308.426 -0.343 20 30 DBEDHN C[C@@H](C#N)C(=O)N[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1O ZINC001489620758 1014827383 /nfs/dbraw/zinc/82/73/83/1014827383.db2.gz XPSMDWQQCTVXMP-UHTWSYAYSA-N 0 3 308.382 -0.682 20 30 DBEDHN CC[C@@H](C(=O)N[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1O)N(C)C ZINC001489628478 1014828355 /nfs/dbraw/zinc/82/83/55/1014828355.db2.gz GOPJADNCRSHIAK-RDBSUJKOSA-N 0 3 307.394 -0.572 20 30 DBEDHN CN(C)C1(C(=O)NCCCN(C)CC(=O)NCC#N)CCC1 ZINC001490205895 1014892259 /nfs/dbraw/zinc/89/22/59/1014892259.db2.gz PTUQOFJOMCLKMW-UHFFFAOYSA-N 0 3 309.414 -0.451 20 30 DBEDHN CN(CCC#N)C(=O)CCN1CCCC[C@H]1CS(N)(=O)=O ZINC001364486433 983019044 /nfs/dbraw/zinc/01/90/44/983019044.db2.gz VINDJICWOAVSHM-LBPRGKRZSA-N 0 3 316.427 -0.108 20 30 DBEDHN C#CCNC(=O)[C@@H](C)N(CC)CCCNC(=O)c1cn(C)nn1 ZINC001490323438 1014924912 /nfs/dbraw/zinc/92/49/12/1014924912.db2.gz QEHIBGFGSNNYSP-GFCCVEGCSA-N 0 3 320.397 -0.605 20 30 DBEDHN C#CCNC(=O)[C@@H](C)N(CC)CCCNC(=O)c1ccn[nH]1 ZINC001490319524 1014926126 /nfs/dbraw/zinc/92/61/26/1014926126.db2.gz VIWCHDIZCAJYNI-GFCCVEGCSA-N 0 3 305.382 -0.011 20 30 DBEDHN N#CCNC(=O)CN(CCCNC(=O)c1nnc[nH]1)C1CC1 ZINC001490389374 1014949618 /nfs/dbraw/zinc/94/96/18/1014949618.db2.gz FUCCEPCVIIRGGL-UHFFFAOYSA-N 0 3 305.342 -0.971 20 30 DBEDHN C#CCNC(=O)CN1CCC(N(C)C(=O)[C@@H](CC)N(C)C)CC1 ZINC001490411213 1014954319 /nfs/dbraw/zinc/95/43/19/1014954319.db2.gz PZBJRXGGTWTBQO-OAHLLOKOSA-N 0 3 322.453 -0.001 20 30 DBEDHN CN(CC(=O)N[C@H]1CCCN(CC(=O)NCC#N)C1)C1CCC1 ZINC001490440358 1014966358 /nfs/dbraw/zinc/96/63/58/1014966358.db2.gz HKSYNIOIKUKKMG-ZDUSSCGKSA-N 0 3 321.425 -0.309 20 30 DBEDHN N#Cc1cc(C(=O)NC[C@@H](N[C@@H]2CCNC2=O)C2CC2)c[nH]1 ZINC001366036476 983664458 /nfs/dbraw/zinc/66/44/58/983664458.db2.gz MDWJLORRKMZRHX-CHWSQXEVSA-N 0 3 301.350 -0.127 20 30 DBEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)CCn2ncn(C)c2=O)C1 ZINC001366120231 983705378 /nfs/dbraw/zinc/70/53/78/983705378.db2.gz JGMKDYSNVRGXGR-XYPYZODXSA-N 0 3 313.789 -0.039 20 30 DBEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001490451825 1014970633 /nfs/dbraw/zinc/97/06/33/1014970633.db2.gz BYXPCBAKMINRLY-VXGBXAGGSA-N 0 3 301.412 -0.472 20 30 DBEDHN N#Cc1c[nH]c(C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)c1 ZINC001366382374 983818373 /nfs/dbraw/zinc/81/83/73/983818373.db2.gz UCUJNUSITBTPJT-LBPRGKRZSA-N 0 3 301.350 -0.031 20 30 DBEDHN C#CCCN1CCN(CCCNC(=O)[C@H]2CCC(=O)NC2)CC1 ZINC001490470199 1014982444 /nfs/dbraw/zinc/98/24/44/1014982444.db2.gz PKXBBHOHGRXBTR-HNNXBMFYSA-N 0 3 320.437 -0.340 20 30 DBEDHN C#CCN1CCN(CCCNC(=O)Cn2ccnc2C)CC1 ZINC001490477080 1014989295 /nfs/dbraw/zinc/98/92/95/1014989295.db2.gz RARHXCWODPRBRO-UHFFFAOYSA-N 0 3 303.410 -0.051 20 30 DBEDHN Cn1cc(C(=O)NC[C@H](O)CNCc2ccc(C#N)s2)nn1 ZINC001367581125 984379780 /nfs/dbraw/zinc/37/97/80/984379780.db2.gz IDHYQEXGOUBVBE-SECBINFHSA-N 0 3 320.378 -0.371 20 30 DBEDHN C[C@@H](C#N)C(=O)NC[C@H](O)CNCC(=O)N(C)Cc1ccco1 ZINC001367582393 984382571 /nfs/dbraw/zinc/38/25/71/984382571.db2.gz OUHCPSAZOFXJOU-NWDGAFQWSA-N 0 3 322.365 -0.536 20 30 DBEDHN C#CCNC(=O)CN[C@@H](CNC(=O)c1cnc(C)[nH]1)C1CC1 ZINC001490643620 1015063276 /nfs/dbraw/zinc/06/32/76/1015063276.db2.gz AJTVREUDOPDFSV-LBPRGKRZSA-N 0 3 303.366 -0.434 20 30 DBEDHN 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