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C=C[C@@H](C)NC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000823485550 587225591 /nfs/dbraw/zinc/22/55/91/587225591.db2.gz HROUSBSVLIAZIH-HTQZYQBOSA-N -1 0 214.265 0.923 20 30 BCEDRM C=C[C@H](C)NC(=O)NCCN(CC)C(=O)[O-] ZINC000823491522 587225915 /nfs/dbraw/zinc/22/59/15/587225915.db2.gz WMJBCIUGPUTFPU-QMMMGPOBSA-N -1 0 229.280 0.860 20 30 BCEDRM C=C[C@@H](C)NC(=O)NCCNC(=O)[O-] ZINC000823490365 587225930 /nfs/dbraw/zinc/22/59/30/587225930.db2.gz AFKUAYXBFIAIAT-ZCFIWIBFSA-N -1 0 201.226 0.128 20 30 BCEDRM C=C[C@@H](C)NC(=O)NCCCNC(=O)[O-] ZINC000823490506 587225975 /nfs/dbraw/zinc/22/59/75/587225975.db2.gz DYJGHZXXWXDAOQ-SSDOTTSWSA-N -1 0 215.253 0.518 20 30 BCEDRM C=C[C@H](C)NC(=O)NCCCN(C)C(=O)[O-] ZINC000823490509 587226018 /nfs/dbraw/zinc/22/60/18/587226018.db2.gz DYSSVEHKQSPZON-QMMMGPOBSA-N -1 0 229.280 0.860 20 30 BCEDRM C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[O-] ZINC000823490406 587226046 /nfs/dbraw/zinc/22/60/46/587226046.db2.gz BJJUQWIZIKQHRF-YIZRAAEISA-N -1 0 242.275 0.180 20 30 BCEDRM C=C[C@@H](C)NC(=O)NCCCN(C)C(=O)[O-] ZINC000823490508 587226195 /nfs/dbraw/zinc/22/61/95/587226195.db2.gz DYSSVEHKQSPZON-MRVPVSSYSA-N -1 0 229.280 0.860 20 30 BCEDRM C=C[C@@H](C)NC(=O)N1CCN(C(=O)[O-])CC1 ZINC000823491626 587226611 /nfs/dbraw/zinc/22/66/11/587226611.db2.gz ZBOIKZZCCXUINE-MRVPVSSYSA-N -1 0 227.264 0.566 20 30 BCEDRM C=CC[C@@H](C)NC(=O)C1(NC(=O)[O-])CC1 ZINC000823490851 587226622 /nfs/dbraw/zinc/22/66/22/587226622.db2.gz MITMMEVMVKGIFO-SSDOTTSWSA-N -1 0 212.249 0.867 20 30 BCEDRM C=CC[C@H](C)NC(=O)NC1CN(C(=O)[O-])C1 ZINC000823491244 587226686 /nfs/dbraw/zinc/22/66/86/587226686.db2.gz TUQOXSQZKCXQRZ-ZETCQYMHSA-N -1 0 227.264 0.612 20 30 BCEDRM C=CC[C@H](C)NC(=O)C1(NC(=O)[O-])CC1 ZINC000823490852 587226734 /nfs/dbraw/zinc/22/67/34/587226734.db2.gz MITMMEVMVKGIFO-ZETCQYMHSA-N -1 0 212.249 0.867 20 30 BCEDRM C=CCCO[C@H](C)C(=O)OC1CN(C(=O)[O-])C1 ZINC000823496119 587226970 /nfs/dbraw/zinc/22/69/70/587226970.db2.gz CYYLJEBTZNLWOW-MRVPVSSYSA-N -1 0 243.259 0.873 20 30 BCEDRM C=CCCCN(C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000823495995 587227033 /nfs/dbraw/zinc/22/70/33/587227033.db2.gz BWKDKTFIGUMXOL-UHFFFAOYSA-N -1 0 241.291 0.956 20 30 BCEDRM C=CCCCOC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000823495957 587227152 /nfs/dbraw/zinc/22/71/52/587227152.db2.gz BECWTSMTDVLZGO-SECBINFHSA-N -1 0 243.259 0.875 20 30 BCEDRM C=CCNC(=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823507438 587227917 /nfs/dbraw/zinc/22/79/17/587227917.db2.gz XSUSGOUEAJMOGZ-MRVPVSSYSA-N -1 0 212.249 0.679 20 30 BCEDRM C=CCNC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000823506846 587227967 /nfs/dbraw/zinc/22/79/67/587227967.db2.gz NZJXCQHGBSOVNG-VIFPVBQESA-N -1 0 216.212 0.381 20 30 BCEDRM C=CCNC(=S)NN=CCCNC(=O)[O-] ZINC000823510884 587228767 /nfs/dbraw/zinc/22/87/67/587228767.db2.gz KICBIURAYQSUIX-UHFFFAOYSA-N -1 0 230.293 0.280 20 30 BCEDRM CC#CCN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000823521436 587228881 /nfs/dbraw/zinc/22/88/81/587228881.db2.gz CIGOCEKRBVJFRD-VHSXEESVSA-N -1 0 226.276 0.367 20 30 BCEDRM CC#CCN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823521433 587228931 /nfs/dbraw/zinc/22/89/31/587228931.db2.gz CIGOCEKRBVJFRD-NXEZZACHSA-N -1 0 226.276 0.367 20 30 BCEDRM CC#CCOC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000823522311 587229244 /nfs/dbraw/zinc/22/92/44/587229244.db2.gz ZMSKYGPYCJLJJO-JTQLQIEISA-N -1 0 229.207 0.645 20 30 BCEDRM CC#CCOC(=O)CN(CC1CC1)C(=O)[O-] ZINC000823522320 587229263 /nfs/dbraw/zinc/22/92/63/587229263.db2.gz ZRLPGQLHNPHHOJ-UHFFFAOYSA-N -1 0 225.244 0.943 20 30 BCEDRM CC(=NN[C@H](C)CO)[C@@H]1CCCCN1C(=O)[O-] ZINC000823532996 587229641 /nfs/dbraw/zinc/22/96/41/587229641.db2.gz OEQIAYVIKJEUDR-SCZZXKLOSA-N -1 0 243.307 0.865 20 30 BCEDRM C[C@H](C#N)CNC(=O)C[C@H](C)NC(=O)[O-] ZINC000823647795 587233635 /nfs/dbraw/zinc/23/36/35/587233635.db2.gz NVSXPDMRQRVOCH-RQJHMYQMSA-N -1 0 213.237 0.308 20 30 BCEDRM C[C@@H](C#N)CNC(=O)C[C@H](C)NC(=O)[O-] ZINC000823647792 587233766 /nfs/dbraw/zinc/23/37/66/587233766.db2.gz NVSXPDMRQRVOCH-BQBZGAKWSA-N -1 0 213.237 0.308 20 30 BCEDRM C[C@@H](C#N)COC(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000823646435 587234046 /nfs/dbraw/zinc/23/40/46/587234046.db2.gz BUIAKUAJYVSKQX-XVKPBYJWSA-N -1 0 244.222 0.781 20 30 BCEDRM C[C@@H](C#N)CN(C)C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000823648742 587234070 /nfs/dbraw/zinc/23/40/70/587234070.db2.gz WNGNUYCGEAUGLO-IUCAKERBSA-N -1 0 241.291 0.850 20 30 BCEDRM C[C@H](CN(C)C(=O)[O-])C(=O)O[C@@H](C)C#N ZINC000823647809 587234241 /nfs/dbraw/zinc/23/42/41/587234241.db2.gz OANYVDOQVAZHAQ-RQJHMYQMSA-N -1 0 214.221 0.688 20 30 BCEDRM C[C@H](C#N)OC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000823647091 587234333 /nfs/dbraw/zinc/23/43/33/587234333.db2.gz IUQBNWNFUYMLDO-BWZBUEFSSA-N -1 0 226.232 0.878 20 30 BCEDRM C[C@H](C#N)COC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000823647405 587234423 /nfs/dbraw/zinc/23/44/23/587234423.db2.gz KVEOKDRSKOKAAW-HTQZYQBOSA-N -1 0 226.232 0.689 20 30 BCEDRM C[C@H](C#N)CNN=C1CCN(C(=O)[O-])CC1 ZINC000823648843 587234447 /nfs/dbraw/zinc/23/44/47/587234447.db2.gz XZCQEORRDQHEPB-MRVPVSSYSA-N -1 0 224.264 0.865 20 30 BCEDRM C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)[O-] ZINC000823648644 587234572 /nfs/dbraw/zinc/23/45/72/587234572.db2.gz UVGXVUKCEHNVTB-BDAKNGLRSA-N -1 0 239.275 0.795 20 30 BCEDRM C[C@H](C#N)CN(C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000823648886 587234663 /nfs/dbraw/zinc/23/46/63/587234663.db2.gz YYTXUWYVOJSNST-SSDOTTSWSA-N -1 0 240.263 0.150 20 30 BCEDRM C[C@@H](NC(=O)[O-])C(=O)OC[C@@H](C)C#N ZINC000823648450 587234677 /nfs/dbraw/zinc/23/46/77/587234677.db2.gz SNCFCSDWEFACTE-NTSWFWBYSA-N -1 0 200.194 0.345 20 30 BCEDRM C[C@@H](C#N)COC(=O)[C@H](C)NC(=O)[O-] ZINC000823648453 587234701 /nfs/dbraw/zinc/23/47/01/587234701.db2.gz SNCFCSDWEFACTE-WDSKDSINSA-N -1 0 200.194 0.345 20 30 BCEDRM C[C@H](C#N)COC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000823648949 587234865 /nfs/dbraw/zinc/23/48/65/587234865.db2.gz ZVFVCXWJDKHBOC-RQJHMYQMSA-N -1 0 244.272 0.742 20 30 BCEDRM CC(C)(C)[C@H](C#N)NC(=O)CNC(=O)[O-] ZINC000823758851 587239722 /nfs/dbraw/zinc/23/97/22/587239722.db2.gz BDEMEVLPHMKOAA-LURJTMIESA-N -1 0 213.237 0.308 20 30 BCEDRM C=C(C)CO[N-]C(=O)[C@H]1CCC(=O)N1C ZINC000824028333 587249397 /nfs/dbraw/zinc/24/93/97/587249397.db2.gz FPELBPGJRYWXFE-MRVPVSSYSA-N -1 0 212.249 0.231 20 30 BCEDRM C=C[C@H](C)O[N-]C(=O)CS(=O)(=O)CCCC ZINC000824033959 587250191 /nfs/dbraw/zinc/25/01/91/587250191.db2.gz WKAXQAPJRMBOMB-VIFPVBQESA-N -1 0 249.332 0.824 20 30 BCEDRM C=C[C@H](C)O[N-]C(=O)C1(n2cccn2)CC1 ZINC000824034222 587250224 /nfs/dbraw/zinc/25/02/24/587250224.db2.gz ZAAWAHUTKPXAGG-VIFPVBQESA-N -1 0 221.260 0.995 20 30 BCEDRM C#C[C@@H]1CCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC000824290897 587264853 /nfs/dbraw/zinc/26/48/53/587264853.db2.gz SLJJLMJOIDXJJM-SNVBAGLBSA-N -1 0 247.302 0.394 20 30 BCEDRM C[C@@H](CC(=O)N(C)CCC#N)NC(=O)[O-] ZINC000824551100 587276040 /nfs/dbraw/zinc/27/60/40/587276040.db2.gz JEADGFURIXXCRP-ZETCQYMHSA-N -1 0 213.237 0.405 20 30 BCEDRM C=CCCO[N-]C(=O)[C@]1(C)CCC(=O)N1 ZINC000824660147 587281418 /nfs/dbraw/zinc/28/14/18/587281418.db2.gz PSXFDTUXELVGAY-JTQLQIEISA-N -1 0 212.249 0.279 20 30 BCEDRM CC(C[C@H]1CCCN1C(=O)[O-])=NN[C@H](C)CO ZINC000824758735 587286129 /nfs/dbraw/zinc/28/61/29/587286129.db2.gz ANQFTNGKLROPMV-NXEZZACHSA-N -1 0 243.307 0.865 20 30 BCEDRM C[C@H](CN(C)C(=O)[O-])C(=O)N(CC#N)CC#N ZINC000824825076 587288999 /nfs/dbraw/zinc/28/89/99/587288999.db2.gz QAXMTIYJZGGGBT-MRVPVSSYSA-N -1 0 238.247 0.108 20 30 BCEDRM C[C@H](CN(C)C(=O)[O-])C(=O)NC1(C#N)CC1 ZINC000824846316 587289803 /nfs/dbraw/zinc/28/98/03/587289803.db2.gz BXMVQMOCPXVBHF-SSDOTTSWSA-N -1 0 225.248 0.405 20 30 BCEDRM C#CCO[N-]C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000825136354 587305978 /nfs/dbraw/zinc/30/59/78/587305978.db2.gz ACQPGSBSCNXMQC-KGDYZURWSA-N -1 0 207.229 0.091 20 30 BCEDRM C[C@H](NC(=O)[O-])C(=O)Nc1cc(CC#N)ccn1 ZINC000825185143 587308793 /nfs/dbraw/zinc/30/87/93/587308793.db2.gz ACHCAHKEEGQINX-ZETCQYMHSA-N -1 0 248.242 0.742 20 30 BCEDRM C#CC[C@H](OC(=O)CNC(=O)[O-])C(C)C ZINC000825600560 587326608 /nfs/dbraw/zinc/32/66/08/587326608.db2.gz UVCAUYJWZVVXDZ-QMMMGPOBSA-N -1 0 213.233 0.845 20 30 BCEDRM C#CCNC(=O)CNc1cccc(NC(=O)[O-])c1 ZINC000825619840 587327755 /nfs/dbraw/zinc/32/77/55/587327755.db2.gz PUJIKAYJLIRNMC-UHFFFAOYSA-N -1 0 247.254 0.938 20 30 BCEDRM C=C1CCN(S(=O)(=O)C[C@H](C)C(=O)[O-])CC1 ZINC000825647616 587329056 /nfs/dbraw/zinc/32/90/56/587329056.db2.gz SAWDXDPDRPGHOT-VIFPVBQESA-N -1 0 247.316 0.689 20 30 BCEDRM C=C(COC(=O)[C@H](C)CC(=O)[O-])C(=O)OCC ZINC000825647258 587329152 /nfs/dbraw/zinc/32/91/52/587329152.db2.gz IEJDUGNLPCJFII-SSDOTTSWSA-N -1 0 244.243 0.760 20 30 BCEDRM C=C(Cl)CNS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000825647557 587329282 /nfs/dbraw/zinc/32/92/82/587329282.db2.gz OOFOLEDNQKUPCL-YFKPBYRVSA-N -1 0 241.696 0.379 20 30 BCEDRM C=C[C@@H](C)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000825659821 587329378 /nfs/dbraw/zinc/32/93/78/587329378.db2.gz HDMJFMBFLSXINO-RNFRBKRXSA-N -1 0 221.278 0.201 20 30 BCEDRM C=CC[C@H](C)NS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000825659766 587329476 /nfs/dbraw/zinc/32/94/76/587329476.db2.gz DDQLNOXQPRWLAO-SFYZADRCSA-N -1 0 235.305 0.591 20 30 BCEDRM C=C[C@H](C)NS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000825659819 587329498 /nfs/dbraw/zinc/32/94/98/587329498.db2.gz HDMJFMBFLSXINO-BQBZGAKWSA-N -1 0 221.278 0.201 20 30 BCEDRM C=CCCC(=O)N(C)[C@@H](COCC)C(=O)[O-] ZINC000825664834 587330548 /nfs/dbraw/zinc/33/05/48/587330548.db2.gz MYCARGDPQDIAAE-VIFPVBQESA-N -1 0 229.276 0.901 20 30 BCEDRM C=CCCCC(=O)O[C@@H](C)C(=O)NCC(=O)[O-] ZINC000825671662 587330678 /nfs/dbraw/zinc/33/06/78/587330678.db2.gz ZGFCLKBTODVUEY-QMMMGPOBSA-N -1 0 243.259 0.475 20 30 BCEDRM C=CCNC(=O)[C@H](C)OC(=O)[C@@H](C)CC(=O)[O-] ZINC000825687434 587332278 /nfs/dbraw/zinc/33/22/78/587332278.db2.gz JUGLAVKRLICYHJ-YUMQZZPRSA-N -1 0 243.259 0.331 20 30 BCEDRM C=CCNC(=O)[C@@H](C#N)C(=O)[C@@H](C)CC(=O)[O-] ZINC000825687528 587332336 /nfs/dbraw/zinc/33/23/36/587332336.db2.gz NZFMSMYRDIZOEB-YUMQZZPRSA-N -1 0 238.243 0.108 20 30 BCEDRM C[C@@H](C#N)NC(=O)c1ccnc(C(=O)[O-])c1 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ZINC000738493971 603155044 /nfs/dbraw/zinc/15/50/44/603155044.db2.gz ODGRAQKWOSKPAY-RNFRBKRXSA-N -1 0 249.650 0.395 20 30 BCEDRM C=CCNC(=S)N(C)CCCNC(=O)[O-] ZINC000738491271 603162112 /nfs/dbraw/zinc/16/21/12/603162112.db2.gz KGJRIMZDVHDIBR-UHFFFAOYSA-N -1 0 231.321 0.636 20 30 BCEDRM C=C(Cl)CNC(=O)COCCNC(=O)[O-] ZINC000738485785 603240208 /nfs/dbraw/zinc/24/02/08/603240208.db2.gz RNFKWBOSFFFVMN-UHFFFAOYSA-N -1 0 236.655 0.139 20 30 BCEDRM C=C(Cl)CNC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000738485216 603240357 /nfs/dbraw/zinc/24/03/57/603240357.db2.gz FOUDEXVIWKYWJQ-SSDOTTSWSA-N -1 0 232.667 0.998 20 30 BCEDRM C=C(Cl)CNC(=O)[C@@H](C)NC(=O)[O-] ZINC000738485128 603240360 /nfs/dbraw/zinc/24/03/60/603240360.db2.gz APZSQXZEIRWVLB-RXMQYKEDSA-N -1 0 206.629 0.511 20 30 BCEDRM N#CCCCCNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000740306421 603243050 /nfs/dbraw/zinc/24/30/50/603243050.db2.gz GKMQBRWYTIZPCP-SECBINFHSA-N -1 0 239.275 0.796 20 30 BCEDRM CN(CCCNC(=O)[O-])c1nccnc1C#N ZINC000739680048 603246212 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ZINC000910050087 639353347 /nfs/dbraw/zinc/35/33/47/639353347.db2.gz FDTYMXPBSDMOBH-JTQLQIEISA-N -1 0 246.266 0.850 20 30 BCEDRM C#CC[C@H](NC(=O)[C@@](C)(O)CCC)C(=O)[O-] ZINC000910049237 639353412 /nfs/dbraw/zinc/35/34/12/639353412.db2.gz UESWOYSPEKIWBK-KWQFWETISA-N -1 0 227.260 0.130 20 30 BCEDRM C#CC[C@H](NC(=O)c1cncc(CC)c1)C(=O)[O-] ZINC000910050169 639353420 /nfs/dbraw/zinc/35/34/20/639353420.db2.gz GRBRGYUEDDBVIC-NSHDSACASA-N -1 0 246.266 0.850 20 30 BCEDRM C#CC[C@@H](NC(=O)[C@H](OC)C(C)C)C(=O)[O-] ZINC000910050678 639354703 /nfs/dbraw/zinc/35/47/03/639354703.db2.gz NKCACFKWJZFUBT-RKDXNWHRSA-N -1 0 227.260 0.250 20 30 BCEDRM C#CC[C@H](NC(=O)c1nc(C)oc1C)C(=O)[O-] ZINC000910050654 639354867 /nfs/dbraw/zinc/35/48/67/639354867.db2.gz MTUPLVAPQGVZJT-QMMMGPOBSA-N -1 0 236.227 0.498 20 30 BCEDRM C=C[C@H](O)C(=O)N(CC(=O)[O-])C1CCCC1 ZINC000910062867 639362747 /nfs/dbraw/zinc/36/27/47/639362747.db2.gz SGKCPSPLAXWQPT-VIFPVBQESA-N -1 0 227.260 0.389 20 30 BCEDRM 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587222030 /nfs/dbraw/zinc/22/20/30/587222030.db2.gz NLAURWGHXKVSHV-YUMQZZPRSA-N -1 0 213.233 0.844 20 30 BCEDRM C#CCCCCNC(=O)CC1CN(C(=O)[O-])C1 ZINC000823441052 587222234 /nfs/dbraw/zinc/22/22/34/587222234.db2.gz RFDJVOAPNFVUDQ-UHFFFAOYSA-N -1 0 238.287 0.906 20 30 BCEDRM C#C[C@@H](C)OC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000823441121 587222243 /nfs/dbraw/zinc/22/22/43/587222243.db2.gz UTPYJJNPLQWBEE-BDAKNGLRSA-N -1 0 241.243 0.320 20 30 BCEDRM C#CCCCNC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000823445236 587222448 /nfs/dbraw/zinc/22/24/48/587222448.db2.gz WIQHNOWXWOLHMY-SECBINFHSA-N -1 0 224.260 0.516 20 30 BCEDRM C#CCCNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000823444380 587222555 /nfs/dbraw/zinc/22/25/55/587222555.db2.gz HMRDZGGHKCIRFF-MRVPVSSYSA-N -1 0 212.249 0.372 20 30 BCEDRM C#CCCCNC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000823445237 587222588 /nfs/dbraw/zinc/22/25/88/587222588.db2.gz WIQHNOWXWOLHMY-VIFPVBQESA-N -1 0 224.260 0.516 20 30 BCEDRM C#CCN(CC#C)C(=O)C[C@@H](C)NC(=O)[O-] ZINC000823451524 587222785 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/nfs/dbraw/zinc/22/28/33/587222833.db2.gz WNGTXJWEMTUETH-NSHDSACASA-N -1 0 242.250 0.560 20 30 BCEDRM C#CCCOC(=O)[C@@]1(C)CCN(C(=O)[O-])C1 ZINC000823450767 587222884 /nfs/dbraw/zinc/22/28/84/587222884.db2.gz ITYPFGRXSXNLJJ-NSHDSACASA-N -1 0 225.244 0.943 20 30 BCEDRM C#CCN(CC#C)C(=O)[C@H](CCC)NC(=O)[O-] ZINC000823451413 587222977 /nfs/dbraw/zinc/22/29/77/587222977.db2.gz UKDPRCYTINEIKX-JTQLQIEISA-N -1 0 236.271 0.518 20 30 BCEDRM C#CCN(CC#C)C(=O)CCCN(C)C(=O)[O-] ZINC000823451199 587223007 /nfs/dbraw/zinc/22/30/07/587223007.db2.gz PWSGFMIWFFVAOH-UHFFFAOYSA-N -1 0 236.271 0.471 20 30 BCEDRM C#CCN(CC#C)C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000823451053 587223023 /nfs/dbraw/zinc/22/30/23/587223023.db2.gz MJOGZDTWMMDTBE-JTQLQIEISA-N -1 0 236.271 0.327 20 30 BCEDRM C#CCNC(=O)N1CC[C@H](NC(=O)[O-])C[C@@H]1C ZINC000823456165 587223315 /nfs/dbraw/zinc/22/33/15/587223315.db2.gz LCRQJKGWAQACDT-IUCAKERBSA-N -1 0 239.275 0.450 20 30 BCEDRM C#CCOC(=O)[C@@H]1CCC[C@H](NC(=O)[O-])C1 ZINC000823463438 587223947 /nfs/dbraw/zinc/22/39/47/587223947.db2.gz PPKKIZBFXZZAIO-BDAKNGLRSA-N -1 0 225.244 0.989 20 30 BCEDRM C=C(C)COC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823480540 587225270 /nfs/dbraw/zinc/22/52/70/587225270.db2.gz GCQPTJZGUQKHBT-SECBINFHSA-N -1 0 243.259 0.875 20 30 BCEDRM C=C[C@H](C)NC(=O)C[C@H](C)NC(=O)[O-] ZINC000823486155 587225927 /nfs/dbraw/zinc/22/59/27/587225927.db2.gz QJNLIJZRCBVTLX-BQBZGAKWSA-N -1 0 200.238 0.723 20 30 BCEDRM C=C[C@@H](C)NC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000823486542 587226143 /nfs/dbraw/zinc/22/61/43/587226143.db2.gz YTDSHIAEBROKIR-HTQZYQBOSA-N -1 0 228.248 0.056 20 30 BCEDRM C=CCCOC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823496561 587226985 /nfs/dbraw/zinc/22/69/85/587226985.db2.gz LMLMWGXQRNFWRE-QMMMGPOBSA-N -1 0 229.232 0.485 20 30 BCEDRM C=CCCOC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000823496444 587227253 /nfs/dbraw/zinc/22/72/53/587227253.db2.gz JNQGEBSUNVKKSY-QMMMGPOBSA-N -1 0 229.232 0.485 20 30 BCEDRM C=CCNC(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000823506303 587227949 /nfs/dbraw/zinc/22/79/49/587227949.db2.gz GCUKWOVNUBWXKI-MRVPVSSYSA-N -1 0 227.264 0.614 20 30 BCEDRM C=CCNC(=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000823507440 587228050 /nfs/dbraw/zinc/22/80/50/587228050.db2.gz XSUSGOUEAJMOGZ-QMMMGPOBSA-N -1 0 212.249 0.679 20 30 BCEDRM C=CCNC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000823506197 587228140 /nfs/dbraw/zinc/22/81/40/587228140.db2.gz CSSAVNFCISAWIW-SFYZADRCSA-N -1 0 212.249 0.725 20 30 BCEDRM C=CCNC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)[O-] ZINC000823510634 587228733 /nfs/dbraw/zinc/22/87/33/587228733.db2.gz FVAUREURMSMPQI-RKDXNWHRSA-N -1 0 241.291 0.908 20 30 BCEDRM C=CCOC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000823510728 587228734 /nfs/dbraw/zinc/22/87/34/587228734.db2.gz HZKIQCYYNQZBKJ-SECBINFHSA-N -1 0 217.196 0.808 20 30 BCEDRM C=CCOC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000823516171 587229008 /nfs/dbraw/zinc/22/90/08/587229008.db2.gz BILPMSFTGXWZSF-VIFPVBQESA-N -1 0 243.259 0.875 20 30 BCEDRM C[C@H](C#N)NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000823646346 587234061 /nfs/dbraw/zinc/23/40/61/587234061.db2.gz AHKXEQZCGWEEHC-SSDOTTSWSA-N -1 0 225.248 0.595 20 30 BCEDRM C[C@H](C#N)COC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000823647407 587234072 /nfs/dbraw/zinc/23/40/72/587234072.db2.gz KVEOKDRSKOKAAW-SFYZADRCSA-N -1 0 226.232 0.689 20 30 BCEDRM C[C@@H](C#N)CNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000823646451 587234085 /nfs/dbraw/zinc/23/40/85/587234085.db2.gz CAXSZFGFEYJXJP-QMMMGPOBSA-N -1 0 239.275 0.652 20 30 BCEDRM C[C@H](C#N)NC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000823647788 587234146 /nfs/dbraw/zinc/23/41/46/587234146.db2.gz NUIIZBVYRMTFJS-GMSGAONNSA-N -1 0 225.248 0.405 20 30 BCEDRM C[C@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)[O-] ZINC000823648002 587234171 /nfs/dbraw/zinc/23/41/71/587234171.db2.gz PEYYZOGFVIUEKO-HTQZYQBOSA-N -1 0 225.248 0.405 20 30 BCEDRM C[C@@H](C#N)CNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000823646380 587234280 /nfs/dbraw/zinc/23/42/80/587234280.db2.gz AVRXBNOCRLAWIU-GZMMTYOYSA-N -1 0 239.275 0.652 20 30 BCEDRM C[C@H](C#N)OC(=O)CN(CC1CC1)C(=O)[O-] ZINC000823646816 587234285 /nfs/dbraw/zinc/23/42/85/587234285.db2.gz GYJCEAWXYXGTIB-SSDOTTSWSA-N -1 0 226.232 0.832 20 30 BCEDRM C[C@H](C#N)C(=O)N(C)CC(C)(C)CNC(=O)[O-] ZINC000823647671 587234296 /nfs/dbraw/zinc/23/42/96/587234296.db2.gz MMJLFMFZGJWKLD-MRVPVSSYSA-N -1 0 241.291 0.898 20 30 BCEDRM C[C@@H](C#N)OC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000823647806 587234371 /nfs/dbraw/zinc/23/43/71/587234371.db2.gz OANYVDOQVAZHAQ-BQBZGAKWSA-N -1 0 214.221 0.688 20 30 BCEDRM C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)C(=O)[O-] ZINC000823648756 587234463 /nfs/dbraw/zinc/23/44/63/587234463.db2.gz WRTZXJKIELBBRA-BDAKNGLRSA-N -1 0 239.275 0.747 20 30 BCEDRM C[C@@H](C#N)CN(C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000823648887 587234481 /nfs/dbraw/zinc/23/44/81/587234481.db2.gz YYTXUWYVOJSNST-ZETCQYMHSA-N -1 0 240.263 0.150 20 30 BCEDRM C[C@@H](C#N)CNN=C1CCN(C(=O)[O-])CC1 ZINC000823648844 587234503 /nfs/dbraw/zinc/23/45/03/587234503.db2.gz XZCQEORRDQHEPB-QMMMGPOBSA-N -1 0 224.264 0.865 20 30 BCEDRM C[C@H](C#N)COC(=O)CCNC(=O)[O-] ZINC000823648483 587234647 /nfs/dbraw/zinc/23/46/47/587234647.db2.gz SWPMKNRPGXWGBD-ZCFIWIBFSA-N -1 0 200.194 0.347 20 30 BCEDRM C[C@H](C#N)C(=O)N[C@H]1CCC[C@H]1CNC(=O)[O-] ZINC000823648681 587234856 /nfs/dbraw/zinc/23/48/56/587234856.db2.gz VEGLXVLXFAEJBO-VGMNWLOBSA-N -1 0 239.275 0.699 20 30 BCEDRM CC(C)(C#N)NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000823738318 587238602 /nfs/dbraw/zinc/23/86/02/587238602.db2.gz VOXZZUASJBTVQV-UHFFFAOYSA-N -1 0 239.275 0.985 20 30 BCEDRM C=C[C@@H](C)O[N-]C(=O)C1(n2cccn2)CC1 ZINC000824034221 587250165 /nfs/dbraw/zinc/25/01/65/587250165.db2.gz ZAAWAHUTKPXAGG-SECBINFHSA-N -1 0 221.260 0.995 20 30 BCEDRM C=C[C@H](C)O[N-]C(=O)[C@]1(C)CCC(=O)N1 ZINC000824232745 587261823 /nfs/dbraw/zinc/26/18/23/587261823.db2.gz MKCWIJARRIUEEW-XVKPBYJWSA-N -1 0 212.249 0.277 20 30 BCEDRM C=C(C)CO[N-]C(=O)[C@@H]1CCCCN(C)C1=O ZINC000824233815 587262068 /nfs/dbraw/zinc/26/20/68/587262068.db2.gz YTJFOBJWJWSNEB-JTQLQIEISA-N -1 0 240.303 0.869 20 30 BCEDRM CC(C)Cn1cnc(C#N)c1-c1nn[nH]n1 ZINC000824280440 587264369 /nfs/dbraw/zinc/26/43/69/587264369.db2.gz NTBCEBQBFXJTMQ-UHFFFAOYSA-N -1 0 217.236 0.591 20 30 BCEDRM C[C@@H](CC#N)NC(=O)CC1(NC(=O)[O-])CCC1 ZINC000824543312 587274946 /nfs/dbraw/zinc/27/49/46/587274946.db2.gz HQLUUGKWCKVWMB-QMMMGPOBSA-N -1 0 239.275 0.985 20 30 BCEDRM C[C@H](CC(=O)N(C)[C@H](C)CC#N)NC(=O)[O-] ZINC000824549422 587275409 /nfs/dbraw/zinc/27/54/09/587275409.db2.gz AQBSBFCJYMFESS-HTQZYQBOSA-N -1 0 227.264 0.793 20 30 BCEDRM C[C@H](CC#N)NC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000824545716 587275529 /nfs/dbraw/zinc/27/55/29/587275529.db2.gz ZMVPKPKSDVCCTI-JGVFFNPUSA-N -1 0 227.264 0.651 20 30 BCEDRM C[C@H](CC#N)N(C)C(=O)C[C@H](C)NC(=O)[O-] ZINC000824549423 587275552 /nfs/dbraw/zinc/27/55/52/587275552.db2.gz AQBSBFCJYMFESS-JGVFFNPUSA-N -1 0 227.264 0.793 20 30 BCEDRM C[C@H](CC#N)N(C)C(=O)CC1CN(C(=O)[O-])C1 ZINC000824544522 587275553 /nfs/dbraw/zinc/27/55/53/587275553.db2.gz RJWUHHBQECUPCN-MRVPVSSYSA-N -1 0 239.275 0.747 20 30 BCEDRM C[C@H](CC#N)NC(=O)C[C@H](C)NC(=O)[O-] ZINC000824604901 587278856 /nfs/dbraw/zinc/27/88/56/587278856.db2.gz HGLYVKXOAFIGKC-RQJHMYQMSA-N -1 0 213.237 0.451 20 30 BCEDRM C[C@H](CC(=O)NC1(C#N)CCCC1)NC(=O)[O-] ZINC000824614952 587279449 /nfs/dbraw/zinc/27/94/49/587279449.db2.gz QYKIIVYSALMQBL-MRVPVSSYSA-N -1 0 239.275 0.985 20 30 BCEDRM C=CCCO[N-]C(=O)[C@@]1(C)CCNC1=O ZINC000824660253 587281304 /nfs/dbraw/zinc/28/13/04/587281304.db2.gz RHKDFCQJNTVAAT-JTQLQIEISA-N -1 0 212.249 0.137 20 30 BCEDRM C[C@@H](CC(=O)n1ncc(C#N)c1N)NC(=O)[O-] ZINC000824744559 587285119 /nfs/dbraw/zinc/28/51/19/587285119.db2.gz ZYSAOBPDLGCWBS-YFKPBYRVSA-N -1 0 237.219 0.023 20 30 BCEDRM CC(C[C@@H]1CCCN1C(=O)[O-])=NN[C@H](C)CO ZINC000824758738 587285958 /nfs/dbraw/zinc/28/59/58/587285958.db2.gz ANQFTNGKLROPMV-ZJUUUORDSA-N -1 0 243.307 0.865 20 30 BCEDRM C[C@H](CN(C)C(=O)[O-])C(=O)N(C)CC#N ZINC000824822504 587288855 /nfs/dbraw/zinc/28/88/55/587288855.db2.gz ALFDETSZXBCSID-SSDOTTSWSA-N -1 0 213.237 0.214 20 30 BCEDRM C[C@H](CN(C)C(=O)[O-])C(=O)N(C)[C@@H](C)CC#N ZINC000824825329 587289061 /nfs/dbraw/zinc/28/90/61/587289061.db2.gz RICQKOKRWXZWIL-BDAKNGLRSA-N -1 0 241.291 0.993 20 30 BCEDRM C[C@@H](CN(C)C(=O)[O-])C(=O)OCC#N ZINC000824889322 587291989 /nfs/dbraw/zinc/29/19/89/587291989.db2.gz ONJGBXGVRJZSGV-LURJTMIESA-N -1 0 200.194 0.299 20 30 BCEDRM C#CCO[N-]C(=O)[C@]12C[C@H]1COC21CCC1 ZINC000825138086 587306284 /nfs/dbraw/zinc/30/62/84/587306284.db2.gz VDGVCDATDYBOAA-CABZTGNLSA-N -1 0 221.256 0.627 20 30 BCEDRM C#CCO[N-]C(=O)[C@](C)(NC(C)=O)C(C)C ZINC000825136968 587306435 /nfs/dbraw/zinc/30/64/35/587306435.db2.gz IECFWYQEODBXBS-LLVKDONJSA-N -1 0 226.276 0.218 20 30 BCEDRM C#CC[C@@H](OC(=O)CNC(=O)[O-])C(C)C ZINC000825600559 587326444 /nfs/dbraw/zinc/32/64/44/587326444.db2.gz UVCAUYJWZVVXDZ-MRVPVSSYSA-N -1 0 213.233 0.845 20 30 BCEDRM C#CCCCCNS(=O)(=O)C[C@@H](C)C(=O)[O-] ZINC000825605894 587326820 /nfs/dbraw/zinc/32/68/20/587326820.db2.gz XIQOQAWFZCZWHA-SECBINFHSA-N -1 0 247.316 0.430 20 30 BCEDRM C#CCCCCNS(=O)(=O)C[C@H](C)C(=O)[O-] ZINC000825605895 587326921 /nfs/dbraw/zinc/32/69/21/587326921.db2.gz XIQOQAWFZCZWHA-VIFPVBQESA-N -1 0 247.316 0.430 20 30 BCEDRM C#CCN(CC#C)C(=O)[C@@H](C)CC(=O)[O-] ZINC000825609070 587327174 /nfs/dbraw/zinc/32/71/74/587327174.db2.gz QTNBSYIJECZKLT-VIFPVBQESA-N -1 0 207.229 0.192 20 30 BCEDRM C#CCNC(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000825620094 587327380 /nfs/dbraw/zinc/32/73/80/587327380.db2.gz VQGFLNQRLVPIBF-UHFFFAOYSA-N -1 0 221.187 0.887 20 30 BCEDRM C#CCNC(=O)CNc1ccccc1C(=O)[O-] ZINC000825619364 587327666 /nfs/dbraw/zinc/32/76/66/587327666.db2.gz LIPBGXKDCPILQC-UHFFFAOYSA-N -1 0 232.239 0.546 20 30 BCEDRM C=C[C@@H](C)NS(=O)(=O)CC1(CC(=O)[O-])CC1 ZINC000825660153 587329733 /nfs/dbraw/zinc/32/97/33/587329733.db2.gz XDDJAVFCDNNJDE-MRVPVSSYSA-N -1 0 247.316 0.735 20 30 BCEDRM C=CCNC(=O)[C@@H](C)N1CC[C@](F)(C(=O)[O-])C1 ZINC000825687195 587331987 /nfs/dbraw/zinc/33/19/87/587331987.db2.gz DDDMBGLVPHUWLE-LDYMZIIASA-N -1 0 244.266 0.176 20 30 BCEDRM 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20 30 BCEDRM CC(=NN[C@H](C)CO)[C@H]1CCCCN1C(=O)[O-] ZINC000823532995 587229951 /nfs/dbraw/zinc/22/99/51/587229951.db2.gz OEQIAYVIKJEUDR-PSASIEDQSA-N -1 0 243.307 0.865 20 30 BCEDRM C[C@H](C#N)C(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000823647069 587234036 /nfs/dbraw/zinc/23/40/36/587234036.db2.gz IPPCKOPXUHIOKA-IWSPIJDZSA-N -1 0 239.275 0.793 20 30 BCEDRM C[C@H](C#N)CN(C)C(=O)C[C@H](C)NC(=O)[O-] ZINC000823647394 587234218 /nfs/dbraw/zinc/23/42/18/587234218.db2.gz KQRADVGLPFLOBK-SFYZADRCSA-N -1 0 227.264 0.651 20 30 BCEDRM C[C@H](C#N)C(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000823647618 587234245 /nfs/dbraw/zinc/23/42/45/587234245.db2.gz MCLHWLOEZVAJOQ-HTQZYQBOSA-N -1 0 225.248 0.357 20 30 BCEDRM C[C@@H](C#N)CNC(=O)C1(NC(=O)[O-])CC1 ZINC000823647955 587234391 /nfs/dbraw/zinc/23/43/91/587234391.db2.gz OWHOXTRZLBZGCZ-LURJTMIESA-N -1 0 211.221 0.062 20 30 BCEDRM C[C@@H](C#N)NC(=O)CN(CC1CC1)C(=O)[O-] ZINC000823646651 587234408 /nfs/dbraw/zinc/23/44/08/587234408.db2.gz DMOFDIOYDKHPMB-ZETCQYMHSA-N 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C=C[C@@H](O)C(=O)N[C@@](C)(CC(=O)[O-])C(C)C ZINC000909689366 639209570 /nfs/dbraw/zinc/20/95/70/639209570.db2.gz TZRNPSGGPFVOMC-KCJUWKMLSA-N -1 0 229.276 0.539 20 30 BCEDRM C=CCC[C@@H](NC(=O)CC(C)(C)O)C(=O)[O-] ZINC000909717701 639210087 /nfs/dbraw/zinc/21/00/87/639210087.db2.gz KGXVVOQXAJEHOD-MRVPVSSYSA-N -1 0 229.276 0.683 20 30 BCEDRM C=CCC[C@H](NC(=O)c1cocn1)C(=O)[O-] ZINC000909718702 639212080 /nfs/dbraw/zinc/21/20/80/639212080.db2.gz RHGBZNHJDKCDRY-ZETCQYMHSA-N -1 0 224.216 0.824 20 30 BCEDRM C=CCOC[C@@H](NC(=O)C(C)(C)C=C)C(=O)[O-] ZINC000909770658 639218828 /nfs/dbraw/zinc/21/88/28/639218828.db2.gz HKDJAJNVOORTBY-SECBINFHSA-N -1 0 241.287 0.971 20 30 BCEDRM C=CCOC[C@@H](NC(=O)[C@@H]1C[C@H]1CC)C(=O)[O-] ZINC000909771813 639219451 /nfs/dbraw/zinc/21/94/51/639219451.db2.gz QPGNBJMJMJERFR-OPRDCNLKSA-N -1 0 241.287 0.805 20 30 BCEDRM C=C[C@](C)(O)C(=O)N[C@@H](CC(F)F)C(=O)[O-] ZINC000909773195 639220002 /nfs/dbraw/zinc/22/00/02/639220002.db2.gz GFFVOKDHRQYQMF-CDUCUWFYSA-N -1 0 237.202 0.148 20 30 BCEDRM C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1C(=O)[O-] ZINC000909784004 639224440 /nfs/dbraw/zinc/22/44/40/639224440.db2.gz XKCDFUQXGVPLGS-ZJUUUORDSA-N -1 0 241.287 0.901 20 30 BCEDRM C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC)C(=O)[O-] ZINC000909851672 639233691 /nfs/dbraw/zinc/23/36/91/639233691.db2.gz XOOVSNMYLNRGEF-AEJSXWLSSA-N -1 0 241.287 0.805 20 30 BCEDRM C#CCO[C@@H](C)C(=O)NC[C@@H](CC)C(=O)[O-] ZINC000909870124 639240289 /nfs/dbraw/zinc/24/02/89/639240289.db2.gz SPMANNCIMLFEMR-DTWKUNHWSA-N -1 0 227.260 0.252 20 30 BCEDRM C#CCO[C@H](C)C(=O)NC[C@@H](CC)C(=O)[O-] ZINC000909870126 639244021 /nfs/dbraw/zinc/24/40/21/639244021.db2.gz SPMANNCIMLFEMR-RKDXNWHRSA-N -1 0 227.260 0.252 20 30 BCEDRM C=C[C@H](O)C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000909882438 639254211 /nfs/dbraw/zinc/25/42/11/639254211.db2.gz KCJOOSLWYQMQEP-BDAKNGLRSA-N -1 0 227.260 0.150 20 30 BCEDRM C=C[C@H](O)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000909905874 639265402 /nfs/dbraw/zinc/26/54/02/639265402.db2.gz RMDBYAWYOFULPU-AEJSXWLSSA-N -1 0 239.271 0.103 20 30 BCEDRM C=CCOCCNC(=O)CCSCC(=O)[O-] ZINC000909989903 639301036 /nfs/dbraw/zinc/30/10/36/639301036.db2.gz NKKNHJQMJUOQNP-UHFFFAOYSA-N -1 0 247.316 0.513 20 30 BCEDRM C#CC[C@H](NC(=O)c1cnn(C)c1CC)C(=O)[O-] ZINC000910051208 639337234 /nfs/dbraw/zinc/33/72/34/639337234.db2.gz GPIMRQXDFBPVOD-VIFPVBQESA-N -1 0 249.270 0.189 20 30 BCEDRM C#CC[C@H](NC(=O)c1ccnn1C(C)C)C(=O)[O-] ZINC000910051062 639337330 /nfs/dbraw/zinc/33/73/30/639337330.db2.gz RJZHDAAOUGSHAA-VIFPVBQESA-N -1 0 249.270 0.670 20 30 BCEDRM C#CC[C@H](NC(=O)C(C)(C)CCOC)C(=O)[O-] ZINC000910051024 639337621 /nfs/dbraw/zinc/33/76/21/639337621.db2.gz QJCQIOAUVCAFAY-VIFPVBQESA-N -1 0 241.287 0.642 20 30 BCEDRM C#CC[C@@H](NC(=O)C1(SC)CC1)C(=O)[O-] ZINC000910051059 639337637 /nfs/dbraw/zinc/33/76/37/639337637.db2.gz RJAHZTCIIVZBJV-SSDOTTSWSA-N -1 0 227.285 0.475 20 30 BCEDRM C#CC[C@@H](NC(=O)C[C@](C)(O)C1CC1)C(=O)[O-] ZINC000910051389 639337897 /nfs/dbraw/zinc/33/78/97/639337897.db2.gz UGOLTGGHSBHZEA-SKDRFNHKSA-N -1 0 239.271 0.130 20 30 BCEDRM C#CC[C@@H](NC(=O)CNc1ccccn1)C(=O)[O-] ZINC000910051518 639338048 /nfs/dbraw/zinc/33/80/48/639338048.db2.gz WYPXOQSQXFGTBL-SECBINFHSA-N -1 0 247.254 0.086 20 30 BCEDRM C#CC[C@H](NC(=O)/C=C\[C@H]1CCOC1)C(=O)[O-] ZINC000910051356 639338375 /nfs/dbraw/zinc/33/83/75/639338375.db2.gz SVOAWFRJQBRNGB-NDVXOHMPSA-N -1 0 237.255 0.172 20 30 BCEDRM C#CC[C@@H](NC(=O)c1cc(C)[nH]c1C)C(=O)[O-] ZINC000910053819 639338568 /nfs/dbraw/zinc/33/85/68/639338568.db2.gz DSCCJXMIMOXBJU-SNVBAGLBSA-N -1 0 234.255 0.838 20 30 BCEDRM C#CC[C@H](NC(=O)[C@]1(C)CCCCO1)C(=O)[O-] ZINC000910052231 639339140 /nfs/dbraw/zinc/33/91/40/639339140.db2.gz PMZOUXMBDRUPDG-CABZTGNLSA-N -1 0 239.271 0.538 20 30 BCEDRM C#CC[C@@H](NC(=O)c1cc(CC)n[nH]1)C(=O)[O-] ZINC000910053069 639339150 /nfs/dbraw/zinc/33/91/50/639339150.db2.gz NUIXSYWFQLKIGP-MRVPVSSYSA-N -1 0 235.243 0.178 20 30 BCEDRM C#CC[C@@H](NC(=O)Cc1cc(C)no1)C(=O)[O-] ZINC000910052123 639339689 /nfs/dbraw/zinc/33/96/89/639339689.db2.gz OVEOAHCMCMMUFB-SECBINFHSA-N -1 0 236.227 0.118 20 30 BCEDRM C#CC[C@H](NC(=O)[C@H](C)OCC(C)C)C(=O)[O-] ZINC000910052311 639339789 /nfs/dbraw/zinc/33/97/89/639339789.db2.gz TXAOJBVRJVSYTA-UWVGGRQHSA-N -1 0 241.287 0.640 20 30 BCEDRM C#CC[C@@H](NC(=O)[C@@H](C)OCCCC)C(=O)[O-] ZINC000910053619 639339920 /nfs/dbraw/zinc/33/99/20/639339920.db2.gz WTYICMINEMOSNI-NXEZZACHSA-N -1 0 241.287 0.784 20 30 BCEDRM C#CC[C@H](NC(=O)C(C)(C)COC)C(=O)[O-] ZINC000910051694 639340021 /nfs/dbraw/zinc/34/00/21/639340021.db2.gz YQRRLGUQEFIQSM-QMMMGPOBSA-N -1 0 227.260 0.252 20 30 BCEDRM C=C[C@@H](O)C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000910044669 639349281 /nfs/dbraw/zinc/34/92/81/639349281.db2.gz RYYRTKARXSUFSH-DTWKUNHWSA-N -1 0 227.260 0.389 20 30 BCEDRM C#CC[C@H](NC(=O)[C@H]1CC[C@@H](OC)C1)C(=O)[O-] ZINC000910046081 639349600 /nfs/dbraw/zinc/34/96/00/639349600.db2.gz LIHRCRSSWHAANQ-AEJSXWLSSA-N -1 0 239.271 0.394 20 30 BCEDRM C#CC[C@@H](NC(=O)[C@@]1(C)CC1(F)F)C(=O)[O-] ZINC000910046657 639350246 /nfs/dbraw/zinc/35/02/46/639350246.db2.gz UAWHFMVXXXQXSF-HZGVNTEJSA-N -1 0 231.198 0.624 20 30 BCEDRM C#CC[C@H](NC(=O)C1(COCC)CC1)C(=O)[O-] ZINC000910047087 639350355 /nfs/dbraw/zinc/35/03/55/639350355.db2.gz XYLGKOXONFYENA-VIFPVBQESA-N -1 0 239.271 0.396 20 30 BCEDRM C#CC[C@H](NC(=O)c1cnn(CC)c1C)C(=O)[O-] ZINC000910048769 639350393 /nfs/dbraw/zinc/35/03/93/639350393.db2.gz OJLRRSZLTQQMNY-JTQLQIEISA-N -1 0 249.270 0.418 20 30 BCEDRM C#CC[C@H](NC(=O)[C@@H](C)[C@@H](C)COC)C(=O)[O-] ZINC000910048111 639350707 /nfs/dbraw/zinc/35/07/07/639350707.db2.gz DSHKJGLPUTVUQI-GUBZILKMSA-N -1 0 241.287 0.498 20 30 BCEDRM C#CC[C@H](NC(=O)CO[C@@H](C)CC)C(=O)[O-] ZINC000910047060 639350811 /nfs/dbraw/zinc/35/08/11/639350811.db2.gz XPPPQTLUECKMEV-IUCAKERBSA-N -1 0 227.260 0.394 20 30 BCEDRM C#CC[C@H](NC(=O)[C@@H](OCC)C1CC1)C(=O)[O-] ZINC000910048047 639350967 /nfs/dbraw/zinc/35/09/67/639350967.db2.gz CHJOGTGGJYOHHH-UWVGGRQHSA-N -1 0 239.271 0.394 20 30 BCEDRM C#CC[C@@H](NC(=O)c1cn(C(C)C)cn1)C(=O)[O-] ZINC000910047956 639350981 /nfs/dbraw/zinc/35/09/81/639350981.db2.gz ATCBFJWWLFNZCX-SECBINFHSA-N -1 0 249.270 0.670 20 30 BCEDRM C#CC[C@H](NC(=O)[C@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000910048542 639351003 /nfs/dbraw/zinc/35/10/03/639351003.db2.gz MFBQNFWKRHKKJQ-DTWKUNHWSA-N -1 0 239.271 0.537 20 30 BCEDRM C#CC[C@@H](NC(=O)c1cnc(C2CC2)o1)C(=O)[O-] ZINC000910048021 639351138 /nfs/dbraw/zinc/35/11/38/639351138.db2.gz BSGGZRJBPKYSNR-MRVPVSSYSA-N -1 0 248.238 0.758 20 30 BCEDRM C#CC[C@@H](NC(=O)Cc1cnc(C)o1)C(=O)[O-] ZINC000910048199 639351412 /nfs/dbraw/zinc/35/14/12/639351412.db2.gz GRRDEEJVRZNUFT-SECBINFHSA-N -1 0 236.227 0.118 20 30 BCEDRM C#CC[C@H](NC(=O)[C@@H]1CCC(C)(C)O1)C(=O)[O-] ZINC000910048543 639351594 /nfs/dbraw/zinc/35/15/94/639351594.db2.gz MFBQNFWKRHKKJQ-IUCAKERBSA-N -1 0 239.271 0.537 20 30 BCEDRM C#CC[C@H](NC(=O)Cc1cnc(C)o1)C(=O)[O-] ZINC000910048200 639351713 /nfs/dbraw/zinc/35/17/13/639351713.db2.gz GRRDEEJVRZNUFT-VIFPVBQESA-N -1 0 236.227 0.118 20 30 BCEDRM C#CC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C(=O)[O-] ZINC000910049608 639352542 /nfs/dbraw/zinc/35/25/42/639352542.db2.gz YMBMQSBBAVCGCV-WCBMZHEXSA-N -1 0 249.270 0.181 20 30 BCEDRM C#CC[C@@H](NC(=O)C1(SC)CCC1)C(=O)[O-] ZINC000910050016 639352566 /nfs/dbraw/zinc/35/25/66/639352566.db2.gz BXIADFFSDHHIFG-MRVPVSSYSA-N -1 0 241.312 0.865 20 30 BCEDRM C#CC[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C(=O)[O-] ZINC000910049606 639352815 /nfs/dbraw/zinc/35/28/15/639352815.db2.gz YMBMQSBBAVCGCV-SCZZXKLOSA-N -1 0 249.270 0.181 20 30 BCEDRM C#CC[C@H](NC(=O)[C@](C)(O)CCC)C(=O)[O-] ZINC000910049234 639353191 /nfs/dbraw/zinc/35/31/91/639353191.db2.gz UESWOYSPEKIWBK-GZMMTYOYSA-N -1 0 227.260 0.130 20 30 BCEDRM C#CC[C@H](NC(=O)C1(C)CC=CC1)C(=O)[O-] ZINC000910049558 639353449 /nfs/dbraw/zinc/35/34/49/639353449.db2.gz XLNOSSMLCXIXAF-VIFPVBQESA-N -1 0 221.256 0.935 20 30 BCEDRM C=C[C@H](O)C(=O)N1CCC[C@@]1(CCC)C(=O)[O-] ZINC000910117649 639374077 /nfs/dbraw/zinc/37/40/77/639374077.db2.gz 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587223874 /nfs/dbraw/zinc/22/38/74/587223874.db2.gz LTHVXAGXBMIHRP-QMMMGPOBSA-N -1 0 243.284 0.648 20 30 BCEDRM C#CCOC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000823463313 587224097 /nfs/dbraw/zinc/22/40/97/587224097.db2.gz MMJGUDRRPSPPEQ-SECBINFHSA-N -1 0 215.180 0.255 20 30 BCEDRM C#CCOCCOC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000823462622 587224119 /nfs/dbraw/zinc/22/41/19/587224119.db2.gz FHDKKPNUEVYOCV-VIFPVBQESA-N -1 0 241.243 0.322 20 30 BCEDRM C=C(C)COC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000823480422 587225168 /nfs/dbraw/zinc/22/51/68/587225168.db2.gz BSLWFGAIAFVQHQ-MRVPVSSYSA-N -1 0 229.232 0.485 20 30 BCEDRM C=C(C)COCCNC(=O)[C@H](CC)NC(=O)[O-] ZINC000823480633 587225196 /nfs/dbraw/zinc/22/51/96/587225196.db2.gz JOPXXZHWFIDPLO-VIFPVBQESA-N -1 0 244.291 0.742 20 30 BCEDRM C=C[C@@H](C)NC(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000823486530 587226112 /nfs/dbraw/zinc/22/61/12/587226112.db2.gz YNJOTMWGCNLYTL-SFYZADRCSA-N -1 0 212.249 0.677 20 30 BCEDRM C=C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[O-] ZINC000823486241 587226160 /nfs/dbraw/zinc/22/61/60/587226160.db2.gz SDVUXLZVORTGFG-YUMQZZPRSA-N -1 0 212.249 0.820 20 30 BCEDRM C=C[C@H](C)NC(=O)[C@H](CC)NC(=O)[O-] ZINC000823490991 587226419 /nfs/dbraw/zinc/22/64/19/587226419.db2.gz OWKBKQKYCNQRTR-BQBZGAKWSA-N -1 0 200.238 0.723 20 30 BCEDRM C=C[C@@H](C)NC(=O)N1CCN(C(=O)[O-])C[C@H]1C ZINC000823491057 587226420 /nfs/dbraw/zinc/22/64/20/587226420.db2.gz QBCIFDMESNYGBD-RKDXNWHRSA-N -1 0 241.291 0.955 20 30 BCEDRM C=C[C@H](C)NC(=O)CN(CC)C(=O)[O-] ZINC000823490895 587226558 /nfs/dbraw/zinc/22/65/58/587226558.db2.gz NDMBQSVDVSLDSR-ZETCQYMHSA-N -1 0 200.238 0.677 20 30 BCEDRM C=CCNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000823506348 587228074 /nfs/dbraw/zinc/22/80/74/587228074.db2.gz GVPQXZGLQPDQCC-SNVBAGLBSA-N -1 0 212.249 0.679 20 30 BCEDRM C=CCNC(=O)C[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823506387 587228183 /nfs/dbraw/zinc/22/81/83/587228183.db2.gz HDWOVEZDLMOVSS-MRVPVSSYSA-N -1 0 228.248 0.058 20 30 BCEDRM CC#CCOC(=O)CC(C)(C)NC(=O)[O-] ZINC000823522258 587228914 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587234101 /nfs/dbraw/zinc/23/41/01/587234101.db2.gz HQMYOIFQMBRCKB-QMMMGPOBSA-N -1 0 239.275 0.843 20 30 BCEDRM C[C@@H](C#N)NC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000823647789 587234195 /nfs/dbraw/zinc/23/41/95/587234195.db2.gz NUIIZBVYRMTFJS-OIBJUYFYSA-N -1 0 225.248 0.405 20 30 BCEDRM C[C@@H](C#N)CNC(=O)CC1CN(C(=O)[O-])C1 ZINC000823648240 587234204 /nfs/dbraw/zinc/23/42/04/587234204.db2.gz RKMOZEUMQBKHOP-ZETCQYMHSA-N -1 0 225.248 0.262 20 30 BCEDRM C[C@@H](C#N)COC(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000823647406 587234226 /nfs/dbraw/zinc/23/42/26/587234226.db2.gz KVEOKDRSKOKAAW-JGVFFNPUSA-N -1 0 226.232 0.689 20 30 BCEDRM C[C@H](CN(C)C(=O)[O-])C(=O)NC[C@H](C)C#N ZINC000823648845 587234725 /nfs/dbraw/zinc/23/47/25/587234725.db2.gz XZICQWCLMSALRE-HTQZYQBOSA-N -1 0 227.264 0.508 20 30 BCEDRM C[C@@H](C#N)CN(C)C(=O)CC1CN(C(=O)[O-])C1 ZINC000823648653 587234777 /nfs/dbraw/zinc/23/47/77/587234777.db2.gz UWKJXEUVDURBJE-QMMMGPOBSA-N -1 0 239.275 0.604 20 30 BCEDRM C[C@@H](C#N)COC(=O)CCCNC(=O)[O-] ZINC000823648858 587234746 /nfs/dbraw/zinc/23/47/46/587234746.db2.gz YDEVQFVIWYZCNZ-ZETCQYMHSA-N -1 0 214.221 0.737 20 30 BCEDRM C[C@H](C#N)NC(=O)C(C)(C)CNC(=O)[O-] ZINC000823648864 587234750 /nfs/dbraw/zinc/23/47/50/587234750.db2.gz YFOIOEIDTZRVPN-ZCFIWIBFSA-N -1 0 213.237 0.308 20 30 BCEDRM C[C@@H](C#N)COC(=O)CCNC(=O)[O-] ZINC000823648482 587234754 /nfs/dbraw/zinc/23/47/54/587234754.db2.gz SWPMKNRPGXWGBD-LURJTMIESA-N -1 0 200.194 0.347 20 30 BCEDRM C[C@@H](C#N)COC(=O)CN(C)C(=O)[O-] ZINC000823648486 587234861 /nfs/dbraw/zinc/23/48/61/587234861.db2.gz TWMWETOGKZOLED-LURJTMIESA-N -1 0 200.194 0.299 20 30 BCEDRM C[C@@H](C#N)COC(=O)[C@@H]1CSCN1C(=O)[O-] ZINC000823648946 587234876 /nfs/dbraw/zinc/23/48/76/587234876.db2.gz ZVFVCXWJDKHBOC-BQBZGAKWSA-N -1 0 244.272 0.742 20 30 BCEDRM CC(C)(C#N)NC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000823737202 587238624 /nfs/dbraw/zinc/23/86/24/587238624.db2.gz FBIRYOSRZUQCPX-JGVFFNPUSA-N -1 0 239.275 0.841 20 30 BCEDRM C=CCCC(=O)Cn1ccnc1-c1nn[nH]n1 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BCEDRM C[C@@H](CN(C)C(=O)[O-])C(=O)N(C)[C@@H](C)CC#N ZINC000824825333 587289309 /nfs/dbraw/zinc/28/93/09/587289309.db2.gz RICQKOKRWXZWIL-IUCAKERBSA-N -1 0 241.291 0.993 20 30 BCEDRM C[C@H](CO)NN=C1CCN(C(=O)[O-])CC1 ZINC000824980214 587296258 /nfs/dbraw/zinc/29/62/58/587296258.db2.gz MNBFQUAUYKXYMD-SSDOTTSWSA-N -1 0 215.253 0.087 20 30 BCEDRM C[C@@H](CO)NN=C1CCC[C@@H]1CNC(=O)[O-] ZINC000824979536 587296401 /nfs/dbraw/zinc/29/64/01/587296401.db2.gz DEODMLTUMZMQQD-JGVFFNPUSA-N -1 0 229.280 0.381 20 30 BCEDRM C[C@@H](NC(=O)[O-])C(=O)Nc1cc(CC#N)ccn1 ZINC000825185142 587308587 /nfs/dbraw/zinc/30/85/87/587308587.db2.gz ACHCAHKEEGQINX-SSDOTTSWSA-N -1 0 248.242 0.742 20 30 BCEDRM C#CCOCCOC(=O)CCCNC(=O)[O-] ZINC000825625502 587327826 /nfs/dbraw/zinc/32/78/26/587327826.db2.gz HAPZQVCUBLTKTI-UHFFFAOYSA-N -1 0 229.232 0.227 20 30 BCEDRM C#CCOCCOC(=O)c1cccc(C(=O)[O-])n1 ZINC000825625596 587328235 /nfs/dbraw/zinc/32/82/35/587328235.db2.gz IVMOONNWTPUQPW-UHFFFAOYSA-N -1 0 249.222 0.586 20 30 BCEDRM 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587221990 /nfs/dbraw/zinc/22/19/90/587221990.db2.gz FMLFKOPSPZQDOW-LLVKDONJSA-N -1 0 242.250 0.608 20 30 BCEDRM C#C[C@H](C)OC(=O)[C@H](NC(=O)[O-])C(C)C ZINC000823440946 587222119 /nfs/dbraw/zinc/22/21/19/587222119.db2.gz NLAURWGHXKVSHV-JGVFFNPUSA-N -1 0 213.233 0.844 20 30 BCEDRM C#CCCCNC(=O)N(C)[C@H](C)CNC(=O)[O-] ZINC000823444063 587222157 /nfs/dbraw/zinc/22/21/57/587222157.db2.gz CSGGQACASKAQME-SECBINFHSA-N -1 0 241.291 0.697 20 30 BCEDRM C#C[C@H](C)OC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000823441123 587222172 /nfs/dbraw/zinc/22/21/72/587222172.db2.gz UTPYJJNPLQWBEE-IUCAKERBSA-N -1 0 241.243 0.320 20 30 BCEDRM C#C[C@@H](C)OC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000823440757 587222257 /nfs/dbraw/zinc/22/22/57/587222257.db2.gz HOOPHOJEPFPNLN-LDYMZIIASA-N -1 0 225.244 0.941 20 30 BCEDRM C#CCCCNC(=O)[C@@H](CCC)NC(=O)[O-] ZINC000823444386 587222488 /nfs/dbraw/zinc/22/24/88/587222488.db2.gz HSPXUHJGSBSXGA-SECBINFHSA-N -1 0 226.276 0.952 20 30 BCEDRM C#CCCCNC(=O)N[C@@H]1CCN(C(=O)[O-])C1 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C[C@H](CO)NN=Cc1ccccc1C(=O)[O-] ZINC000381040980 710598761 /nfs/dbraw/zinc/59/87/61/710598761.db2.gz CFOYQVVYQUVHPY-MRVPVSSYSA-N -1 0 222.244 0.689 20 30 BCEDRM CC[C@H](O)CNN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000382172687 710803704 /nfs/dbraw/zinc/80/37/04/710803704.db2.gz WVHDWRRSLFVXNT-QMMMGPOBSA-N -1 0 225.248 0.407 20 30 BCEDRM COc1cccc(C=NNCC(=O)[O-])c1O ZINC000382249130 711505648 /nfs/dbraw/zinc/50/56/48/711505648.db2.gz UQSNGCUFTBYUAN-UHFFFAOYSA-N -1 0 224.216 0.409 20 30 BCEDRM CC(=NNCC(=O)[O-])c1cn(C)nc1C ZINC000382383390 711572027 /nfs/dbraw/zinc/57/20/27/711572027.db2.gz KDLHXKBLXHVDIB-UHFFFAOYSA-N -1 0 210.237 0.127 20 30 BCEDRM CO[C@@]1(C)CC(=NNCC(=O)[O-])C1(C)C ZINC000382391594 711584051 /nfs/dbraw/zinc/58/40/51/711584051.db2.gz MHICXQXIQIYOJR-JTQLQIEISA-N -1 0 214.265 0.852 20 30 BCEDRM CC(C)(C)n1cc(C=NNCC(=O)[O-])nn1 ZINC000382274513 711592565 /nfs/dbraw/zinc/59/25/65/711592565.db2.gz CEOGPHMHZZPNDT-UHFFFAOYSA-N -1 0 225.252 0.041 20 30 BCEDRM CCO[C@H]1CC(=NNCC(=O)[O-])C12CCC2 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C#CCn1cc(CNC(=O)C(C)(C)C(=O)[O-])cn1 ZINC000911717245 711819613 /nfs/dbraw/zinc/81/96/13/711819613.db2.gz OXWKJXWQZJWTLT-UHFFFAOYSA-N -1 0 249.270 0.243 20 30 BCEDRM C#CCCCCNC(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000229755106 711839037 /nfs/dbraw/zinc/83/90/37/711839037.db2.gz MYOMNGZBOONSAS-JTQLQIEISA-N -1 0 238.287 0.952 20 30 BCEDRM N#CCCNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355548704 711918206 /nfs/dbraw/zinc/91/82/06/711918206.db2.gz SACAABCHGTXAOT-UHFFFAOYSA-N -1 0 235.199 0.944 20 30 BCEDRM CNC(=O)C(C#N)=C([O-])c1cccc(F)c1 ZINC000133197655 711981021 /nfs/dbraw/zinc/98/10/21/711981021.db2.gz OMVVLPBSWUPMQV-SECBINFHSA-N -1 0 220.203 0.894 20 30 BCEDRM C#CCO[N-]C(=O)Cc1csc(C)n1 ZINC000700567263 711996865 /nfs/dbraw/zinc/99/68/65/711996865.db2.gz KHDAVKURNDTMGP-UHFFFAOYSA-N -1 0 210.258 0.675 20 30 BCEDRM C#CCO[N-]C(=O)c1c(C)cc(C)[nH]c1=O ZINC000700577919 711997654 /nfs/dbraw/zinc/99/76/54/711997654.db2.gz HXADEDFGXCQSTE-UHFFFAOYSA-N -1 0 220.228 0.699 20 30 BCEDRM C#CC[C@@H](NC(=O)C1(OC)CCCC1)C(=O)[O-] ZINC000701334585 712020683 /nfs/dbraw/zinc/02/06/83/712020683.db2.gz ITOUEZBEPSZZBV-SECBINFHSA-N -1 0 239.271 0.538 20 30 BCEDRM CC#CCNC(=O)C1(C(=O)[O-])CCOCC1 ZINC000701864905 712030995 /nfs/dbraw/zinc/03/09/95/712030995.db2.gz VLVPDFGGMNUYBZ-UHFFFAOYSA-N -1 0 225.244 0.007 20 30 BCEDRM C=CC[C@H]1CCN(C(=O)COCC(=O)[O-])C1 ZINC000703694709 712083558 /nfs/dbraw/zinc/08/35/58/712083558.db2.gz ALVBKJDEXNYTFB-VIFPVBQESA-N -1 0 227.260 0.512 20 30 BCEDRM C=CCCS(=O)(=O)NC/C=C(\C)C(=O)[O-] ZINC000710620094 712263893 /nfs/dbraw/zinc/26/38/93/712263893.db2.gz KICVEYFPAJQFPG-VMPITWQZSA-N -1 0 233.289 0.513 20 30 BCEDRM C#C[C@@H](C)NS(=O)(=O)c1ccc(C)nn1 ZINC000711334496 712295005 /nfs/dbraw/zinc/29/50/05/712295005.db2.gz ZTRVSNXAGQPFMS-SSDOTTSWSA-N -1 0 225.273 0.085 20 30 BCEDRM COc1cc(C)nc(C=NNCC(=O)[O-])c1 ZINC000378663143 712356428 /nfs/dbraw/zinc/35/64/28/712356428.db2.gz CYSMEJNCYBCGRW-UHFFFAOYSA-N -1 0 223.232 0.407 20 30 BCEDRM C[C@@H](O)CNN=Cc1c[nH]c(C(=O)[O-])c1 ZINC000378673794 712357022 /nfs/dbraw/zinc/35/70/22/712357022.db2.gz MTXBFGGEGPBQCE-ZCFIWIBFSA-N -1 0 211.221 0.017 20 30 BCEDRM C=CCCSCCNC(=O)[C@H](OC)C(=O)[O-] ZINC000713261901 712457327 /nfs/dbraw/zinc/45/73/27/712457327.db2.gz ZRWUAFBPXMUDIQ-QMMMGPOBSA-N -1 0 247.316 0.512 20 30 BCEDRM O=[N+]([O-])c1cc(C=NNCCO)ccc1[O-] ZINC000714443024 712489143 /nfs/dbraw/zinc/48/91/43/712489143.db2.gz JXASUNWPTMAJCN-UHFFFAOYSA-N -1 0 225.204 0.216 20 30 BCEDRM C#CC[C@H](NC(=O)[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)C(=O)[O-] ZINC000716456901 712562525 /nfs/dbraw/zinc/56/25/25/712562525.db2.gz PMADQMNSBAGYJK-DAWVFNFOSA-N -1 0 235.283 0.871 20 30 BCEDRM C#CCO[N-]C(=O)CNC(=O)C1CCCCC1 ZINC000812784126 712586316 /nfs/dbraw/zinc/58/63/16/712586316.db2.gz WQMZOJUJFNIDJS-UHFFFAOYSA-N -1 0 238.287 0.364 20 30 BCEDRM C#CC[C@@H](CO)Nc1ccc(C(=O)[O-])c(C)n1 ZINC000717734292 712667988 /nfs/dbraw/zinc/66/79/88/712667988.db2.gz YGAHPNLCBDQARG-VIFPVBQESA-N -1 0 234.255 0.884 20 30 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BCEDRM N#Cc1ncn(Cc2ccc(C(=O)[O-])cc2)n1 ZINC000060060363 342888873 /nfs/dbraw/zinc/88/88/73/342888873.db2.gz WRQLHQDIOIHEIH-UHFFFAOYSA-N -1 0 228.211 0.896 20 30 BCEDRM C#CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000035720974 187208653 /nfs/dbraw/zinc/20/86/53/187208653.db2.gz WZSVNLXNQJPARB-DTWKUNHWSA-N -1 0 207.229 0.403 20 30 BCEDRM C=C(C)Cn1[n-]c(-c2cnn(C)c2)cc1=O ZINC000634603720 342996475 /nfs/dbraw/zinc/99/64/75/342996475.db2.gz HQRRIJBKYCKFBS-UHFFFAOYSA-N -1 0 218.260 0.933 20 30 BCEDRM C=CC[C@H](C)NC(=O)c1cnc([O-])n(C)c1=O ZINC000267583228 187235684 /nfs/dbraw/zinc/23/56/84/187235684.db2.gz JPCXNVGFCKRIKK-ZETCQYMHSA-N -1 0 237.259 0.180 20 30 BCEDRM C=C(C)COCCNC(=O)C1(C(=O)[O-])CCC1 ZINC000164178801 343207940 /nfs/dbraw/zinc/20/79/40/343207940.db2.gz FEHNKAGRFWNOQM-UHFFFAOYSA-N -1 0 241.287 0.950 20 30 BCEDRM C#CCO[N-]C(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000291323738 136288308 /nfs/dbraw/zinc/28/83/08/136288308.db2.gz TWJVTPOEBDPRHT-SSDOTTSWSA-N -1 0 238.209 0.550 20 30 BCEDRM CN(Cc1n[nH]c(=O)[n-]1)[C@H]1CCC[C@@H]1C#N ZINC000602980803 349846507 /nfs/dbraw/zinc/84/65/07/349846507.db2.gz VVTMDSFVOFDMAP-SFYZADRCSA-N -1 0 221.264 0.634 20 30 BCEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)NCC(=O)[O-] ZINC000584175460 343769108 /nfs/dbraw/zinc/76/91/08/343769108.db2.gz ZTFRPDNEDRBMBN-VXNVDRBHSA-N -1 0 213.233 0.168 20 30 BCEDRM C[C@@]1(C#N)CCN(C(=O)[C@@H](C(=O)[O-])C2CC2)C1 ZINC000595999407 537830314 /nfs/dbraw/zinc/83/03/14/537830314.db2.gz LDTAPJGFCJSAJJ-CABZTGNLSA-N -1 0 236.271 0.859 20 30 BCEDRM C=CCN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC000131073058 344227006 /nfs/dbraw/zinc/22/70/06/344227006.db2.gz OVSUKUZYYZTOGL-BDAKNGLRSA-N -1 0 209.245 0.884 20 30 BCEDRM C=CCN(C1CC1)S(=O)(=O)CCCC(=O)[O-] ZINC000131081606 344227837 /nfs/dbraw/zinc/22/78/37/344227837.db2.gz ZYWKGUFBGGTNNK-UHFFFAOYSA-N -1 0 247.316 0.831 20 30 BCEDRM C=CCCCNC(=O)C(=O)NCCCC(=O)[O-] ZINC000570803497 323070940 /nfs/dbraw/zinc/07/09/40/323070940.db2.gz VPURFUQBUNFKKN-UHFFFAOYSA-N -1 0 242.275 0.050 20 30 BCEDRM CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)COC2 ZINC000050204714 344656451 /nfs/dbraw/zinc/65/64/51/344656451.db2.gz PVIUCMNTMVLKDK-UHFFFAOYSA-N -1 0 241.268 0.981 20 30 BCEDRM COCCS(=O)(=O)N[C@H](C#N)C(C)(C)C ZINC000121787297 344937302 /nfs/dbraw/zinc/93/73/02/344937302.db2.gz XWOJGKHFSHJEMI-MRVPVSSYSA-N -1 0 234.321 0.490 20 30 BCEDRM C=CCNC(=O)C[C@]1(C(=O)[O-])CCSC1 ZINC000634851837 345011910 /nfs/dbraw/zinc/01/19/10/345011910.db2.gz ZLZJEAHQBHONLN-SNVBAGLBSA-N -1 0 229.301 0.887 20 30 BCEDRM C=C[C@@H]1OCC[C@H]1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000634840358 344991546 /nfs/dbraw/zinc/99/15/46/344991546.db2.gz JFNZPYNRSZIERX-AEJSXWLSSA-N -1 0 241.287 0.947 20 30 BCEDRM C=CCCO[C@H](C)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000123892021 345021002 /nfs/dbraw/zinc/02/10/02/345021002.db2.gz XZVMJIGGCVOEJP-BDAKNGLRSA-N -1 0 229.276 0.947 20 30 BCEDRM C=C(C)CNC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-] ZINC000634941360 345121346 /nfs/dbraw/zinc/12/13/46/345121346.db2.gz ZYWMDYQSBZCFGZ-SFYZADRCSA-N -1 0 215.249 0.557 20 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20 30 BCEDRM C#CCO[C@H](C)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000908660535 639041001 /nfs/dbraw/zinc/04/10/01/639041001.db2.gz MQNYYSDLNWDUDM-ZJUUUORDSA-N -1 0 239.271 0.490 20 30 BCEDRM C=C[C@@](C)(O)C(=O)N(CC)CCC(=O)[O-] ZINC000908857470 639085735 /nfs/dbraw/zinc/08/57/35/639085735.db2.gz AAZWMCOCMYMLJO-SNVBAGLBSA-N -1 0 215.249 0.247 20 30 BCEDRM C#Cc1cncc(C(=O)N(CC)CCC(=O)[O-])c1 ZINC000908859805 639085987 /nfs/dbraw/zinc/08/59/87/639085987.db2.gz RHSSYOOSRZCMIO-UHFFFAOYSA-N -1 0 246.266 1.000 20 30 BCEDRM C=C[C@](C)(O)C(=O)N(CC)CCC(=O)[O-] ZINC000908857468 639086451 /nfs/dbraw/zinc/08/64/51/639086451.db2.gz AAZWMCOCMYMLJO-JTQLQIEISA-N -1 0 215.249 0.247 20 30 BCEDRM C=C[C@H](O)C(=O)NC(C)(C)CCC(=O)[O-] ZINC000908946714 639097584 /nfs/dbraw/zinc/09/75/84/639097584.db2.gz OSMSHUHUHAMMDX-ZETCQYMHSA-N -1 0 215.249 0.293 20 30 BCEDRM C#CCO[C@@H](C)C(=O)N(CCC)CC(=O)[O-] ZINC000908950479 639101602 /nfs/dbraw/zinc/10/16/02/639101602.db2.gz UULNKBXCUUVPKE-VIFPVBQESA-N -1 0 227.260 0.348 20 30 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CC#CCCNC(=O)N[C@H](CCF)C(=O)[O-] ZINC000909031501 639121199 /nfs/dbraw/zinc/12/11/99/639121199.db2.gz KRHYFTDWRVMPMH-MRVPVSSYSA-N -1 0 230.239 0.512 20 30 BCEDRM C#CCCCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000909058353 639135203 /nfs/dbraw/zinc/13/52/03/639135203.db2.gz NRUIMMGZXVRYAK-VIFPVBQESA-N -1 0 225.244 0.102 20 30 BCEDRM C#CCO[C@@H](C)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000909120406 639149367 /nfs/dbraw/zinc/14/93/67/639149367.db2.gz WCINUJLNXAGDMC-YUMQZZPRSA-N -1 0 213.233 0.004 20 30 BCEDRM C#CCO[C@H](C)C(=O)N[C@@H](CC)C(=O)[O-] ZINC000909120405 639149758 /nfs/dbraw/zinc/14/97/58/639149758.db2.gz WCINUJLNXAGDMC-SFYZADRCSA-N -1 0 213.233 0.004 20 30 BCEDRM C=CCCCNC(=O)N[C@@H](CF)C(=O)[O-] ZINC000909123524 639151702 /nfs/dbraw/zinc/15/17/02/639151702.db2.gz WBZORPVWZIFUDX-ZETCQYMHSA-N -1 0 218.228 0.675 20 30 BCEDRM C#CCO[C@H](C)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000909145061 639161224 /nfs/dbraw/zinc/16/12/24/639161224.db2.gz CNFFNYLLSMOFFM-RKDXNWHRSA-N -1 0 227.260 0.204 20 30 BCEDRM C#CCO[C@H](C)C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000909145059 639161252 /nfs/dbraw/zinc/16/12/52/639161252.db2.gz CNFFNYLLSMOFFM-DTWKUNHWSA-N -1 0 227.260 0.204 20 30 BCEDRM C=C(C)C(C)(C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000909216633 639169376 /nfs/dbraw/zinc/16/93/76/639169376.db2.gz HEXNKQBPVOTIJT-VIFPVBQESA-N -1 0 241.287 0.901 20 30 BCEDRM C=C[C@](C)(O)C(=O)NCC1(C(=O)[O-])CCC1 ZINC000909277534 639193811 /nfs/dbraw/zinc/19/38/11/639193811.db2.gz XJYAGTIFLKDQGV-JTQLQIEISA-N -1 0 227.260 0.295 20 30 BCEDRM C=CCO[N-]C(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC000909283045 639196198 /nfs/dbraw/zinc/19/61/98/639196198.db2.gz PNLAOAHAKRSHFD-LLVKDONJSA-N -1 0 247.254 0.808 20 30 BCEDRM C#CCO[C@H](C)C(=O)N(CC(=O)[O-])[C@@H](C)CC ZINC000909312681 639205911 /nfs/dbraw/zinc/20/59/11/639205911.db2.gz SFDUXFKDNOCPLN-VHSXEESVSA-N -1 0 241.287 0.736 20 30 BCEDRM C=CCC[C@@H](NC(=O)[C@H](CC)CO)C(=O)[O-] ZINC000909712063 639207521 /nfs/dbraw/zinc/20/75/21/639207521.db2.gz GLYPXXGOGZZPIB-RKDXNWHRSA-N -1 0 229.276 0.541 20 30 BCEDRM C=CCOCC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000909715767 639208620 /nfs/dbraw/zinc/20/86/20/639208620.db2.gz VHWBMMOPHSUKOZ-BDAKNGLRSA-N -1 0 227.260 0.559 20 30 BCEDRM C=C[C@@H](O)C(=O)N[C@](C)(CC(=O)[O-])C(C)C ZINC000909689368 639208809 /nfs/dbraw/zinc/20/88/09/639208809.db2.gz TZRNPSGGPFVOMC-LDYMZIIASA-N -1 0 229.276 0.539 20 30 BCEDRM C=CCC[C@@H](NC(=O)Cc1c[nH]cn1)C(=O)[O-] ZINC000909718471 639211607 /nfs/dbraw/zinc/21/16/07/639211607.db2.gz OKBZDVVIGQMHRE-SECBINFHSA-N -1 0 237.259 0.488 20 30 BCEDRM C#CCO[C@H](C)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000909750800 639219793 /nfs/dbraw/zinc/21/97/93/639219793.db2.gz GKAJIXYKTYKIAQ-SECBINFHSA-N -1 0 241.287 0.642 20 30 BCEDRM C=CCOCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000909798777 639220634 /nfs/dbraw/zinc/22/06/34/639220634.db2.gz JLVYZBJDGLTHEP-IUCAKERBSA-N -1 0 227.260 0.511 20 30 BCEDRM C#CCO[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000909811636 639228835 /nfs/dbraw/zinc/22/88/35/639228835.db2.gz 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587223181 /nfs/dbraw/zinc/22/31/81/587223181.db2.gz VPTUHNIZKKIDOH-UHFFFAOYSA-N -1 0 248.282 0.662 20 30 BCEDRM C#CCNC(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000823456134 587223289 /nfs/dbraw/zinc/22/32/89/587223289.db2.gz KMSVCZDPBNGJPU-UHFFFAOYSA-N -1 0 239.275 0.403 20 30 BCEDRM C#CCNC(=O)N1CC[C@@H](NC(=O)[O-])C[C@H]1C ZINC000823456166 587223302 /nfs/dbraw/zinc/22/33/02/587223302.db2.gz LCRQJKGWAQACDT-RKDXNWHRSA-N -1 0 239.275 0.450 20 30 BCEDRM C#CCNC(=O)[C@]1(C)CCN(C(=O)[O-])C1 ZINC000823456941 587223319 /nfs/dbraw/zinc/22/33/19/587223319.db2.gz SKJQZYIBJCLQBM-SNVBAGLBSA-N -1 0 210.233 0.126 20 30 BCEDRM C#CCNC(=O)N[C@H](CCCC)CNC(=O)[O-] ZINC000823457325 587223379 /nfs/dbraw/zinc/22/33/79/587223379.db2.gz YDPMZVCIFFYBQF-SECBINFHSA-N -1 0 241.291 0.745 20 30 BCEDRM C#CCNC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000823455517 587223385 /nfs/dbraw/zinc/22/33/85/587223385.db2.gz DIRBLFMRTDBRFQ-MRVPVSSYSA-N -1 0 225.248 0.013 20 30 BCEDRM C#CCOC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000823463401 587223755 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ZINC000823491089 587226441 /nfs/dbraw/zinc/22/64/41/587226441.db2.gz QIJOWOHYEHLGHP-DTWKUNHWSA-N -1 0 242.275 0.446 20 30 BCEDRM C=CC[C@@H](C)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000823491624 587226495 /nfs/dbraw/zinc/22/64/95/587226495.db2.gz ZBNPTOPSMHRSMN-MRVPVSSYSA-N -1 0 242.275 0.446 20 30 BCEDRM C=C[C@H](C)NC(=O)COC1CN(C(=O)[O-])C1 ZINC000823491382 587226596 /nfs/dbraw/zinc/22/65/96/587226596.db2.gz VIJVOOKTTZUWGI-ZETCQYMHSA-N -1 0 228.248 0.056 20 30 BCEDRM C=C[C@@H](C)NC(=O)NCC(C)(C)NC(=O)[O-] ZINC000823490861 587226624 /nfs/dbraw/zinc/22/66/24/587226624.db2.gz MOBIWPGGZNLQNH-SSDOTTSWSA-N -1 0 229.280 0.906 20 30 BCEDRM C=C[C@@H](C)NC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000823490724 587226724 /nfs/dbraw/zinc/22/67/24/587226724.db2.gz KHPVRRJXFSNSFP-BDAKNGLRSA-N -1 0 241.291 0.955 20 30 BCEDRM C=C[C@@H](C)NC(=O)CN(CCOC)C(=O)[O-] ZINC000823490859 587226732 /nfs/dbraw/zinc/22/67/32/587226732.db2.gz MMVJBSUMVGCYIB-MRVPVSSYSA-N -1 0 230.264 0.304 20 30 BCEDRM C=CCCOC(=O)[C@H]1COCCN1C(=O)[O-] ZINC000823496443 587226891 /nfs/dbraw/zinc/22/68/91/587226891.db2.gz JNQGEBSUNVKKSY-MRVPVSSYSA-N -1 0 229.232 0.485 20 30 BCEDRM C=CCCOC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000823496560 587227008 /nfs/dbraw/zinc/22/70/08/587227008.db2.gz LMLMWGXQRNFWRE-MRVPVSSYSA-N -1 0 229.232 0.485 20 30 BCEDRM C=CCCS(=O)(=O)NCCN(C)C(=O)[O-] ZINC000823500415 587227418 /nfs/dbraw/zinc/22/74/18/587227418.db2.gz FJWVBMJAFPJGMC-UHFFFAOYSA-N -1 0 236.293 0.092 20 30 BCEDRM C=CCN(CC=C)C(=O)NC1CN(C(=O)[O-])C1 ZINC000823500230 587227603 /nfs/dbraw/zinc/22/76/03/587227603.db2.gz CUKUTZZJWMSLQE-UHFFFAOYSA-N -1 0 239.275 0.732 20 30 BCEDRM C=CCN1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000823507152 587228058 /nfs/dbraw/zinc/22/80/58/587228058.db2.gz TYXPGTZZAYENEM-DTWKUNHWSA-N -1 0 214.265 0.529 20 30 BCEDRM C=CCNC(=O)CN1CCC[C@H]1CNC(=O)[O-] ZINC000823507141 587228130 /nfs/dbraw/zinc/22/81/30/587228130.db2.gz SXUTWPKPCHJADA-VIFPVBQESA-N -1 0 241.291 0.021 20 30 BCEDRM C=CCNC(=O)CC1(NC(=O)[O-])CCC1 ZINC000823506209 587228214 /nfs/dbraw/zinc/22/82/14/587228214.db2.gz DDRAXAMVFMHPNU-UHFFFAOYSA-N -1 0 212.249 0.869 20 30 BCEDRM C=CCCS(=O)(=O)NCCCNC(=O)[O-] ZINC000823501477 587228307 /nfs/dbraw/zinc/22/83/07/587228307.db2.gz XLUILPTWCHUXLH-UHFFFAOYSA-N -1 0 236.293 0.140 20 30 BCEDRM C=CCOC(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000823516149 587228953 /nfs/dbraw/zinc/22/89/53/587228953.db2.gz AWIQPITZMDIGOL-SECBINFHSA-N -1 0 243.259 0.875 20 30 BCEDRM C=CCOC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000823516515 587228976 /nfs/dbraw/zinc/22/89/76/587228976.db2.gz NBXCLTMDLMBQOP-QMMMGPOBSA-N -1 0 229.232 0.485 20 30 BCEDRM CC(=NN=C1CN(C(=O)[O-])C1)c1cnccn1 ZINC000823527152 587229418 /nfs/dbraw/zinc/22/94/18/587229418.db2.gz HPYBRLICNDZDPB-UHFFFAOYSA-N -1 0 233.231 0.635 20 30 BCEDRM C[C@H](C#N)OC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000823646511 587234043 /nfs/dbraw/zinc/23/40/43/587234043.db2.gz CUQRNPYDEHUKNQ-HZGVNTEJSA-N -1 0 230.195 0.534 20 30 BCEDRM C[C@H](C#N)NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000823646495 587234062 /nfs/dbraw/zinc/23/40/62/587234062.db2.gz CQEYNFQEYRFRME-PRJMDXOYSA-N -1 0 225.248 0.451 20 30 BCEDRM C[C@H](C#N)OC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000823647098 587234099 /nfs/dbraw/zinc/23/40/99/587234099.db2.gz IUQBNWNFUYMLDO-PRJMDXOYSA-N -1 0 226.232 0.878 20 30 BCEDRM C[C@H](C#N)CNC(=O)C[C@H]1CCCN1C(=O)[O-] ZINC000823646679 587234112 /nfs/dbraw/zinc/23/41/12/587234112.db2.gz FENOOYRVFYTWEQ-RKDXNWHRSA-N -1 0 239.275 0.795 20 30 BCEDRM C[C@@H](C#N)COC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000823646433 587234202 /nfs/dbraw/zinc/23/42/02/587234202.db2.gz BUIAKUAJYVSKQX-OIBJUYFYSA-N -1 0 244.222 0.781 20 30 BCEDRM C[C@@H](C#N)NC(=O)C1(CNC(=O)[O-])CCCC1 ZINC000823648268 587234169 /nfs/dbraw/zinc/23/41/69/587234169.db2.gz RVEIXFBSANBPFH-QMMMGPOBSA-N -1 0 239.275 0.843 20 30 BCEDRM C[C@H](C#N)C(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000823648005 587234177 /nfs/dbraw/zinc/23/41/77/587234177.db2.gz PEYYZOGFVIUEKO-SFYZADRCSA-N -1 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/nfs/dbraw/zinc/13/83/94/637138394.db2.gz KPGJOBWGEQSUHY-UHFFFAOYSA-N -1 0 242.256 0.050 20 30 BCEDRM Cc1ccc(C#N)nc1N1CCO[C@@H](C(=O)[O-])C1 ZINC000900945803 637206378 /nfs/dbraw/zinc/20/63/78/637206378.db2.gz PVTKTXHEXMIBQL-SNVBAGLBSA-N -1 0 247.254 0.552 20 30 BCEDRM Cc1cc(C#N)nc(N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000900946683 637207207 /nfs/dbraw/zinc/20/72/07/637207207.db2.gz RWEARPCXTITOLO-SNVBAGLBSA-N -1 0 247.254 0.552 20 30 BCEDRM COCCOCc1cc(=O)n([C@@H](C)CC#N)[n-]1 ZINC000905020097 637545681 /nfs/dbraw/zinc/54/56/81/637545681.db2.gz YHWVHVJYHYVFSB-VIFPVBQESA-N -1 0 239.275 0.540 20 30 BCEDRM CC[C@@H](NN=Cc1cnn(CCF)c1)C(=O)[O-] ZINC000905469666 637829456 /nfs/dbraw/zinc/82/94/56/637829456.db2.gz IXYFMZVBLNHDEU-SECBINFHSA-N -1 0 242.254 0.639 20 30 BCEDRM C=C[C@@H](CC)CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000907579371 638409508 /nfs/dbraw/zinc/40/95/08/638409508.db2.gz PXJXZSUEPVEJQM-UWVGGRQHSA-N -1 0 241.287 0.901 20 30 BCEDRM C=C[C@](C)(O)C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000907584078 638412076 /nfs/dbraw/zinc/41/20/76/638412076.db2.gz GBLJUUDLQOJMGQ-KWQFWETISA-N -1 0 227.260 0.293 20 30 BCEDRM C=C[C@H](CC)CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000907588428 638412583 /nfs/dbraw/zinc/41/25/83/638412583.db2.gz KTTOWCHMLRBXIE-NXEZZACHSA-N -1 0 241.287 0.901 20 30 BCEDRM C=C[C@H](CC)CC(=O)NCCOCC(=O)[O-] ZINC000907644298 638430745 /nfs/dbraw/zinc/43/07/45/638430745.db2.gz MZZBHCFKMNVHLY-SECBINFHSA-N -1 0 229.276 0.806 20 30 BCEDRM C#C[C@@H](CCC)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000907841161 638492574 /nfs/dbraw/zinc/49/25/74/638492574.db2.gz HSABTRSQFDUWLR-DJLDLDEBSA-N -1 0 209.245 0.625 20 30 BCEDRM C#C[C@@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@@H]1CCCO1 ZINC000907842626 638494783 /nfs/dbraw/zinc/49/47/83/638494783.db2.gz QIKHQPVMYBFCQE-KYXWUPHJSA-N -1 0 237.255 0.004 20 30 BCEDRM C#CCO[C@H](C)C(=O)N[C@H](CCC)C(=O)[O-] ZINC000908016824 638548696 /nfs/dbraw/zinc/54/86/96/638548696.db2.gz YXMBQQGKZUKWFM-RKDXNWHRSA-N -1 0 227.260 0.394 20 30 BCEDRM C#CCO[C@@H](C)C(=O)N[C@H](CCC)C(=O)[O-] ZINC000908016823 638549096 /nfs/dbraw/zinc/54/90/96/638549096.db2.gz YXMBQQGKZUKWFM-DTWKUNHWSA-N -1 0 227.260 0.394 20 30 BCEDRM C=C[C@H](O)C(=O)N[C@@H]1CC[C@H](CC(=O)[O-])C1 ZINC000908378502 638675075 /nfs/dbraw/zinc/67/50/75/638675075.db2.gz FDCDNWSVHMUFJC-YIZRAAEISA-N -1 0 227.260 0.293 20 30 BCEDRM C[C@@H](CC(=O)[O-])NC(=O)[C@]1(C#N)CCCOC1 ZINC000908492759 638744718 /nfs/dbraw/zinc/74/47/18/638744718.db2.gz CRQPYXMWUJZKIK-KWQFWETISA-N -1 0 240.259 0.286 20 30 BCEDRM C#CCO[C@@H](C)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000908597915 639023519 /nfs/dbraw/zinc/02/35/19/639023519.db2.gz KWOUXQWMVMWBCI-VHSXEESVSA-N -1 0 239.271 0.348 20 30 BCEDRM C#CCO[C@@H](C)C(=O)N(C)CCCC(=O)[O-] ZINC000908640200 639034687 /nfs/dbraw/zinc/03/46/87/639034687.db2.gz XDOBMHUNYRXJFV-VIFPVBQESA-N -1 0 227.260 0.348 20 30 BCEDRM C#CCO[C@H](C)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000908660532 639041130 /nfs/dbraw/zinc/04/11/30/639041130.db2.gz MQNYYSDLNWDUDM-NXEZZACHSA-N -1 0 239.271 0.490 20 30 BCEDRM C#CCO[C@H](C)C(=O)N(CCC)CC(=O)[O-] ZINC000908950478 639101315 /nfs/dbraw/zinc/10/13/15/639101315.db2.gz UULNKBXCUUVPKE-SECBINFHSA-N -1 0 227.260 0.348 20 30 BCEDRM C#CCO[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000908969078 639107033 /nfs/dbraw/zinc/10/70/33/639107033.db2.gz QYCCQLGBJPCHRW-DTWKUNHWSA-N -1 0 241.287 0.640 20 30 BCEDRM C#CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000909040610 639123441 /nfs/dbraw/zinc/12/34/41/639123441.db2.gz ONWDTFFGRGSHGA-VXNVDRBHSA-N -1 0 225.244 0.004 20 30 BCEDRM C#CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000909040609 639123468 /nfs/dbraw/zinc/12/34/68/639123468.db2.gz ONWDTFFGRGSHGA-IONNQARKSA-N -1 0 225.244 0.004 20 30 BCEDRM C=CC(C)(C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000909217618 639169393 /nfs/dbraw/zinc/16/93/93/639169393.db2.gz OZYNMNZESSYXIS-MRVPVSSYSA-N -1 0 227.260 0.511 20 30 BCEDRM C=C[C@@](C)(O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000909290396 639190046 /nfs/dbraw/zinc/19/00/46/639190046.db2.gz AJQAUKOJZZAMNZ-BXKDBHETSA-N -1 0 243.303 0.787 20 30 BCEDRM C=C[C@@](C)(O)C(=O)NCC(C)(C)C(=O)[O-] ZINC000909277448 639194375 /nfs/dbraw/zinc/19/43/75/639194375.db2.gz XMRWWAMPBKWSPG-SNVBAGLBSA-N -1 0 215.249 0.150 20 30 BCEDRM C=CCO[N-]C(=O)CN(CC)C(=O)C=C ZINC000909285892 639195611 /nfs/dbraw/zinc/19/56/11/639195611.db2.gz PSFBVHPIKSSSFW-UHFFFAOYSA-N -1 0 212.249 0.255 20 30 BCEDRM C=CCO[N-]C(=O)[C@H](O)c1ccccc1OC ZINC000909283063 639196003 /nfs/dbraw/zinc/19/60/03/639196003.db2.gz QJIXOPDXZJNZFS-LLVKDONJSA-N -1 0 237.255 0.962 20 30 BCEDRM C=CCO[N-]C(=O)CONC(=O)OC(C)(C)C ZINC000909283453 639196010 /nfs/dbraw/zinc/19/60/10/639196010.db2.gz ZHSINRVPSAKEOO-UHFFFAOYSA-N -1 0 246.263 0.677 20 30 BCEDRM C=CCO[N-]C(=O)[C@@H]1CCCC(=O)N1C ZINC000909282358 639196119 /nfs/dbraw/zinc/19/61/19/639196119.db2.gz HCPNASLKDJDSTL-QMMMGPOBSA-N -1 0 212.249 0.231 20 30 BCEDRM C=CCC[C@H](NC(=O)[C@@H](O)C1CCC1)C(=O)[O-] ZINC000909714149 639206421 /nfs/dbraw/zinc/20/64/21/639206421.db2.gz UGXMAAUGWLKMCK-UWVGGRQHSA-N -1 0 241.287 0.683 20 30 BCEDRM C=CCC[C@@H](NC(=O)C1(COC)CC1)C(=O)[O-] ZINC000909713862 639206471 /nfs/dbraw/zinc/20/64/71/639206471.db2.gz SYVHXLLZGVEYKT-SECBINFHSA-N -1 0 241.287 0.949 20 30 BCEDRM C=CCC[C@@H](NC(=O)[C@@H](CC)CO)C(=O)[O-] ZINC000909712061 639206586 /nfs/dbraw/zinc/20/65/86/639206586.db2.gz GLYPXXGOGZZPIB-DTWKUNHWSA-N -1 0 229.276 0.541 20 30 BCEDRM C=CCC[C@@H](NC(=O)[C@@H](O)C1CCC1)C(=O)[O-] ZINC000909714151 639207298 /nfs/dbraw/zinc/20/72/98/639207298.db2.gz UGXMAAUGWLKMCK-ZJUUUORDSA-N -1 0 241.287 0.683 20 30 BCEDRM C#CCO[C@@H](C)C(=O)N[C@H](CCC=C)C(=O)[O-] ZINC000909714723 639207645 /nfs/dbraw/zinc/20/76/45/639207645.db2.gz HQQCJQMCJDMRLL-VHSXEESVSA-N -1 0 239.271 0.560 20 30 BCEDRM C=CCC[C@@H](NC(=O)C1=CCOCC1)C(=O)[O-] ZINC000909715171 639208313 /nfs/dbraw/zinc/20/83/13/639208313.db2.gz JZKHWENDOYUUQQ-SNVBAGLBSA-N -1 0 239.271 0.869 20 30 BCEDRM C=CCC[C@@H](NC(=O)c1ncc[nH]1)C(=O)[O-] ZINC000909717236 639210106 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C#CC[C@@H](NC(=O)[C@@H](CC(C)C)OC)C(=O)[O-] ZINC000910051063 639337750 /nfs/dbraw/zinc/33/77/50/639337750.db2.gz RLAMAOAGDVYHNT-NXEZZACHSA-N -1 0 241.287 0.640 20 30 BCEDRM C#CC[C@H](NC(=O)[C@@]1(C)CCCCO1)C(=O)[O-] ZINC000910052232 639338714 /nfs/dbraw/zinc/33/87/14/639338714.db2.gz PMZOUXMBDRUPDG-JOYOIKCWSA-N -1 0 239.271 0.538 20 30 BCEDRM C#CC[C@@H](NC(=O)COCC1CC1)C(=O)[O-] ZINC000910052537 639339251 /nfs/dbraw/zinc/33/92/51/639339251.db2.gz AOQJTBVVTBMUDA-SECBINFHSA-N -1 0 225.244 0.006 20 30 BCEDRM C#CC[C@H](NC(=O)/C=C(\C)CC)C(=O)[O-] ZINC000910051743 639339318 /nfs/dbraw/zinc/33/93/18/639339318.db2.gz ZSZREYPIFNOVDQ-FLOXNTQESA-N -1 0 209.245 0.935 20 30 BCEDRM C#CC[C@H](NC(=O)CCn1cc(C)cn1)C(=O)[O-] ZINC000910051787 639339879 /nfs/dbraw/zinc/33/98/79/639339879.db2.gz HLXBKBZRRBHEJS-JTQLQIEISA-N -1 0 249.270 0.174 20 30 BCEDRM C#CC[C@H](NC(=O)/C=C\C1CC1)C(=O)[O-] ZINC000910055109 639340447 /nfs/dbraw/zinc/34/04/47/639340447.db2.gz XOYPIAONRDBSLC-NMTCXDENSA-N -1 0 207.229 0.545 20 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BCEDRM C#CCCCNC(=O)[C@@H]1CCC[C@H]1NC(=O)[O-] ZINC000823445215 587222540 /nfs/dbraw/zinc/22/25/40/587222540.db2.gz WCFFUGXRFLLPLO-NXEZZACHSA-N -1 0 238.287 0.952 20 30 BCEDRM C#CCCNC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000823444382 587222545 /nfs/dbraw/zinc/22/25/45/587222545.db2.gz HMRDZGGHKCIRFF-QMMMGPOBSA-N -1 0 212.249 0.372 20 30 BCEDRM C#CCCOC(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000823445025 587222570 /nfs/dbraw/zinc/22/25/70/587222570.db2.gz UPQCNNJOMSHUSZ-QMMMGPOBSA-N -1 0 213.233 0.799 20 30 BCEDRM C#CCN(CC)C(=O)[C@@H](C)CN(C)C(=O)[O-] ZINC000823451177 587222867 /nfs/dbraw/zinc/22/28/67/587222867.db2.gz PAYNMCRPAYXLAP-VIFPVBQESA-N -1 0 226.276 0.714 20 30 BCEDRM C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000823450777 587223173 /nfs/dbraw/zinc/22/31/73/587223173.db2.gz IYJCMYLTPIAAKY-VHSXEESVSA-N -1 0 210.277 0.988 20 30 BCEDRM C#CCNC(=O)N1CCC[C@H]1CNC(=O)[O-] ZINC000823455298 587223283 /nfs/dbraw/zinc/22/32/83/587223283.db2.gz BZUSLMHHIIMDNM-QMMMGPOBSA-N -1 0 225.248 0.061 20 30 BCEDRM C#CCNC(=O)CN(C(=O)[O-])c1ccccc1 ZINC000823457179 587223296 /nfs/dbraw/zinc/22/32/96/587223296.db2.gz WCZGOJZGOCTXIF-UHFFFAOYSA-N -1 0 232.239 0.920 20 30 BCEDRM C#CCNC(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000823455617 587223325 /nfs/dbraw/zinc/22/33/25/587223325.db2.gz FMOCGMFLQDWUPL-QMMMGPOBSA-N -1 0 242.300 0.221 20 30 BCEDRM C#CCNC(=O)COc1ccc(NC(=O)[O-])cc1 ZINC000823455217 587223404 /nfs/dbraw/zinc/22/34/04/587223404.db2.gz AXFDYUPJWAIKMO-UHFFFAOYSA-N -1 0 248.238 0.905 20 30 BCEDRM C#CCNC(=O)N1CC[C@H](NC(=O)[O-])C[C@H]1C ZINC000823456163 587223425 /nfs/dbraw/zinc/22/34/25/587223425.db2.gz LCRQJKGWAQACDT-BDAKNGLRSA-N -1 0 239.275 0.450 20 30 BCEDRM C#CCNC(=O)NC(CC)(CC)CNC(=O)[O-] ZINC000823455918 587223507 /nfs/dbraw/zinc/22/35/07/587223507.db2.gz HXAHICLVRHCAFD-UHFFFAOYSA-N -1 0 241.291 0.745 20 30 BCEDRM C#CCNC(=O)N[C@@H](CNC(=O)[O-])CC(C)C ZINC000823456150 587223587 /nfs/dbraw/zinc/22/35/87/587223587.db2.gz LBBLVKJYINHDKH-SECBINFHSA-N -1 0 241.291 0.601 20 30 BCEDRM C#CCOC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000823462442 587223862 /nfs/dbraw/zinc/22/38/62/587223862.db2.gz AYTUPKHHOVDBJJ-SFYZADRCSA-N -1 0 211.217 0.599 20 30 BCEDRM C#CCOCCOC(=O)[C@H]1CCCN1C(=O)[O-] ZINC000823462621 587223891 /nfs/dbraw/zinc/22/38/91/587223891.db2.gz FHDKKPNUEVYOCV-SECBINFHSA-N -1 0 241.243 0.322 20 30 BCEDRM C#CCSCCNC(=O)C1(NC(=O)[O-])CC1 ZINC000823467520 587224417 /nfs/dbraw/zinc/22/44/17/587224417.db2.gz YSIWCWMTMWLKOR-UHFFFAOYSA-N -1 0 242.300 0.269 20 30 BCEDRM C=C(C)CN1CCN(C(=O)[O-])C[C@H]1C#N ZINC000823480843 587224790 /nfs/dbraw/zinc/22/47/90/587224790.db2.gz PTIJVFQJKYVTDZ-SECBINFHSA-N -1 0 209.249 0.750 20 30 BCEDRM C=C(C)COCCNC(=O)[C@H](C)NC(=O)[O-] ZINC000823480644 587225012 /nfs/dbraw/zinc/22/50/12/587225012.db2.gz JWOJSZQQIPNGOG-QMMMGPOBSA-N -1 0 230.264 0.351 20 30 BCEDRM C=C(Cl)COC(=O)[C@@H]1COCCN1C(=O)[O-] ZINC000823485507 587225524 /nfs/dbraw/zinc/22/55/24/587225524.db2.gz GMQQLXCBXOWXQI-ZETCQYMHSA-N -1 0 249.650 0.661 20 30 BCEDRM C=C1CCN(C(=O)C2(NC(=O)[O-])CC2)CC1 ZINC000823485979 587225548 /nfs/dbraw/zinc/22/55/48/587225548.db2.gz MTSLJSOXBMMKDF-UHFFFAOYSA-N -1 0 224.260 0.965 20 30 BCEDRM C=C[C@@H](C)NC(=O)[C@@H]1CN(C(=O)[O-])CCO1 ZINC000823485500 587225600 /nfs/dbraw/zinc/22/56/00/587225600.db2.gz GJXRYSYBUYPQCX-SFYZADRCSA-N -1 0 228.248 0.056 20 30 BCEDRM C=C[C@@H](C)NC(=O)CCCNC(=O)[O-] ZINC000823485990 587225760 /nfs/dbraw/zinc/22/57/60/587225760.db2.gz MUYSVNLBOQJGDX-SSDOTTSWSA-N -1 0 200.238 0.725 20 30 BCEDRM C=C[C@H](C)NC(=O)N1CCCN(C(=O)[O-])CC1 ZINC000823490572 587226005 /nfs/dbraw/zinc/22/60/05/587226005.db2.gz GOVGGJYMRZEVDN-VIFPVBQESA-N -1 0 241.291 0.956 20 30 BCEDRM C=C[C@H](C)NC(=O)N(C)CCCNC(=O)[O-] ZINC000823491657 587226174 /nfs/dbraw/zinc/22/61/74/587226174.db2.gz ZSDWFXAVYMQDGS-QMMMGPOBSA-N -1 0 229.280 0.860 20 30 BCEDRM C=C(Cl)CNC(=O)[C@H]1CN(C(=O)[O-])CCO1 ZINC000823486232 587226310 /nfs/dbraw/zinc/22/63/10/587226310.db2.gz SBVOKRZERGYNFC-SSDOTTSWSA-N -1 0 248.666 0.234 20 30 BCEDRM C=C[C@@H](C)NC(=O)N(C)CCCNC(=O)[O-] ZINC000823491656 587226425 /nfs/dbraw/zinc/22/64/25/587226425.db2.gz ZSDWFXAVYMQDGS-MRVPVSSYSA-N -1 0 229.280 0.860 20 30 BCEDRM C=C[C@@H](C)NC(=O)N1CCN(C(=O)[O-])[C@H](C)C1 ZINC000823490727 587226457 /nfs/dbraw/zinc/22/64/57/587226457.db2.gz KHPVRRJXFSNSFP-RKDXNWHRSA-N -1 0 241.291 0.955 20 30 BCEDRM C=CCCO[C@@H](C)C(=O)OC1CN(C(=O)[O-])C1 ZINC000823496120 587226912 /nfs/dbraw/zinc/22/69/12/587226912.db2.gz CYYLJEBTZNLWOW-QMMMGPOBSA-N -1 0 243.259 0.873 20 30 BCEDRM C=CCNC(=O)N1CCC[C@@H]1CN(C)C(=O)[O-] ZINC000823506809 587227915 /nfs/dbraw/zinc/22/79/15/587227915.db2.gz NLFOZUXNDWKRGE-SECBINFHSA-N -1 0 241.291 0.956 20 30 BCEDRM C=CCNC(=O)N1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000823507045 587227919 /nfs/dbraw/zinc/22/79/19/587227919.db2.gz QLONGKYDKQCNNC-QMMMGPOBSA-N -1 0 227.264 0.566 20 30 BCEDRM C=CCNC(=O)CO[C@@H]1CCCN(C(=O)[O-])C1 ZINC000823506962 587227955 /nfs/dbraw/zinc/22/79/55/587227955.db2.gz POLVOMVJHALIQA-SECBINFHSA-N -1 0 242.275 0.448 20 30 BCEDRM C=CCNC(=O)C[C@H]1CN(C(=O)[O-])CCO1 ZINC000823506388 587228051 /nfs/dbraw/zinc/22/80/51/587228051.db2.gz HDWOVEZDLMOVSS-QMMMGPOBSA-N -1 0 228.248 0.058 20 30 BCEDRM C=CCNC(=O)N(C)C1CCN(C(=O)[O-])CC1 ZINC000823507329 587228073 /nfs/dbraw/zinc/22/80/73/587228073.db2.gz VIYSALZKECWREB-UHFFFAOYSA-N -1 0 241.291 0.956 20 30 BCEDRM C=CCNC(=O)CO[C@H]1CCCN(C(=O)[O-])C1 ZINC000823506964 587228080 /nfs/dbraw/zinc/22/80/80/587228080.db2.gz POLVOMVJHALIQA-VIFPVBQESA-N -1 0 242.275 0.448 20 30 BCEDRM C=CCN1CCO[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823507154 587228098 /nfs/dbraw/zinc/22/80/98/587228098.db2.gz TYXPGTZZAYENEM-RKDXNWHRSA-N -1 0 214.265 0.529 20 30 BCEDRM C=CCNC(=O)[C@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000823506196 587228194 /nfs/dbraw/zinc/22/81/94/587228194.db2.gz CSSAVNFCISAWIW-JGVFFNPUSA-N -1 0 212.249 0.725 20 30 BCEDRM C=CCNC(=O)[C@H]1CC[C@H](NC(=O)[O-])C1 ZINC000823506198 587228295 /nfs/dbraw/zinc/22/82/95/587228295.db2.gz CSSAVNFCISAWIW-YUMQZZPRSA-N -1 0 212.249 0.725 20 30 BCEDRM CC#CCN1CCN(C(=O)[O-])C[C@H]1C#N ZINC000823521493 587228967 /nfs/dbraw/zinc/22/89/67/587228967.db2.gz DDOAEFJKOFFFAR-SECBINFHSA-N -1 0 207.233 0.197 20 30 BCEDRM C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823647914 587233649 /nfs/dbraw/zinc/23/36/49/587233649.db2.gz OPWUOTLZIIWDTB-JGVFFNPUSA-N -1 0 225.248 0.357 20 30 BCEDRM C[C@H](C#N)CNC(=O)CN(CC1CC1)C(=O)[O-] ZINC000823646450 587234115 /nfs/dbraw/zinc/23/41/15/587234115.db2.gz CAXSZFGFEYJXJP-MRVPVSSYSA-N -1 0 239.275 0.652 20 30 BCEDRM C[C@H](CC(=O)N(C)C[C@H](C)C#N)NC(=O)[O-] ZINC000823647392 587234136 /nfs/dbraw/zinc/23/41/36/587234136.db2.gz KQRADVGLPFLOBK-HTQZYQBOSA-N -1 0 227.264 0.651 20 30 BCEDRM C[C@H](C#N)NC(=O)[C@@H]1CC[C@@H](NC(=O)[O-])C1 ZINC000823646492 587234161 /nfs/dbraw/zinc/23/41/61/587234161.db2.gz CQEYNFQEYRFRME-BWZBUEFSSA-N -1 0 225.248 0.451 20 30 BCEDRM C[C@H](C#N)NC(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000823648032 587234224 /nfs/dbraw/zinc/23/42/24/587234224.db2.gz PGYLHDIAHYGWOZ-RNFRBKRXSA-N -1 0 227.264 0.697 20 30 BCEDRM C[C@@H](C#N)COC(=O)[C@H]1CSCN1C(=O)[O-] ZINC000823648947 587234460 /nfs/dbraw/zinc/23/44/60/587234460.db2.gz ZVFVCXWJDKHBOC-NKWVEPMBSA-N -1 0 244.272 0.742 20 30 BCEDRM C[C@H](CN(C)C(=O)[O-])C(=O)OC[C@@H](C)C#N ZINC000823648840 587234523 /nfs/dbraw/zinc/23/45/23/587234523.db2.gz XYPWEEWXKDTHSQ-JGVFFNPUSA-N -1 0 228.248 0.935 20 30 BCEDRM C[C@@H](C#N)CNC(=O)[C@@]1(F)CCN(C(=O)[O-])C1 ZINC000823648701 587234539 /nfs/dbraw/zinc/23/45/39/587234539.db2.gz VPOSLMHGSKBHDC-OIBJUYFYSA-N -1 0 243.238 0.354 20 30 BCEDRM C[C@H](C#N)COC(=O)[C@H](C)NC(=O)[O-] ZINC000823648452 587234688 /nfs/dbraw/zinc/23/46/88/587234688.db2.gz SNCFCSDWEFACTE-RITPCOANSA-N -1 0 200.194 0.345 20 30 BCEDRM C[C@@H](C#N)CNC(=O)[C@H](C)CN(C)C(=O)[O-] ZINC000823648846 587234832 /nfs/dbraw/zinc/23/48/32/587234832.db2.gz XZICQWCLMSALRE-JGVFFNPUSA-N -1 0 227.264 0.508 20 30 BCEDRM CC(C)(C)[C@@H](C#N)NC(=O)CNC(=O)[O-] ZINC000823758852 587239210 /nfs/dbraw/zinc/23/92/10/587239210.db2.gz BDEMEVLPHMKOAA-ZCFIWIBFSA-N -1 0 213.237 0.308 20 30 BCEDRM C#CCCCNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000823841310 587242214 /nfs/dbraw/zinc/24/22/14/587242214.db2.gz KYGMXMXUFRVHDW-UHFFFAOYSA-N -1 0 244.258 0.338 20 30 BCEDRM C#CCCCn1cccc(-c2nnn[n-]2)c1=O ZINC000823844810 587242892 /nfs/dbraw/zinc/24/28/92/587242892.db2.gz JHWPHKFFEYDCDG-UHFFFAOYSA-N -1 0 229.243 0.442 20 30 BCEDRM C=CC[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000823888559 587245749 /nfs/dbraw/zinc/24/57/49/587245749.db2.gz QHTPOAPSHIJECQ-SSDOTTSWSA-N -1 0 246.274 0.889 20 30 BCEDRM C=C(C)CO[N-]C(=O)C1(n2cccn2)CC1 ZINC000824033748 587250003 /nfs/dbraw/zinc/25/00/03/587250003.db2.gz SVWJJOYPSCTONA-UHFFFAOYSA-N -1 0 221.260 0.996 20 30 BCEDRM CC(C)(C#N)CNc1nccnc1-c1nnn[n-]1 ZINC000824059106 587252864 /nfs/dbraw/zinc/25/28/64/587252864.db2.gz MOLPBCUXQTXGPX-UHFFFAOYSA-N -1 0 244.262 0.618 20 30 BCEDRM CC(C)[C@H](C#N)OC(=O)COCCNC(=O)[O-] ZINC000824057177 587252890 /nfs/dbraw/zinc/25/28/90/587252890.db2.gz PJYKGFLUPDBORH-QMMMGPOBSA-N -1 0 244.247 0.362 20 30 BCEDRM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)[C@@H](C)C#N ZINC000824184097 587259348 /nfs/dbraw/zinc/25/93/48/587259348.db2.gz WYCLNAKWOIILOZ-IUCAKERBSA-N -1 0 241.291 0.945 20 30 BCEDRM C=C[C@@H](C)O[N-]C(=O)CN1CCOC1=O ZINC000824232722 587261798 /nfs/dbraw/zinc/26/17/98/587261798.db2.gz MFHDSAPCJVMYCF-SSDOTTSWSA-N -1 0 214.221 0.061 20 30 BCEDRM C[C@H](CC#N)NC(=O)[C@@H]1CC[C@H](NC(=O)[O-])C1 ZINC000824543107 587274844 /nfs/dbraw/zinc/27/48/44/587274844.db2.gz FULFYXDDUPTLCY-HLTSFMKQSA-N -1 0 239.275 0.841 20 30 BCEDRM C[C@H](CC(=O)N1CCC(C#N)CC1)NC(=O)[O-] ZINC000824566152 587276781 /nfs/dbraw/zinc/27/67/81/587276781.db2.gz WZFIJILOAJPOEN-MRVPVSSYSA-N -1 0 239.275 0.795 20 30 BCEDRM C[C@@H](CC(=O)NC1(C#N)CC1)NC(=O)[O-] ZINC000824613138 587279368 /nfs/dbraw/zinc/27/93/68/587279368.db2.gz CKMCDLGWSMTSKA-LURJTMIESA-N -1 0 211.221 0.205 20 30 BCEDRM C[C@H](CC(=O)NC1(C#N)CCC1)NC(=O)[O-] ZINC000824615224 587279387 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C#CC[C@@H](NC(=O)[C@@H]1CCCS1)C(=O)[O-] ZINC000127381103 636478480 /nfs/dbraw/zinc/47/84/80/636478480.db2.gz GVJGTFUCPCESCJ-SFYZADRCSA-N -1 0 227.285 0.475 20 30 BCEDRM C#CC[C@H](NC(=O)c1cccn1C)C(=O)[O-] ZINC000127412708 636521788 /nfs/dbraw/zinc/52/17/88/636521788.db2.gz CJASAFQPQYLUQB-QMMMGPOBSA-N -1 0 220.228 0.231 20 30 BCEDRM C#CC[C@H](NC(=O)c1scnc1C)C(=O)[O-] ZINC000127422536 636544206 /nfs/dbraw/zinc/54/42/06/636544206.db2.gz RIUCJKOABHUKEU-ZETCQYMHSA-N -1 0 238.268 0.658 20 30 BCEDRM CC[C@@H](NN=C1C[N@@H+]2C[C@@H]1CCC2)C(=O)[O-] ZINC000863114153 636682956 /nfs/dbraw/zinc/68/29/56/636682956.db2.gz CGEUTVZCEQOJRS-DTWKUNHWSA-N -1 0 225.292 0.521 20 30 BCEDRM C#CCNC(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000083594249 636873110 /nfs/dbraw/zinc/87/31/10/636873110.db2.gz TXHZJIWXEKCENG-QMMMGPOBSA-N -1 0 212.249 0.276 20 30 BCEDRM C=CC[C@H]1CCN(C(=O)NCC(=O)[N-]OC)C1 ZINC000927217193 637103432 /nfs/dbraw/zinc/10/34/32/637103432.db2.gz YVLDIGZYOOJDRN-VIFPVBQESA-N -1 0 241.291 0.272 20 30 BCEDRM Cc1ccc(C#N)nc1N1CCO[C@H](C(=O)[O-])C1 ZINC000900945802 637207926 /nfs/dbraw/zinc/20/79/26/637207926.db2.gz PVTKTXHEXMIBQL-JTQLQIEISA-N -1 0 247.254 0.552 20 30 BCEDRM C[C@@H](C#N)CNN=Cc1ccc(C(=O)[O-])nc1 ZINC000901209455 637231844 /nfs/dbraw/zinc/23/18/44/637231844.db2.gz ZMMQGNAZAGDWMQ-QMMMGPOBSA-N -1 0 232.243 0.863 20 30 BCEDRM C=CCN(CC(=O)[O-])C(=O)[C@H](C)OC ZINC000163796707 637394903 /nfs/dbraw/zinc/39/49/03/637394903.db2.gz OIFSYHCUQBWLCP-ZETCQYMHSA-N -1 0 201.222 0.121 20 30 BCEDRM C=CCN(C)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC000905033036 637554627 /nfs/dbraw/zinc/55/46/27/637554627.db2.gz KNPFCVUMUCXRBL-UHFFFAOYSA-N -1 0 233.289 0.441 20 30 BCEDRM C=C[C@@H](CC)CC(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000907611598 638430509 /nfs/dbraw/zinc/43/05/09/638430509.db2.gz YDACHKJGVQQTPS-JOYOIKCWSA-N -1 0 241.287 0.949 20 30 BCEDRM C=C[C@](C)(O)C(=O)N[C@H](CCC)C(=O)[O-] ZINC000908008191 638545638 /nfs/dbraw/zinc/54/56/38/638545638.db2.gz YSHRLQTVGCJVID-XCBNKYQSSA-N -1 0 215.249 0.293 20 30 BCEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)[N-]OC(C)(C)CO ZINC000908569568 639019373 /nfs/dbraw/zinc/01/93/73/639019373.db2.gz ULCRTQBSNRNBAK-UWVGGRQHSA-N -1 0 243.303 0.786 20 30 BCEDRM C=C[C@](C)(O)C(=O)N(C)CCCC(=O)[O-] ZINC000908633850 639032848 /nfs/dbraw/zinc/03/28/48/639032848.db2.gz DQSPUIKGQKBYLE-JTQLQIEISA-N -1 0 215.249 0.247 20 30 BCEDRM C#Cc1cncc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000908620081 639038119 /nfs/dbraw/zinc/03/81/19/639038119.db2.gz VWUJXMZYUIDBBC-LLVKDONJSA-N -1 0 246.266 0.902 20 30 BCEDRM C=CCNC(=O)CCCn1ccc(C(=O)[O-])n1 ZINC000908691515 639046356 /nfs/dbraw/zinc/04/63/56/639046356.db2.gz XIRXPVZHFRSCPQ-UHFFFAOYSA-N -1 0 237.259 0.664 20 30 BCEDRM C=C[C@H](O)C(=O)N[C@](C)(CCC)C(=O)[O-] ZINC000908868996 639082716 /nfs/dbraw/zinc/08/27/16/639082716.db2.gz NCLWRDQHQHGKHI-OIBJUYFYSA-N -1 0 215.249 0.293 20 30 BCEDRM C#CCO[C@@H](C)C(=O)N[C@](C)(CCC)C(=O)[O-] ZINC000908868280 639083814 /nfs/dbraw/zinc/08/38/14/639083814.db2.gz ZRSKFLFTVSSQKP-JOYOIKCWSA-N -1 0 241.287 0.784 20 30 BCEDRM C#CCO[C@@H](C)C(=O)N(CC)CCC(=O)[O-] ZINC000908860459 639086877 /nfs/dbraw/zinc/08/68/77/639086877.db2.gz AAPZLCOYVLYLDB-VIFPVBQESA-N -1 0 227.260 0.348 20 30 BCEDRM C#CCO[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000908969080 639106587 /nfs/dbraw/zinc/10/65/87/639106587.db2.gz QYCCQLGBJPCHRW-IUCAKERBSA-N -1 0 241.287 0.640 20 30 BCEDRM C#CCO[C@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000908969076 639107210 /nfs/dbraw/zinc/10/72/10/639107210.db2.gz QYCCQLGBJPCHRW-BDAKNGLRSA-N -1 0 241.287 0.640 20 30 BCEDRM C=C[C@@H](O)C(=O)NC1(CC(=O)[O-])CCC1 ZINC000909060680 639135250 /nfs/dbraw/zinc/13/52/50/639135250.db2.gz REIGKWOOMSDVJC-SSDOTTSWSA-N -1 0 213.233 0.047 20 30 BCEDRM C#Cc1cncc(C(=O)N[C@H](CC)C(=O)[O-])c1 ZINC000909121566 639150929 /nfs/dbraw/zinc/15/09/29/639150929.db2.gz RBMXNGVXWSVXMS-SNVBAGLBSA-N -1 0 232.239 0.656 20 30 BCEDRM C#CCCCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000909266704 639189834 /nfs/dbraw/zinc/18/98/34/639189834.db2.gz JCGYLRJMIRZQJL-SNVBAGLBSA-N -1 0 239.271 0.492 20 30 BCEDRM C=C[C@H](O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000909292420 639191033 /nfs/dbraw/zinc/19/10/33/639191033.db2.gz ULYDPRUTYYBNRY-BDAKNGLRSA-N -1 0 229.276 0.396 20 30 BCEDRM C#CCO[C@@H](C)C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000909310340 639203548 /nfs/dbraw/zinc/20/35/48/639203548.db2.gz YMQAGDQDBLYTBG-KWQFWETISA-N -1 0 243.234 0.050 20 30 BCEDRM C=CCC[C@H](NC(=O)[C@@](C)(O)C=C)C(=O)[O-] ZINC000909712767 639206480 /nfs/dbraw/zinc/20/64/80/639206480.db2.gz NGKKDLFYDQPYKY-KWQFWETISA-N -1 0 227.260 0.459 20 30 BCEDRM C=CCC[C@H](NC(=O)[C@H](CC)CO)C(=O)[O-] ZINC000909712060 639207130 /nfs/dbraw/zinc/20/71/30/639207130.db2.gz GLYPXXGOGZZPIB-BDAKNGLRSA-N -1 0 229.276 0.541 20 30 BCEDRM C=CCC[C@@H](NC(=O)[C@H]1C[C@@H](O)C1)C(=O)[O-] ZINC000909713821 639207151 /nfs/dbraw/zinc/20/71/51/639207151.db2.gz SKPRSXFLADPDBI-HRDYMLBCSA-N -1 0 227.260 0.293 20 30 BCEDRM C=CCC[C@H](NC(=O)C1CC(=O)C1)C(=O)[O-] ZINC000909716742 639211390 /nfs/dbraw/zinc/21/13/90/639211390.db2.gz CSCXXEKWJKRTAH-VIFPVBQESA-N -1 0 225.244 0.501 20 30 BCEDRM C=C[C@@](C)(O)C(=O)NCCC(C)(C)C(=O)[O-] ZINC000909748793 639220096 /nfs/dbraw/zinc/22/00/96/639220096.db2.gz QCGBDUBZBGDDIZ-LLVKDONJSA-N -1 0 229.276 0.541 20 30 BCEDRM C=CCOCC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000909798778 639221641 /nfs/dbraw/zinc/22/16/41/639221641.db2.gz JLVYZBJDGLTHEP-RKDXNWHRSA-N -1 0 227.260 0.511 20 30 BCEDRM C=C[C@@](C)(O)C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000909844997 639237137 /nfs/dbraw/zinc/23/71/37/639237137.db2.gz ZKTCJOWMEQVNIK-NWDGAFQWSA-N -1 0 241.287 0.637 20 30 BCEDRM C#CCO[C@H](C)C(=O)NC[C@H](CC)C(=O)[O-] ZINC000909870123 639240317 /nfs/dbraw/zinc/24/03/17/639240317.db2.gz SPMANNCIMLFEMR-BDAKNGLRSA-N -1 0 227.260 0.252 20 30 BCEDRM C=C[C@H](O)C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000909882442 639254177 /nfs/dbraw/zinc/25/41/77/639254177.db2.gz KCJOOSLWYQMQEP-IUCAKERBSA-N -1 0 227.260 0.150 20 30 BCEDRM C=CCCNC(=O)Cn1ccc(C(=O)[O-])n1 ZINC000909944827 639285627 /nfs/dbraw/zinc/28/56/27/639285627.db2.gz XDTAVQJNKPXWLD-UHFFFAOYSA-N -1 0 223.232 0.274 20 30 BCEDRM C#CCCCC(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000909997118 639306951 /nfs/dbraw/zinc/30/69/51/639306951.db2.gz NMNUMNFYNOITJR-KYZUINATSA-N -1 0 209.245 0.769 20 30 BCEDRM C#CCCCC(=O)N1CC2CC1(C(=O)[O-])C2 ZINC000909949816 639289403 /nfs/dbraw/zinc/28/94/03/639289403.db2.gz NIWYAQOUDXJPLR-UHFFFAOYSA-N -1 0 221.256 0.866 20 30 BCEDRM C=CCOCC(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000909995551 639305166 /nfs/dbraw/zinc/30/51/66/639305166.db2.gz KKOVXYPXIHJKNM-JOYOIKCWSA-N -1 0 241.287 0.949 20 30 BCEDRM C#CC[C@H](NC(=O)C(C)(C)C=C)C(=O)[O-] ZINC000910051651 639336869 /nfs/dbraw/zinc/33/68/69/639336869.db2.gz XZJOTKSJNICMMP-QMMMGPOBSA-N -1 0 209.245 0.791 20 30 BCEDRM C#CC[C@H](NC(=O)c1cn(CC)cn1)C(=O)[O-] ZINC000910051072 639337577 /nfs/dbraw/zinc/33/75/77/639337577.db2.gz ROHYDOMQQAXNBL-QMMMGPOBSA-N -1 0 235.243 0.109 20 30 BCEDRM C#CC[C@H](NC(=O)c1n[nH]c2c1CCC2)C(=O)[O-] ZINC000910051174 639338163 /nfs/dbraw/zinc/33/81/63/639338163.db2.gz GEZWUGSSZDQBMN-VIFPVBQESA-N -1 0 247.254 0.105 20 30 BCEDRM C#CC[C@@H](NC(=O)c1cnn(C)c1CC)C(=O)[O-] ZINC000910051207 639338259 /nfs/dbraw/zinc/33/82/59/639338259.db2.gz GPIMRQXDFBPVOD-SECBINFHSA-N -1 0 249.270 0.189 20 30 BCEDRM C#CC[C@@H](NC(=O)CCn1cc(C)cn1)C(=O)[O-] ZINC000910051788 639338665 /nfs/dbraw/zinc/33/86/65/639338665.db2.gz HLXBKBZRRBHEJS-SNVBAGLBSA-N -1 0 249.270 0.174 20 30 BCEDRM C#CC[C@@H](NC(=O)CCCCOC)C(=O)[O-] ZINC000910053993 639338767 /nfs/dbraw/zinc/33/87/67/639338767.db2.gz GXBKYEMPMRRDGH-SECBINFHSA-N -1 0 227.260 0.396 20 30 BCEDRM C#CC[C@H](NC(=O)[C@H](C)OCC1CC1)C(=O)[O-] ZINC000910052889 639339109 /nfs/dbraw/zinc/33/91/09/639339109.db2.gz JNUNVYREHOVJEB-WPRPVWTQSA-N -1 0 239.271 0.394 20 30 BCEDRM C#CC[C@@H](NC(=O)[C@@H](C)SC)C(=O)[O-] ZINC000910053000 639339313 /nfs/dbraw/zinc/33/93/13/639339313.db2.gz MDHSZHVAEZQROY-RNFRBKRXSA-N -1 0 215.274 0.331 20 30 BCEDRM C#CC[C@H](NC(=O)Cc1cc(C)no1)C(=O)[O-] ZINC000910052124 639339432 /nfs/dbraw/zinc/33/94/32/639339432.db2.gz OVEOAHCMCMMUFB-VIFPVBQESA-N -1 0 236.227 0.118 20 30 BCEDRM C#CC[C@@H](NC(=O)[C@H](C)OCC(C)C)C(=O)[O-] ZINC000910052312 639339459 /nfs/dbraw/zinc/33/94/59/639339459.db2.gz TXAOJBVRJVSYTA-VHSXEESVSA-N -1 0 241.287 0.640 20 30 BCEDRM C#CC[C@@H](NC(=O)c1cc(C2CC2)n[nH]1)C(=O)[O-] ZINC000910053642 639339723 /nfs/dbraw/zinc/33/97/23/639339723.db2.gz XEGPFJSXRRHFIC-MRVPVSSYSA-N -1 0 247.254 0.493 20 30 BCEDRM C#CC[C@@H](NC(=O)CCOCC(C)C)C(=O)[O-] ZINC000910052770 639339961 /nfs/dbraw/zinc/33/99/61/639339961.db2.gz IEZBRQBESCOYOP-SNVBAGLBSA-N -1 0 241.287 0.642 20 30 BCEDRM C#CC[C@@H](NC(=O)[C@H](C)OCCCC)C(=O)[O-] ZINC000910053621 639340004 /nfs/dbraw/zinc/34/00/04/639340004.db2.gz WTYICMINEMOSNI-VHSXEESVSA-N -1 0 241.287 0.784 20 30 BCEDRM C#CC[C@@H](NC(=O)C1(CC)COC1)C(=O)[O-] ZINC000910054053 639340036 /nfs/dbraw/zinc/34/00/36/639340036.db2.gz IJVOJVAFCCLAGB-MRVPVSSYSA-N -1 0 225.244 0.006 20 30 BCEDRM C#CC[C@@H](NC(=O)c1cc(C(C)C)n[nH]1)C(=O)[O-] ZINC000910053071 639340060 /nfs/dbraw/zinc/34/00/60/639340060.db2.gz NWOWMLRUZDQZPC-MRVPVSSYSA-N -1 0 249.270 0.739 20 30 BCEDRM C#CC[C@@H](NC(=O)/C=C(/C)C1CC1)C(=O)[O-] ZINC000910054434 639340504 /nfs/dbraw/zinc/34/05/04/639340504.db2.gz OCQCLUQQNVQKKE-GQYWMQPJSA-N -1 0 221.256 0.935 20 30 BCEDRM C#CC[C@@H](NC(=O)C12CC(C1)C2)C(=O)[O-] ZINC000910046374 639348418 /nfs/dbraw/zinc/34/84/18/639348418.db2.gz NMZAITRDYKWVJX-JKDSDDBFSA-N -1 0 207.229 0.379 20 30 BCEDRM C#CC[C@@H](NC(=O)C1(COC)CCC1)C(=O)[O-] ZINC000910045990 639348516 /nfs/dbraw/zinc/34/85/16/639348516.db2.gz JDCWBEWWGUNCRL-SECBINFHSA-N -1 0 239.271 0.396 20 30 BCEDRM C#CC[C@H](NC(=O)Cc1ccn(CC)n1)C(=O)[O-] ZINC000910045443 639348686 /nfs/dbraw/zinc/34/86/86/639348686.db2.gz DOEYRVQZCKBLKX-JTQLQIEISA-N -1 0 249.270 0.038 20 30 BCEDRM C=C[C@H](O)C(=O)N1CCCCC[C@H]1C(=O)[O-] ZINC000910044670 639349428 /nfs/dbraw/zinc/34/94/28/639349428.db2.gz RYYRTKARXSUFSH-IUCAKERBSA-N -1 0 227.260 0.389 20 30 BCEDRM C#CC[C@@H](NC(=O)C[C@H](C)n1ccnc1)C(=O)[O-] ZINC000910046464 639349860 /nfs/dbraw/zinc/34/98/60/639349860.db2.gz PZLPEWVACXVYNU-VHSXEESVSA-N -1 0 249.270 0.427 20 30 BCEDRM C#CC[C@H](NC(=O)[C@@H]1CC[C@H](CC)O1)C(=O)[O-] ZINC000910046419 639349876 /nfs/dbraw/zinc/34/98/76/639349876.db2.gz ORQBJEWOKCMOMV-GUBZILKMSA-N -1 0 239.271 0.537 20 30 BCEDRM C#CC[C@H](NC(=O)[C@@H]1CC[C@@H](OC)C1)C(=O)[O-] ZINC000910046082 639349897 /nfs/dbraw/zinc/34/98/97/639349897.db2.gz LIHRCRSSWHAANQ-BBBLOLIVSA-N -1 0 239.271 0.394 20 30 BCEDRM C#CC[C@@H](NC(=O)CCOCC1CC1)C(=O)[O-] ZINC000910048589 639350404 /nfs/dbraw/zinc/35/04/04/639350404.db2.gz NDTAHCMXXVPVRM-SNVBAGLBSA-N -1 0 239.271 0.396 20 30 BCEDRM C#CC[C@H](NC(=O)c1ccn(C)c1C)C(=O)[O-] ZINC000910048374 639351095 /nfs/dbraw/zinc/35/10/95/639351095.db2.gz KCMFRXFRWPEEMZ-JTQLQIEISA-N -1 0 234.255 0.540 20 30 BCEDRM C#CC[C@H](NC(=O)[C@H]1CCCOCC1)C(=O)[O-] ZINC000910048336 639351438 /nfs/dbraw/zinc/35/14/38/639351438.db2.gz 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135358801 /nfs/dbraw/zinc/35/88/01/135358801.db2.gz DWNPFWRHNWTBPN-QMMMGPOBSA-N -1 0 233.289 0.441 20 30 BCEDRM C=CCOCC(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000263568807 135362406 /nfs/dbraw/zinc/36/24/06/135362406.db2.gz YUGBDYPSXISOCQ-QMMMGPOBSA-N -1 0 227.260 0.653 20 30 BCEDRM CC#CC[C@H](NC(=O)N(C)CC)C(=O)[O-] ZINC000287115567 135372885 /nfs/dbraw/zinc/37/28/85/135372885.db2.gz AZXVCVFHUDJWHN-QMMMGPOBSA-N -1 0 212.249 0.514 20 30 BCEDRM Cc1cc(C#N)nc(N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000231892453 135639929 /nfs/dbraw/zinc/63/99/29/135639929.db2.gz GSUGLQSTFHXSJD-VIFPVBQESA-N -1 0 246.270 0.958 20 30 BCEDRM C=CCn1cc(C(=O)N[C@@H](C)CC(=O)[O-])nn1 ZINC000647598127 397791165 /nfs/dbraw/zinc/79/11/65/397791165.db2.gz FRMCYXRCGHPKPN-ZETCQYMHSA-N -1 0 238.247 0.057 20 30 BCEDRM C#CC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000037716501 166109522 /nfs/dbraw/zinc/10/95/22/166109522.db2.gz OXBSDTJKUKYHEF-UHFFFAOYSA-N -1 0 203.197 0.634 20 30 BCEDRM C=CCN(C(=O)[C@@H](C)C(=O)[O-])[C@H](C)COC ZINC000663124667 410079895 /nfs/dbraw/zinc/07/98/95/410079895.db2.gz DXVLMPCHJKLLOJ-RKDXNWHRSA-N -1 0 229.276 0.757 20 30 BCEDRM C#CCNC(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000054302222 166175936 /nfs/dbraw/zinc/17/59/36/166175936.db2.gz NLDSYJPAHKTBTH-VIFPVBQESA-N -1 0 224.260 0.516 20 30 BCEDRM C#CCNC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC000034938469 166182368 /nfs/dbraw/zinc/18/23/68/166182368.db2.gz IAMAYUSDRYNHPZ-RNFRBKRXSA-N -1 0 215.274 0.331 20 30 BCEDRM C=CCCCS(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000261528775 166245443 /nfs/dbraw/zinc/24/54/43/166245443.db2.gz NTBGICDXNUTOIT-SSDOTTSWSA-N -1 0 221.278 0.345 20 30 BCEDRM C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000261563399 166272612 /nfs/dbraw/zinc/27/26/12/166272612.db2.gz BUVYGRRKSJKHIB-IUCAKERBSA-N -1 0 229.276 0.899 20 30 BCEDRM C=CCCS(=O)(=O)N(C)CCCC(=O)[O-] ZINC000270483704 166276659 /nfs/dbraw/zinc/27/66/59/166276659.db2.gz KZUQQEAEKMRWBT-UHFFFAOYSA-N -1 0 235.305 0.689 20 30 BCEDRM C=CCCC(=O)N=c1ccc(C(=O)NC)n[n-]1 ZINC000650816648 410528485 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229.276 0.396 20 30 BCEDRM C=C[C@](C)(O)C(=O)NCC(C)(C)C(=O)[O-] ZINC000909277447 639194134 /nfs/dbraw/zinc/19/41/34/639194134.db2.gz XMRWWAMPBKWSPG-JTQLQIEISA-N -1 0 215.249 0.150 20 30 BCEDRM C=CCO[N-]C(=O)[C@]1(C)CCCS1(=O)=O ZINC000909283049 639195550 /nfs/dbraw/zinc/19/55/50/639195550.db2.gz PQGXGIIDLKXSJQ-VIFPVBQESA-N -1 0 233.289 0.188 20 30 BCEDRM C=C[C@@H](O)C(=O)N(CC(=O)[O-])[C@H](C)CC ZINC000909311630 639203070 /nfs/dbraw/zinc/20/30/70/639203070.db2.gz IGYQASRIJCCZDI-HTQZYQBOSA-N -1 0 215.249 0.245 20 30 BCEDRM C#CCCCC(=O)N[C@@]1(CC(=O)[O-])CCOC1 ZINC000909699068 639205525 /nfs/dbraw/zinc/20/55/25/639205525.db2.gz MXMWKSCWVZWKES-GFCCVEGCSA-N -1 0 239.271 0.540 20 30 BCEDRM C=CCC[C@H](NC(=O)C1(COC)CC1)C(=O)[O-] ZINC000909713865 639206610 /nfs/dbraw/zinc/20/66/10/639206610.db2.gz SYVHXLLZGVEYKT-VIFPVBQESA-N -1 0 241.287 0.949 20 30 BCEDRM C=CCC[C@H](NC(=O)[C@H](C)[C@@H](O)CC)C(=O)[O-] ZINC000909713538 639206622 /nfs/dbraw/zinc/20/66/22/639206622.db2.gz 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