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37932891 948845765 /nfs/dbraw/zinc/84/57/65/948845765.db2.gz WFLNJPGUNLKRJI-UHFFFAOYSA-N -1 1 198.222 0.890 20 0 ACADMM CN(C)Cc1cn(C)nc1C(=O)[O-] 409437229 541345395 /nfs/dbraw/zinc/34/53/95/541345395.db2.gz DYLLQCHOKQYXAS-UHFFFAOYSA-N -1 1 183.211 0.180 20 0 ACADMM O=C([O-])CCN(C1CC1)C1COC1 107130959 949213152 /nfs/dbraw/zinc/21/31/52/949213152.db2.gz DJHZJTWZSCOYBW-UHFFFAOYSA-N -1 1 185.223 0.324 20 0 ACADMM C[C@@H](C(=O)[O-])N1CCC(=O)[C@H](C)C1 125091451 949257817 /nfs/dbraw/zinc/25/78/17/949257817.db2.gz FIFQCJNXEULFIO-RQJHMYQMSA-N -1 1 185.223 0.370 20 0 ACADMM C[C@H]1CN([C@@H](C)C(=O)[O-])CCC1=O 125091692 949259233 /nfs/dbraw/zinc/25/92/33/949259233.db2.gz FIFQCJNXEULFIO-BQBZGAKWSA-N -1 1 185.223 0.370 20 0 ACADMM C[C@H]1CN(CCC(=O)[O-])CCC1=O 164559168 949415880 /nfs/dbraw/zinc/41/58/80/949415880.db2.gz MGGKTKSLOUALGF-ZETCQYMHSA-N -1 1 185.223 0.372 20 0 ACADMM C[C@@H]1CN(CCC(=O)[O-])CCC1=O 164559050 949416819 /nfs/dbraw/zinc/41/68/19/949416819.db2.gz MGGKTKSLOUALGF-SSDOTTSWSA-N 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/nfs/dbraw/zinc/75/25/30/949752530.db2.gz ODENMOCDODPOLM-ZCFIWIBFSA-N -1 1 198.222 0.793 20 0 ACADMM CCCN(CC(=O)[O-])Cc1c[nH]nn1 1589669742 949924477 /nfs/dbraw/zinc/92/44/77/949924477.db2.gz BVIREOAUULYKRZ-UHFFFAOYSA-N -1 1 198.226 0.101 20 0 ACADMM CCNCc1cn([C@@H](C)C(=O)[O-])nn1 1589962955 950744550 /nfs/dbraw/zinc/74/45/50/950744550.db2.gz VZPHEPIQDJQQJL-LURJTMIESA-N -1 1 198.226 0.033 20 0 ACADMM CCNCc1cn([C@H](C)C(=O)[O-])nn1 1589962958 950745298 /nfs/dbraw/zinc/74/52/98/950745298.db2.gz VZPHEPIQDJQQJL-ZCFIWIBFSA-N -1 1 198.226 0.033 20 0 ACADMM O=C([O-])CN1Cc2ccc(O)cc2C1 1595096937 951824450 /nfs/dbraw/zinc/82/44/50/951824450.db2.gz LCCRUDYBHRQMKB-UHFFFAOYSA-N -1 1 193.202 0.792 20 0 ACADMM O=C([O-])CN1CCn2cccc2C1 1595096943 951824529 /nfs/dbraw/zinc/82/45/29/951824529.db2.gz LUYBXEJPABMIPQ-UHFFFAOYSA-N -1 1 180.207 0.388 20 0 ACADMM O=C([O-])CN1CCC[C@H]1c1nnc[nH]1 1595097215 951828867 /nfs/dbraw/zinc/82/88/67/951828867.db2.gz YHEHRBYSZCCGRJ-LURJTMIESA-N -1 1 196.210 0.026 20 0 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1 144.203 0.105 20 0 ACADMM CC=C(C)C(=O)Nc1nn[n-]n1 306508245 1423580107 /nfs/dbraw/zinc/58/01/07/1423580107.db2.gz AGQQBVSKVYIRMG-ARJAWSKDSA-N -1 1 167.172 0.104 20 0 ACADMM C[C@@H](CCO)SCc1nnn[n-]1 308061104 1423677329 /nfs/dbraw/zinc/67/73/29/1423677329.db2.gz WIPQLWVRSFQARH-YFKPBYRVSA-N -1 1 188.256 0.204 20 0 ACADMM CCC1(C(=O)Nc2nnn[n-]2)CC1 306586775 1423684015 /nfs/dbraw/zinc/68/40/15/1423684015.db2.gz LLPIHAKOVHTVQM-UHFFFAOYSA-N -1 1 181.199 0.328 20 0 ACADMM CC1(C)C[C@@H]1C(=O)Nc1nnn[n-]1 306542759 1423690452 /nfs/dbraw/zinc/69/04/52/1423690452.db2.gz RGBMVDHSXSIGDH-SCSAIBSYSA-N -1 1 181.199 0.184 20 0 ACADMM CSc1ccc(-c2nnn[n-]2)cn1 95318880 1423695198 /nfs/dbraw/zinc/69/51/98/1423695198.db2.gz IYJWQUHSAAARPU-UHFFFAOYSA-N -1 1 193.235 0.984 20 0 ACADMM CCC(CC)C(=O)Nc1nnn[n-]1 5917485 1423700008 /nfs/dbraw/zinc/70/00/08/1423700008.db2.gz NKKSOTHMAYLUED-UHFFFAOYSA-N -1 1 183.215 0.574 20 0 ACADMM O=C(Nc1nnn[n-]1)C1CC=CC1 306220292 1423700310 /nfs/dbraw/zinc/70/03/10/1423700310.db2.gz HMHNMMHIXSASFF-UHFFFAOYSA-N -1 1 179.183 0.104 20 0 ACADMM Cc1coc(SCc2nnn[n-]2)n1 306323603 1423700999 /nfs/dbraw/zinc/70/09/99/1423700999.db2.gz VODIGPWNZPOMLL-UHFFFAOYSA-N -1 1 197.223 0.788 20 0 ACADMM Clc1ccc(-c2nnn[n-]2)cn1 95235094 1423735429 /nfs/dbraw/zinc/73/54/29/1423735429.db2.gz AEOSVFIAJYOGHI-UHFFFAOYSA-N -1 1 181.586 0.915 20 0 ACADMM C=CCSCCc1nnn[n-]1 95111490 1423748338 /nfs/dbraw/zinc/74/83/38/1423748338.db2.gz STFCCSKJGZYSNG-UHFFFAOYSA-N -1 1 170.241 0.661 20 0 ACADMM CCC(=O)N(C)C[C@H](C)c1nnn[n-]1 95269212 1423761005 /nfs/dbraw/zinc/76/10/05/1423761005.db2.gz DXASRBUGYUYJKL-LURJTMIESA-N -1 1 197.242 0.172 20 0 ACADMM CCC=C(C)C(=O)Nc1nn[n-]n1 306260323 1423780101 /nfs/dbraw/zinc/78/01/01/1423780101.db2.gz KCEICWAVGIJWOI-PLNGDYQASA-N -1 1 181.199 0.495 20 0 ACADMM CCCc1nccn1Cc1nnn[n-]1 95278753 1423788167 /nfs/dbraw/zinc/78/81/67/1423788167.db2.gz QVIATVSDBMFCTH-UHFFFAOYSA-N -1 1 192.226 0.397 20 0 ACADMM CC(C)=CC(=O)Nc1nn[n-]n1 75290280 1423791761 /nfs/dbraw/zinc/79/17/61/1423791761.db2.gz RSBVSKCSRONSDV-UHFFFAOYSA-N -1 1 167.172 0.104 20 0 ACADMM CCC(=O)N(C)C[C@@H](C)c1nnn[n-]1 95269211 1423851969 /nfs/dbraw/zinc/85/19/69/1423851969.db2.gz DXASRBUGYUYJKL-ZCFIWIBFSA-N -1 1 197.242 0.172 20 0 ACADMM CCC(C)(C)C(=O)NCc1nnn[n-]1 54403785 1423853864 /nfs/dbraw/zinc/85/38/64/1423853864.db2.gz NRFQIVWYHWKZRM-UHFFFAOYSA-N -1 1 197.242 0.252 20 0 ACADMM CC(C)(C)CC(=O)NCc1nnn[n-]1 44929303 1423878441 /nfs/dbraw/zinc/87/84/41/1423878441.db2.gz QYVMFVSLJOONST-UHFFFAOYSA-N -1 1 197.242 0.252 20 0 ACADMM c1csc(SCc2nn[n-]n2)n1 95188111 1423884665 /nfs/dbraw/zinc/88/46/65/1423884665.db2.gz VDJPSDILRBIVHO-UHFFFAOYSA-N -1 1 199.264 0.949 20 0 ACADMM CC(C)[C@H](C)C(=O)NCc1nnn[n-]1 69688604 1423903949 /nfs/dbraw/zinc/90/39/49/1423903949.db2.gz LHEXGJQQXFRIJV-LURJTMIESA-N -1 1 197.242 0.108 20 0 ACADMM CCCC=CC(=O)N(C)c1nnn[n-]1 912618227 1423924052 /nfs/dbraw/zinc/92/40/52/1423924052.db2.gz YRURKIXENDPXFL-AATRIKPKSA-N -1 1 195.226 0.519 20 0 ACADMM O=C(Nc1nnn[n-]1)[C@H]1CCCS1 306655797 1423927936 /nfs/dbraw/zinc/92/79/36/1423927936.db2.gz YUTMZRDGICAMNW-SCSAIBSYSA-N -1 1 199.239 0.034 20 0 ACADMM CCCC=CC(=O)Nc1nnn[n-]1 307439075 1423930618 /nfs/dbraw/zinc/93/06/18/1423930618.db2.gz WJLTZRUCDQAJQY-SNAWJCMRSA-N -1 1 181.199 0.495 20 0 ACADMM CCC[C@H](NC(C)=O)c1nnn[n-]1 95287657 1423941678 /nfs/dbraw/zinc/94/16/78/1423941678.db2.gz JWVWHQIHCPCOOG-LURJTMIESA-N -1 1 183.215 0.177 20 0 ACADMM CC(F)(F)CC(=O)Nc1nnn[n-]1 306525903 1423941802 /nfs/dbraw/zinc/94/18/02/1423941802.db2.gz RWFZFAJTHCPQDU-UHFFFAOYSA-N -1 1 191.141 0.184 20 0 ACADMM Cc1occc1C(=O)Nc1nn[n-]n1 2486371 1423961909 /nfs/dbraw/zinc/96/19/09/1423961909.db2.gz LAMDXGJXTOPGOY-UHFFFAOYSA-N -1 1 193.166 0.353 20 0 ACADMM O=C(CC1CCC1)Nc1nnn[n-]1 306883792 1423996674 /nfs/dbraw/zinc/99/66/74/1423996674.db2.gz PFCKMEGDKSFWSQ-UHFFFAOYSA-N -1 1 181.199 0.328 20 0 ACADMM CCCCC(=O)NCc1nnn[n-]1 44927071 1424013151 /nfs/dbraw/zinc/01/31/51/1424013151.db2.gz GPEWKLUHAPLEOJ-UHFFFAOYSA-N -1 1 183.215 0.006 20 0 ACADMM COCCSCCc1nnn[n-]1 95316865 1424015072 /nfs/dbraw/zinc/01/50/72/1424015072.db2.gz KHZCVUNIHWPQPD-UHFFFAOYSA-N -1 1 188.256 0.122 20 0 ACADMM Cn1ccnc1SCc1nnn[n-]1 95148729 1424024325 /nfs/dbraw/zinc/02/43/25/1424024325.db2.gz QAKZBCUYDRCWQE-UHFFFAOYSA-N -1 1 196.239 0.226 20 0 ACADMM C[C@@H](C(=O)Nc1nnn[n-]1)C1CC1 306738881 1424076683 /nfs/dbraw/zinc/07/66/83/1424076683.db2.gz AUARDYMLUSXRBE-SCSAIBSYSA-N -1 1 181.199 0.184 20 0 ACADMM CC[C@@H](C)CC(=O)Nc1nnn[n-]1 306416407 1424104255 /nfs/dbraw/zinc/10/42/55/1424104255.db2.gz RFGFVJMWRXBLDF-RXMQYKEDSA-N -1 1 183.215 0.574 20 0 ACADMM CC[C@H](C)CC(=O)Nc1nnn[n-]1 306416408 1424139067 /nfs/dbraw/zinc/13/90/67/1424139067.db2.gz RFGFVJMWRXBLDF-YFKPBYRVSA-N -1 1 183.215 0.574 20 0 ACADMM CCCCCC(=O)NCc1nnn[n-]1 44927057 1424145283 /nfs/dbraw/zinc/14/52/83/1424145283.db2.gz HTFHMWYSEJUSBX-UHFFFAOYSA-N -1 1 197.242 0.396 20 0 ACADMM CCCCC(=O)Nc1nnn[n-]1 6039728 1424161958 /nfs/dbraw/zinc/16/19/58/1424161958.db2.gz PKGDRPLRQFTGHB-UHFFFAOYSA-N -1 1 169.188 0.328 20 0 ACADMM CC(C)[C@@H](F)C(=O)Nc1nnn[n-]1 306438929 1424241736 /nfs/dbraw/zinc/24/17/36/1424241736.db2.gz MZNNUIFJXMFLID-SCSAIBSYSA-N -1 1 187.178 0.132 20 0 ACADMM CCCOCc1nnn[n-]1 44652236 1424249718 /nfs/dbraw/zinc/24/97/18/1424249718.db2.gz SHLNOVCHFMHGLT-UHFFFAOYSA-N -1 1 142.162 0.126 20 0 ACADMM CC=CC=CC(=O)Nc1nn[n-]n1 306502922 1424265500 /nfs/dbraw/zinc/26/55/00/1424265500.db2.gz PAYWWLJLRFINHC-MQQKCMAXSA-N -1 1 179.183 0.271 20 0 ACADMM CC=C(CC)C(=O)Nc1nn[n-]n1 307647241 1424276417 /nfs/dbraw/zinc/27/64/17/1424276417.db2.gz DOGWUCAKOBPWFC-HWKANZROSA-N -1 1 181.199 0.495 20 0 ACADMM CC1(C(=O)Nc2nnn[n-]2)CCC1 307703945 1424288652 /nfs/dbraw/zinc/28/86/52/1424288652.db2.gz SFVCIQVTIQQWPS-UHFFFAOYSA-N -1 1 181.199 0.328 20 0 ACADMM CC(C)=C(C)C(=O)Nc1nn[n-]n1 307672653 1424303850 /nfs/dbraw/zinc/30/38/50/1424303850.db2.gz YSRFVYCEKPFBFW-UHFFFAOYSA-N -1 1 181.199 0.495 20 0 ACADMM CC(C)COCc1nnn[n-]1 95207350 1424327031 /nfs/dbraw/zinc/32/70/31/1424327031.db2.gz DEMYUELEUJDQBR-UHFFFAOYSA-N -1 1 156.189 0.372 20 0 ACADMM O=C(CC1CCC1)NCc1nnn[n-]1 231295565 1424332734 /nfs/dbraw/zinc/33/27/34/1424332734.db2.gz QGROPKNGCLHOTG-UHFFFAOYSA-N -1 1 195.226 0.006 20 0 ACADMM CCC[C@@H](C)C(=O)NCc1nnn[n-]1 44929344 1424335730 /nfs/dbraw/zinc/33/57/30/1424335730.db2.gz CWYDNQFUOPNNGE-ZCFIWIBFSA-N -1 1 197.242 0.252 20 0 ACADMM C[C@H](CCO)SCc1nnn[n-]1 308061102 1424343786 /nfs/dbraw/zinc/34/37/86/1424343786.db2.gz WIPQLWVRSFQARH-RXMQYKEDSA-N -1 1 188.256 0.204 20 0 ACADMM CCC=C(C)C(=O)NCc1nnn[n-]1 44927167 1424357580 /nfs/dbraw/zinc/35/75/80/1424357580.db2.gz QUSUACJVRVUMRZ-XQRVVYSFSA-N -1 1 195.226 0.172 20 0 ACADMM O=C(Nc1nn[n-]n1)c1ccsc1 144204423 1424362819 /nfs/dbraw/zinc/36/28/19/1424362819.db2.gz NDONDIUKMDTICS-UHFFFAOYSA-N -1 1 195.207 0.514 20 0 ACADMM c1cnc(SCc2nn[n-]n2)nc1 95251894 1424392786 /nfs/dbraw/zinc/39/27/86/1424392786.db2.gz 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/nfs/dbraw/zinc/57/00/76/1424570076.db2.gz IDJFNLBBYIXUNK-RXMQYKEDSA-N -1 1 183.215 0.574 20 0 ACADMM CC(C)CC(=O)Nc1nnn[n-]1 6563635 1424583279 /nfs/dbraw/zinc/58/32/79/1424583279.db2.gz HRGRYMGYDJCASV-UHFFFAOYSA-N -1 1 169.188 0.184 20 0 ACADMM CCC(CC)C(=O)NCc1nnn[n-]1 44929504 1424583290 /nfs/dbraw/zinc/58/32/90/1424583290.db2.gz WFYXFXCECPBGBD-UHFFFAOYSA-N -1 1 197.242 0.252 20 0 ACADMM COCCSCc1nnn[n-]1 95316864 1424594836 /nfs/dbraw/zinc/59/48/36/1424594836.db2.gz YZZHWWNLYWTPSC-UHFFFAOYSA-N -1 1 174.229 0.079 20 0 ACADMM Clc1ncccc1-c1nnn[n-]1 90397511 1424595972 /nfs/dbraw/zinc/59/59/72/1424595972.db2.gz LXRGBTMGHYWGKA-UHFFFAOYSA-N -1 1 181.586 0.915 20 0 ACADMM O=C(NCc1nnn[n-]1)C1CCCC1 44929445 1424599952 /nfs/dbraw/zinc/59/99/52/1424599952.db2.gz OZHVWTZUGAEASA-UHFFFAOYSA-N -1 1 195.226 0.006 20 0 ACADMM CC(C)c1nccn1Cc1nnn[n-]1 95237803 1424603749 /nfs/dbraw/zinc/60/37/49/1424603749.db2.gz IPOVDPVROYKSFW-UHFFFAOYSA-N -1 1 192.226 0.568 20 0 ACADMM CC[C@H](C)CC(=O)NCc1nnn[n-]1 164493975 1424612962 /nfs/dbraw/zinc/61/29/62/1424612962.db2.gz VPUSUVILQSEFDX-LURJTMIESA-N -1 1 197.242 0.252 20 0 ACADMM CCCCCC(=O)Nc1nnn[n-]1 5459514 1424620395 /nfs/dbraw/zinc/62/03/95/1424620395.db2.gz BVJFSVMLWQHWQS-UHFFFAOYSA-N -1 1 183.215 0.719 20 0 ACADMM C(OCC1CC1)c1nnn[n-]1 95124676 1424641187 /nfs/dbraw/zinc/64/11/87/1424641187.db2.gz QSUDTALPWOBJMX-UHFFFAOYSA-N -1 1 154.173 0.126 20 0 ACADMM CSC=CC(=O)Nc1nnn[n-]1 307021368 1424642670 /nfs/dbraw/zinc/64/26/70/1424642670.db2.gz BDNXWWXPHPZPNA-NSCUHMNNSA-N -1 1 185.212 0.015 20 0 ACADMM C[C@H](C(=O)Nc1nnn[n-]1)C1CC1 306738878 1424671417 /nfs/dbraw/zinc/67/14/17/1424671417.db2.gz AUARDYMLUSXRBE-BYPYZUCNSA-N -1 1 181.199 0.184 20 0 ACADMM O=C(C=C1CCC1)Nc1nnn[n-]1 307704081 1424704038 /nfs/dbraw/zinc/70/40/38/1424704038.db2.gz WJLJVDAYYQDKHN-UHFFFAOYSA-N -1 1 179.183 0.249 20 0 ACADMM CC(C)SCCc1nnn[n-]1 95151257 1424708879 /nfs/dbraw/zinc/70/88/79/1424708879.db2.gz VUXCSZDROPWFGH-UHFFFAOYSA-N -1 1 172.257 0.884 20 0 ACADMM CCC[C@H](C)C(=O)NCc1nnn[n-]1 44929345 1424729907 /nfs/dbraw/zinc/72/99/07/1424729907.db2.gz CWYDNQFUOPNNGE-LURJTMIESA-N -1 1 197.242 0.252 20 0 ACADMM CC(=O)CSCc1nnn[n-]1 95131219 1424730917 /nfs/dbraw/zinc/73/09/17/1424730917.db2.gz YTQWNPVGDXTRAJ-UHFFFAOYSA-N -1 1 172.213 0.022 20 0 ACADMM CC(C)[C@H](C)C(=O)Nc1nnn[n-]1 306537988 1424739439 /nfs/dbraw/zinc/73/94/39/1424739439.db2.gz LWOSBDSYUYOXTE-YFKPBYRVSA-N -1 1 183.215 0.430 20 0 ACADMM c1cc(SCc2nnn[n-]2)ccn1 306164961 1424778160 /nfs/dbraw/zinc/77/81/60/1424778160.db2.gz ASBXXOUHJROSEE-UHFFFAOYSA-N -1 1 193.235 0.887 20 0 ACADMM O=C(CC(F)(F)F)Nc1nn[n-]n1 306611936 1424796788 /nfs/dbraw/zinc/79/67/88/1424796788.db2.gz HJWIKSPDLLMGMO-UHFFFAOYSA-N -1 1 195.104 0.091 20 0 ACADMM CSC1(C(=O)Nc2nnn[n-]2)CC1 307179290 1424818001 /nfs/dbraw/zinc/81/80/01/1424818001.db2.gz IGAWHKWKFPECIK-UHFFFAOYSA-N -1 1 199.239 0.034 20 0 ACADMM Cc1nnc(SCc2nnn[n-]2)o1 95345745 1424833386 /nfs/dbraw/zinc/83/33/86/1424833386.db2.gz SWEDXPWYAWFGBZ-UHFFFAOYSA-N -1 1 198.211 0.183 20 0 ACADMM CC1(CC(=O)Nc2nnn[n-]2)CC1 307747140 1424842146 /nfs/dbraw/zinc/84/21/46/1424842146.db2.gz XOUWYMFQXAPCFB-UHFFFAOYSA-N -1 1 181.199 0.328 20 0 ACADMM O=C(Nc1nnn[n-]1)[C@@H]1CCCS1 306655796 1424857078 /nfs/dbraw/zinc/85/70/78/1424857078.db2.gz YUTMZRDGICAMNW-BYPYZUCNSA-N -1 1 199.239 0.034 20 0 ACADMM Cc1cc(C(=O)Nc2nn[n-]n2)co1 681999891 1424858961 /nfs/dbraw/zinc/85/89/61/1424858961.db2.gz ZCRPIANBTORZIY-UHFFFAOYSA-N -1 1 193.166 0.353 20 0 ACADMM O=C(Nc1nn[n-]n1)C1=CCCC1 306560888 1424867818 /nfs/dbraw/zinc/86/78/18/1424867818.db2.gz RUGGSAIETIGSTM-UHFFFAOYSA-N -1 1 179.183 0.249 20 0 ACADMM CC(C)[C@@H](C)C(=O)Nc1nnn[n-]1 306537987 1424871466 /nfs/dbraw/zinc/87/14/66/1424871466.db2.gz LWOSBDSYUYOXTE-RXMQYKEDSA-N -1 1 183.215 0.430 20 0 ACADMM CC(C)CCC(=O)Nc1nnn[n-]1 307051787 1424884542 /nfs/dbraw/zinc/88/45/42/1424884542.db2.gz JFNOXMSUXBLULP-UHFFFAOYSA-N -1 1 183.215 0.574 20 0 ACADMM COCSCCc1nnn[n-]1 882184501 1424914262 /nfs/dbraw/zinc/91/42/62/1424914262.db2.gz MEGONRVUYODFHT-UHFFFAOYSA-N -1 1 174.229 0.079 20 0 ACADMM O=C(CCC1CCC1)Nc1nnn[n-]1 674095128 1425050720 /nfs/dbraw/zinc/05/07/20/1425050720.db2.gz XNHGHDCGMQAMDX-UHFFFAOYSA-N -1 1 195.226 0.719 20 0 ACADMM CC=C(CC)C(=O)NCc1nnn[n-]1 789759358 1425071915 /nfs/dbraw/zinc/07/19/15/1425071915.db2.gz JNVKWZMZGYAGAF-ZZXKWVIFSA-N -1 1 195.226 0.172 20 0 ACADMM c1cc(COCc2nnn[n-]2)sn1 1120256895 1425139064 /nfs/dbraw/zinc/13/90/64/1425139064.db2.gz RNJGQSYFWHCABB-UHFFFAOYSA-N -1 1 197.223 0.373 20 0 ACADMM C[C@@H]1CC[C@H](C(=O)Nc2nnn[n-]2)C1 678959997 1425253662 /nfs/dbraw/zinc/25/36/62/1425253662.db2.gz MEMGWSJNQKEZEY-RITPCOANSA-N -1 1 195.226 0.574 20 0 ACADMM CC[C@@H](C)CCC(=O)Nc1nnn[n-]1 671730898 1425314567 /nfs/dbraw/zinc/31/45/67/1425314567.db2.gz RDSTVXQHKQIGTM-ZCFIWIBFSA-N -1 1 197.242 0.965 20 0 ACADMM Cc1cc(COCc2nnn[n-]2)no1 1119539829 1426116874 /nfs/dbraw/zinc/11/68/74/1426116874.db2.gz JATIKEXTMALWAB-UHFFFAOYSA-N -1 1 195.182 0.213 20 0 ACADMM O=C(Nc1nnn[n-]1)C1(F)CCCC1 773057408 1426370924 /nfs/dbraw/zinc/37/09/24/1426370924.db2.gz QALBYJJEZDWPRF-UHFFFAOYSA-N -1 1 199.189 0.421 20 0 ACADMM CN(C(=O)[C@H]1CC1(C)C)c1nnn[n-]1 892954371 1426560714 /nfs/dbraw/zinc/56/07/14/1426560714.db2.gz ISGVBUIMJMIMAD-RXMQYKEDSA-N -1 1 195.226 0.209 20 0 ACADMM O=C(Nc1nnn[n-]1)[C@H]1C[C@H]1C1CC1 674358721 1426609739 /nfs/dbraw/zinc/60/97/39/1426609739.db2.gz KRTSRLYLUBUKKX-WDSKDSINSA-N -1 1 193.210 0.184 20 0 ACADMM O=C(C=C1CCCC1)Nc1nnn[n-]1 736153835 1426659291 /nfs/dbraw/zinc/65/92/91/1426659291.db2.gz UJSVBGUUKDREHO-UHFFFAOYSA-N -1 1 193.210 0.639 20 0 ACADMM CCC[C@@H](CC)C(=O)Nc1nnn[n-]1 820076249 1426673717 /nfs/dbraw/zinc/67/37/17/1426673717.db2.gz KZWKHRTVAUYXOD-ZCFIWIBFSA-N -1 1 197.242 0.965 20 0 ACADMM COCCn1ccc(-c2nnn[n-]2)c1 826163618 1426761037 /nfs/dbraw/zinc/76/10/37/1426761037.db2.gz CKOJOQHJONTLRD-UHFFFAOYSA-N -1 1 193.210 0.315 20 0 ACADMM CC[C@@H](NCc1cocn1)C(=O)[O-] 397848302 968260105 /nfs/dbraw/zinc/26/01/05/968260105.db2.gz SXCCUTXKHQHOTR-SSDOTTSWSA-N -1 1 184.195 0.627 20 0 ACADMM CC[C@H](C)C(=O)N(C)c1nnn[n-]1 1119656237 1427337521 /nfs/dbraw/zinc/33/75/21/1427337521.db2.gz XRWFGCQGJQVBFK-YFKPBYRVSA-N -1 1 183.215 0.209 20 0 ACADMM CC[C@@H](C)[C@@H](C)C(=O)Nc1nnn[n-]1 679541004 1427546452 /nfs/dbraw/zinc/54/64/52/1427546452.db2.gz TWSCQUDDOZUKRF-PHDIDXHHSA-N -1 1 197.242 0.820 20 0 ACADMM CC[C@@H](C)[C@H](C)C(=O)Nc1nnn[n-]1 679541005 1427641460 /nfs/dbraw/zinc/64/14/60/1427641460.db2.gz TWSCQUDDOZUKRF-RITPCOANSA-N -1 1 197.242 0.820 20 0 ACADMM FCCCn1ccnc1-c1nnn[n-]1 826370418 1427741529 /nfs/dbraw/zinc/74/15/29/1427741529.db2.gz RTBMJMMQAWJWRE-UHFFFAOYSA-N -1 1 196.189 0.423 20 0 ACADMM C(COCc1nnn[n-]1)CC1CC1 1119539483 1427815709 /nfs/dbraw/zinc/81/57/09/1427815709.db2.gz HKQKVHAJQXAOTC-UHFFFAOYSA-N -1 1 182.227 0.907 20 0 ACADMM Cc1c[nH]nc1CN(C)CCC(=O)[O-] 715395213 969081328 /nfs/dbraw/zinc/08/13/28/969081328.db2.gz UXCPLKZWVBCZPF-UHFFFAOYSA-N -1 1 197.238 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/nfs/dbraw/zinc/25/79/36/1429257936.db2.gz CJDSRCQLTIMIHV-AATRIKPKSA-N -1 1 195.226 0.885 20 0 ACADMM CCNc1cnccc1-c1nnn[n-]1 825480770 1429318415 /nfs/dbraw/zinc/31/84/15/1429318415.db2.gz JVJMGZHZQRYOBU-UHFFFAOYSA-N -1 1 190.210 0.694 20 0 ACADMM CCC[C@@H](NC(=O)CC)c1nnn[n-]1 674368695 1429451744 /nfs/dbraw/zinc/45/17/44/1429451744.db2.gz KFZJLGGUQWUFOS-ZCFIWIBFSA-N -1 1 197.242 0.567 20 0 ACADMM NC(=O)c1ccc(-c2nnn[n-]2)s1 822880665 1429530372 /nfs/dbraw/zinc/53/03/72/1429530372.db2.gz XTCRTYMSUHORDF-UHFFFAOYSA-N -1 1 195.207 0.027 20 0 ACADMM CCC[C@H](C)C(=O)OCc1nnn[n-]1 1123018756 1429603344 /nfs/dbraw/zinc/60/33/44/1429603344.db2.gz MTXRPJQEOKVSIT-LURJTMIESA-N -1 1 198.226 0.679 20 0 ACADMM CC(C)Cn1ccnc1-c1nnn[n-]1 824280584 1429772145 /nfs/dbraw/zinc/77/21/45/1429772145.db2.gz PFOIEESNVOHTHZ-UHFFFAOYSA-N -1 1 192.226 0.719 20 0 ACADMM C[C@H](C(=O)[O-])C(=O)NOCC1CC1 1609700965 970467114 /nfs/dbraw/zinc/46/71/14/970467114.db2.gz JNLBXOBDEJHVBS-YFKPBYRVSA-N -1 1 187.195 0.165 20 0 ACADMM C[C@@H](C(=O)[O-])C(=O)NOCC1CC1 1609700964 970467479 /nfs/dbraw/zinc/46/74/79/970467479.db2.gz JNLBXOBDEJHVBS-RXMQYKEDSA-N -1 1 187.195 0.165 20 0 ACADMM C[C@@H](C(=O)[O-])C(=O)NOCC(F)F 1609701151 970470891 /nfs/dbraw/zinc/47/08/91/970470891.db2.gz RJYOWJQWORCVAC-GSVOUGTGSA-N -1 1 197.137 0.020 20 0 ACADMM C[C@H](C(=O)[O-])C(=O)NOCC(F)F 1609701152 970471071 /nfs/dbraw/zinc/47/10/71/970471071.db2.gz RJYOWJQWORCVAC-VKHMYHEASA-N -1 1 197.137 0.020 20 0 ACADMM Cc1nocc1CN(C)CCC(=O)[O-] 1611266183 970960807 /nfs/dbraw/zinc/96/08/07/970960807.db2.gz KZMPXZRUEOADLA-UHFFFAOYSA-N -1 1 198.222 0.890 20 0 ACADMM O=C([O-])C1CC(NC(CF)CF)C1 1601759977 971047815 /nfs/dbraw/zinc/04/78/15/971047815.db2.gz OOBJYDPECLGFFE-UHFFFAOYSA-N -1 1 193.193 0.747 20 0 ACADMM O=C([O-])CN1CCC(=O)CC12CCC2 1602060687 971130764 /nfs/dbraw/zinc/13/07/64/971130764.db2.gz OVQKMGMEFUHALC-UHFFFAOYSA-N -1 1 197.234 0.659 20 0 ACADMM CC(=O)CN1CCC[C@@H](CC(=O)[O-])C1 1602740592 971435490 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95170981 1169127406 /nfs/dbraw/zinc/12/74/06/1169127406.db2.gz OPEOSIWVLMNPLT-UHFFFAOYSA-N -1 1 170.216 0.907 20 0 ACADMM CCCCOCc1nn[n-]n1 95289020 1169129825 /nfs/dbraw/zinc/12/98/25/1169129825.db2.gz ZIJYIYIIIMVZMP-UHFFFAOYSA-N -1 1 156.189 0.516 20 0 ACADMM CCCCn1cnc(-c2nn[n-]n2)n1 95277662 1169130023 /nfs/dbraw/zinc/13/00/23/1169130023.db2.gz CAGDULDHKBPFFV-UHFFFAOYSA-N -1 1 193.214 0.258 20 0 ACADMM CNC(=O)c1cccc([O-])c1F 95720056 1169130967 /nfs/dbraw/zinc/13/09/67/1169130967.db2.gz XRZSYIXRIOCSHJ-UHFFFAOYSA-N -1 1 169.155 0.891 20 0 ACADMM CCNc1ccnc(-c2nnn[n-]2)c1 103615527 1169138014 /nfs/dbraw/zinc/13/80/14/1169138014.db2.gz CRHRVJIMKKQEGB-UHFFFAOYSA-N -1 1 190.210 0.694 20 0 ACADMM CCNc1ccnc(-c2nn[n-]n2)c1 103615527 1169138020 /nfs/dbraw/zinc/13/80/20/1169138020.db2.gz CRHRVJIMKKQEGB-UHFFFAOYSA-N -1 1 190.210 0.694 20 0 ACADMM CNc1ccnc(-c2nnn[n-]2)c1 103641718 1169138033 /nfs/dbraw/zinc/13/80/33/1169138033.db2.gz WNOBKJQMXVEBGH-UHFFFAOYSA-N -1 1 176.183 0.303 20 0 ACADMM 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O=C([O-])[C@@H](NCc1cocn1)C1CC1 397968724 973044340 /nfs/dbraw/zinc/04/43/40/973044340.db2.gz HFMKLMQWAQNUMG-QMMMGPOBSA-N -1 1 196.206 0.627 20 0 ACADMM O=C([O-])[C@H](NCc1cocn1)C1CC1 397968721 973045046 /nfs/dbraw/zinc/04/50/46/973045046.db2.gz HFMKLMQWAQNUMG-MRVPVSSYSA-N -1 1 196.206 0.627 20 0 ACADMM O=C([O-])COCCNCc1ccco1 1606278885 973660862 /nfs/dbraw/zinc/66/08/62/973660862.db2.gz KFBXSPQYEQPOEL-UHFFFAOYSA-N -1 1 199.206 0.470 20 0 ACADMM CC[C@H](CNCc1cocn1)C(=O)[O-] 1603573374 973704929 /nfs/dbraw/zinc/70/49/29/973704929.db2.gz KRVQMFDGOWDXSQ-SSDOTTSWSA-N -1 1 198.222 0.875 20 0 ACADMM CC[C@@H](CNCc1cocn1)C(=O)[O-] 1603573376 973704980 /nfs/dbraw/zinc/70/49/80/973704980.db2.gz KRVQMFDGOWDXSQ-ZETCQYMHSA-N -1 1 198.222 0.875 20 0 ACADMM N[C@@H](CC(=O)[O-])c1noc(C2CC2)n1 1605649167 974020917 /nfs/dbraw/zinc/02/09/17/974020917.db2.gz SESYWXFREFKDRK-YFKPBYRVSA-N -1 1 197.194 0.422 20 0 ACADMM Nc1nccc(NCCCC(=O)[O-])n1 1605655645 974046840 /nfs/dbraw/zinc/04/68/40/974046840.db2.gz 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987067721 /nfs/dbraw/zinc/06/77/21/987067721.db2.gz BKGZTRIZAKQOTE-ZETCQYMHSA-N -1 1 192.218 0.870 20 0 ACADMM C[C@H](C(=O)[O-])N1Cc2ccncc2C1 1589493039 987067812 /nfs/dbraw/zinc/06/78/12/987067812.db2.gz BKGZTRIZAKQOTE-SSDOTTSWSA-N -1 1 192.218 0.870 20 0 ACADMM Cc1cccc([N-]S(C)(=O)=O)n1 5260195 486709295 /nfs/dbraw/zinc/70/92/95/486709295.db2.gz UOAJDXKNECANJD-UHFFFAOYSA-N -1 1 186.236 0.762 20 0 ACADMM Cc1ccnc(NCC(=O)[O-])c1 43220221 486727365 /nfs/dbraw/zinc/72/73/65/486727365.db2.gz ZAJFVAIPCPUAQU-UHFFFAOYSA-N -1 1 166.180 0.887 20 0 ACADMM CC(C)OCCN(C)CC(=O)[O-] 49260729 486732561 /nfs/dbraw/zinc/73/25/61/486732561.db2.gz SOZZJTCZTYGKLS-UHFFFAOYSA-N -1 1 175.228 0.428 20 0 ACADMM CCCC[C@H](C)C(=O)Nc1nnn[n-]1 669705472 486733196 /nfs/dbraw/zinc/73/31/96/486733196.db2.gz XTGIAYHWYDMLOJ-LURJTMIESA-N -1 1 197.242 0.965 20 0 ACADMM CCCC[C@H](C)C(=O)Nc1nn[n-]n1 669705472 486733200 /nfs/dbraw/zinc/73/32/00/486733200.db2.gz XTGIAYHWYDMLOJ-LURJTMIESA-N -1 1 197.242 0.965 20 0 ACADMM CCCC[C@@H](C)C(=O)Nc1nnn[n-]1 669705473 486733264 /nfs/dbraw/zinc/73/32/64/486733264.db2.gz XTGIAYHWYDMLOJ-ZCFIWIBFSA-N -1 1 197.242 0.965 20 0 ACADMM CCCC[C@@H](C)C(=O)Nc1nn[n-]n1 669705473 486733267 /nfs/dbraw/zinc/73/32/67/486733267.db2.gz XTGIAYHWYDMLOJ-ZCFIWIBFSA-N -1 1 197.242 0.965 20 0 ACADMM CC[C@H](C)CCC(=O)Nc1nnn[n-]1 671730897 486755121 /nfs/dbraw/zinc/75/51/21/486755121.db2.gz RDSTVXQHKQIGTM-LURJTMIESA-N -1 1 197.242 0.965 20 0 ACADMM CC[C@H](C)CCC(=O)Nc1nn[n-]n1 671730897 486755122 /nfs/dbraw/zinc/75/51/22/486755122.db2.gz RDSTVXQHKQIGTM-LURJTMIESA-N -1 1 197.242 0.965 20 0 ACADMM CC[C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)[O-] 62454090 486766602 /nfs/dbraw/zinc/76/66/02/486766602.db2.gz KEYKAVCVWUXQMH-LURJTMIESA-N -1 1 189.211 0.256 20 0 ACADMM CC[C@H](C(=O)[O-])[N@@H+](C)CCC(=O)[O-] 62454092 486766624 /nfs/dbraw/zinc/76/66/24/486766624.db2.gz KEYKAVCVWUXQMH-ZCFIWIBFSA-N -1 1 189.211 0.256 20 0 ACADMM O=C(Nc1nnn[n-]1)[C@@H]1[C@H]2CCC[C@H]21 674011612 486786130 /nfs/dbraw/zinc/78/61/30/486786130.db2.gz BEZHTASYHDHJIF-FMCRUOTFSA-N -1 1 193.210 0.184 20 0 ACADMM O=C(Nc1nn[n-]n1)[C@@H]1[C@H]2CCC[C@H]21 674011612 486786137 /nfs/dbraw/zinc/78/61/37/486786137.db2.gz BEZHTASYHDHJIF-FMCRUOTFSA-N -1 1 193.210 0.184 20 0 ACADMM CC1(C(=O)NCc2nn[n-]n2)CCC1 674242625 486790139 /nfs/dbraw/zinc/79/01/39/486790139.db2.gz RYSUZOHOWRYHPS-UHFFFAOYSA-N -1 1 195.226 0.006 20 0 ACADMM O=C(Nc1nnn[n-]1)[C@@H]1C[C@H]1C1CC1 674358716 486795261 /nfs/dbraw/zinc/79/52/61/486795261.db2.gz KRTSRLYLUBUKKX-NTSWFWBYSA-N -1 1 193.210 0.184 20 0 ACADMM O=C(Nc1nn[n-]n1)[C@@H]1C[C@H]1C1CC1 674358716 486795266 /nfs/dbraw/zinc/79/52/66/486795266.db2.gz KRTSRLYLUBUKKX-NTSWFWBYSA-N -1 1 193.210 0.184 20 0 ACADMM CCCC1(C(=O)Nc2nnn[n-]2)CC1 675467273 486838309 /nfs/dbraw/zinc/83/83/09/486838309.db2.gz LACCOAUOGUFUAQ-UHFFFAOYSA-N -1 1 195.226 0.719 20 0 ACADMM CCCC1(C(=O)Nc2nn[n-]n2)CC1 675467273 486838313 /nfs/dbraw/zinc/83/83/13/486838313.db2.gz LACCOAUOGUFUAQ-UHFFFAOYSA-N -1 1 195.226 0.719 20 0 ACADMM Cc1nc([N-]C(=O)c2cnco2)n[nH]1 677540112 486889298 /nfs/dbraw/zinc/88/92/98/486889298.db2.gz AUVPHDDMOBQQKT-UHFFFAOYSA-N -1 1 193.166 0.353 20 0 ACADMM CC1CCN(Cc2n[nH]c(=O)[n-]2)CC1 678219554 486926586 /nfs/dbraw/zinc/92/65/86/486926586.db2.gz VFECJYPFHIZYOK-UHFFFAOYSA-N -1 1 196.254 0.742 20 0 ACADMM C[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 678219102 486927106 /nfs/dbraw/zinc/92/71/06/486927106.db2.gz KIDPGDCFYZIUHW-ZETCQYMHSA-N -1 1 196.254 0.742 20 0 ACADMM C[C@@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 678218933 486927249 /nfs/dbraw/zinc/92/72/49/486927249.db2.gz GXKKPPMSJIRIPS-SSDOTTSWSA-N -1 1 196.254 0.885 20 0 ACADMM C[C@@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 678219091 486927309 /nfs/dbraw/zinc/92/73/09/486927309.db2.gz KIDPGDCFYZIUHW-SSDOTTSWSA-N -1 1 196.254 0.742 20 0 ACADMM C[C@H]1CCCCN1Cc1n[nH]c(=O)[n-]1 678218934 486927341 /nfs/dbraw/zinc/92/73/41/486927341.db2.gz GXKKPPMSJIRIPS-ZETCQYMHSA-N -1 1 196.254 0.885 20 0 ACADMM O=c1[n-]c(CN2C3CCC2CC3)n[nH]1 678714763 486943346 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