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/nfs/dbraw/zinc/06/12/53/573061253.db2.gz VBPSKFWVBARBTE-ZXPFJRLXSA-N 0 3 164.230 -1.432 10 0 AAAEHN N[C@@H]1CC[C@@H](O)NC1=O 114095710 573061772 /nfs/dbraw/zinc/06/17/72/573061772.db2.gz MNZZKKFBIKYMGP-QWWZWVQMSA-N 0 3 130.147 -1.458 10 0 AAAEHN C[C@H](N)C[S@](=O)[C@@H](C)C(N)=O 88069128 573062638 /nfs/dbraw/zinc/06/26/38/573062638.db2.gz QRWMDUVVDCZICG-PIICZHFCSA-N 0 3 178.257 -1.044 10 0 AAAEHN C[C@@H](C(N)=O)[S@](=O)[C@H](C)CN 88067336 573061923 /nfs/dbraw/zinc/06/19/23/573061923.db2.gz ATNFIJDVPRUNNL-WOKAVZEJSA-N 0 3 178.257 -1.044 10 0 AAAEHN C[C@@H](CN)S(=O)(=O)CC(N)=O 88068472 573061987 /nfs/dbraw/zinc/06/19/87/573061987.db2.gz SDFDRBCLIWPSTD-BYPYZUCNSA-N 0 3 180.229 -1.766 10 0 AAAEHN C[C@H](CN1C[C@H](O)[C@@H](O)C1)C(N)=O 235450011 573062053 /nfs/dbraw/zinc/06/20/53/573062053.db2.gz VABOCCIHXCJWHV-VQVTYTSYSA-N 0 3 188.227 -1.855 10 0 AAAEHN N[C@@H]1CC[C@H](O)NC1=O 114095712 573062082 /nfs/dbraw/zinc/06/20/82/573062082.db2.gz MNZZKKFBIKYMGP-DMTCNVIQSA-N 0 3 130.147 -1.458 10 0 AAAEHN CNC(=O)C[S@](=O)[C@H](C)CN 88067296 573062100 /nfs/dbraw/zinc/06/21/00/573062100.db2.gz XOEFYIKINHFYKF-BLTYZCFWSA-N 0 3 178.257 -1.172 10 0 AAAEHN C[C@@H](C(N)=O)[S@@](=O)[C@H](C)CN 88067338 573062452 /nfs/dbraw/zinc/06/24/52/573062452.db2.gz ATNFIJDVPRUNNL-QWMRMABFSA-N 0 3 178.257 -1.044 10 0 AAAEHN C[C@H](N)CS(=O)(=O)CC(N)=O 88070207 573062773 /nfs/dbraw/zinc/06/27/73/573062773.db2.gz FJYYFZBYFJJIQY-BYPYZUCNSA-N 0 3 180.229 -1.766 10 0 AAAEHN C[C@@H](CN)[S@](=O)CC(N)=O 88067483 573062733 /nfs/dbraw/zinc/06/27/33/573062733.db2.gz VBPSKFWVBARBTE-MFXDVPHUSA-N 0 3 164.230 -1.432 10 0 AAAEHN [NH3+]CC[C@H](CO)c1cc(=O)[nH][n-]1 215051512 573062801 /nfs/dbraw/zinc/06/28/01/573062801.db2.gz SDWGFXARMTXLLS-RXMQYKEDSA-N 0 3 171.200 -1.180 10 0 AAAEHN CNC(=O)C[S@](=O)[C@@H](C)CN 88067295 573063738 /nfs/dbraw/zinc/06/37/38/573063738.db2.gz XOEFYIKINHFYKF-ULHQUTTKSA-N 0 3 178.257 -1.172 10 0 AAAEHN C[C@@H](N)CS(=O)(=O)CC(N)=O 88070208 573063798 /nfs/dbraw/zinc/06/37/98/573063798.db2.gz 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573066706 /nfs/dbraw/zinc/06/67/06/573066706.db2.gz RSHINDBAUNILFQ-DMTCNVIQSA-N 0 3 112.132 -1.153 10 0 AAAEHN OC[C@@H]1N[C@H](O)[C@H](O)[C@@H]1O 104611540 573067203 /nfs/dbraw/zinc/06/72/03/573067203.db2.gz CPAQBJHECUWPEN-NRXMZTRTSA-N 0 3 149.146 -3.009 10 0 AAAEHN CN(N)CCNCCO 104610637 573070107 /nfs/dbraw/zinc/07/01/07/573070107.db2.gz SXAKGVUIJYGIJW-UHFFFAOYSA-N 0 3 133.195 -1.626 10 0 AAAEHN CN(N)C(=[NH2+])[N-]C=O 104609782 573070124 /nfs/dbraw/zinc/07/01/24/573070124.db2.gz VONZPHKJNOFNJJ-UHFFFAOYSA-N 0 3 116.124 -1.527 10 0 AAAEHN CC[C@H]1C[C@]1(N)[C@@H](O)C(N)=O 238267556 573072634 /nfs/dbraw/zinc/07/26/34/573072634.db2.gz AFJGRGAUZBBRBU-KZLJYQGOSA-N 0 3 158.201 -1.040 10 0 AAAEHN C[C@@H](O)CNCC(=O)NCC(N)=O 308250638 573073380 /nfs/dbraw/zinc/07/33/80/573073380.db2.gz HGFVERLUDYHGLJ-RXMQYKEDSA-N 0 3 189.215 -2.442 10 0 AAAEHN CCO[C@@H]1O[C@H](CO)[C@@H](O)C[C@@H]1N 238269204 573075793 /nfs/dbraw/zinc/07/57/93/573075793.db2.gz JRTYDYAOBWKTIQ-RULNZFCNSA-N 0 3 191.227 -1.182 10 0 AAAEHN C[C@H](O)CNCC(=O)NCC(N)=O 308250642 573075933 /nfs/dbraw/zinc/07/59/33/573075933.db2.gz HGFVERLUDYHGLJ-YFKPBYRVSA-N 0 3 189.215 -2.442 10 0 AAAEHN COC[C@](C)(NC[C@H](C)O)C(N)=O 308251557 573077783 /nfs/dbraw/zinc/07/77/83/573077783.db2.gz FSBKJPZGOCMGGT-XPUUQOCRSA-N 0 3 190.243 -1.153 10 0 AAAEHN COC[C@@](C)(NC[C@H](C)O)C(N)=O 308251555 573078319 /nfs/dbraw/zinc/07/83/19/573078319.db2.gz FSBKJPZGOCMGGT-POYBYMJQSA-N 0 3 190.243 -1.153 10 0 AAAEHN NC(=O)CN[C@H]1CCC(=O)NC1 82515537 573078326 /nfs/dbraw/zinc/07/83/26/573078326.db2.gz YWXDDNMCCGUIMZ-YFKPBYRVSA-N 0 3 171.200 -1.660 10 0 AAAEHN COC[C@](C)(NC[C@@H](C)O)C(N)=O 308251556 573078770 /nfs/dbraw/zinc/07/87/70/573078770.db2.gz FSBKJPZGOCMGGT-SVRRBLITSA-N 0 3 190.243 -1.153 10 0 AAAEHN C[C@@H]1N[C@@H](O)[C@@H](O)[C@@H]1O 104617918 573079192 /nfs/dbraw/zinc/07/91/92/573079192.db2.gz WENLKNVMKLPOQC-QTBDOELSSA-N 0 3 133.147 -1.982 10 0 AAAEHN N=C(CNCC1(CO)COC1)NO 717592115 573080312 /nfs/dbraw/zinc/08/03/12/573080312.db2.gz 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573084867 /nfs/dbraw/zinc/08/48/67/573084867.db2.gz OZWCPNDFNQEAKU-RITPCOANSA-N 0 3 185.227 -1.272 10 0 AAAEHN C[C@H](N)C(=O)N[C@@H]1CCC(=O)NC1 82515798 573085002 /nfs/dbraw/zinc/08/50/02/573085002.db2.gz JDWPHZQSNWHCQD-NTSWFWBYSA-N 0 3 185.227 -1.272 10 0 AAAEHN CN[C@H](C)C(=O)N[C@@H]1CCC(=O)NC1 82516907 573085110 /nfs/dbraw/zinc/08/51/10/573085110.db2.gz JTAMOVNXFDZXGB-RNFRBKRXSA-N 0 3 199.254 -1.011 10 0 AAAEHN CNC(=O)CN[C@@H]1CCC(=O)NC1 82515918 573085731 /nfs/dbraw/zinc/08/57/31/573085731.db2.gz ZBSUYIZYYYKCQF-ZCFIWIBFSA-N 0 3 185.227 -1.399 10 0 AAAEHN CNC(=O)[C@H](C)N[C@H]1CCC(=O)NC1 82515930 573086040 /nfs/dbraw/zinc/08/60/40/573086040.db2.gz JYWGTSJXWMAQGI-BQBZGAKWSA-N 0 3 199.254 -1.011 10 0 AAAEHN CN[C@@H](C)C(=O)N[C@@H]1CCC(=O)NC1 82516906 573086373 /nfs/dbraw/zinc/08/63/73/573086373.db2.gz JTAMOVNXFDZXGB-NKWVEPMBSA-N 0 3 199.254 -1.011 10 0 AAAEHN CN[C@H](C)C(=O)N[C@H]1CCC(=O)NC1 82515783 573086463 /nfs/dbraw/zinc/08/64/63/573086463.db2.gz JTAMOVNXFDZXGB-RQJHMYQMSA-N 0 3 199.254 -1.011 10 0 AAAEHN C[C@@H](N)C(=O)N[C@H]1CCC(=O)NC1 82515813 573086775 /nfs/dbraw/zinc/08/67/75/573086775.db2.gz JDWPHZQSNWHCQD-RITPCOANSA-N 0 3 185.227 -1.272 10 0 AAAEHN C[C@H](N[C@@H]1CCC(=O)NC1)C(N)=O 82516841 573087193 /nfs/dbraw/zinc/08/71/93/573087193.db2.gz OZWCPNDFNQEAKU-NTSWFWBYSA-N 0 3 185.227 -1.272 10 0 AAAEHN CCNCC(=O)N[C@@H]1CCC(=O)NC1 82515968 573087403 /nfs/dbraw/zinc/08/74/03/573087403.db2.gz RQYIWTLQKNCYCO-SSDOTTSWSA-N 0 3 199.254 -1.009 10 0 AAAEHN CN[C@@H](C)C(=O)N[C@H]1CCC(=O)NC1 82516908 573087482 /nfs/dbraw/zinc/08/74/82/573087482.db2.gz JTAMOVNXFDZXGB-BQBZGAKWSA-N 0 3 199.254 -1.011 10 0 AAAEHN CN[C@@H](C)NC(=O)C(=O)OC 257942525 573088625 /nfs/dbraw/zinc/08/86/25/573088625.db2.gz LRQSXWRQJJLPBF-SCSAIBSYSA-N 0 3 160.173 -1.159 10 0 AAAEHN CC(O)(O)N1CCNCC1 104625123 573089071 /nfs/dbraw/zinc/08/90/71/573089071.db2.gz WDLWSNOKHZEQHV-UHFFFAOYSA-N 0 3 146.190 -1.450 10 0 AAAEHN O[C@@H]1CN[C@H](O)[C@H](O)C1 104625464 573089265 /nfs/dbraw/zinc/08/92/65/573089265.db2.gz LANMTVGMTWKLTK-VPENINKCSA-N 0 3 133.147 -1.980 10 0 AAAEHN O[C@@H]1CN[C@@H](O)[C@H](O)C1 104625467 573089438 /nfs/dbraw/zinc/08/94/38/573089438.db2.gz LANMTVGMTWKLTK-LMVFSUKVSA-N 0 3 133.147 -1.980 10 0 AAAEHN CN1CCN(C[C@H](N)CO)C(=O)C1 215071500 573089441 /nfs/dbraw/zinc/08/94/41/573089441.db2.gz FFRIIGVNMVTLJJ-ZETCQYMHSA-N 0 3 187.243 -1.920 10 0 AAAEHN O=C1C[C@H]2NC[C@@H](O)[C@H]2O1 104624376 573089477 /nfs/dbraw/zinc/08/94/77/573089477.db2.gz JSRSQCXJHAYWSZ-KODRXGBYSA-N 0 3 143.142 -1.365 10 0 AAAEHN C[C@@H]1CNC(=O)N(C[C@H](N)CO)C1 215070860 573089519 /nfs/dbraw/zinc/08/95/19/573089519.db2.gz LSWWYNRKPRAXDN-RQJHMYQMSA-N 0 3 187.243 -1.033 10 0 AAAEHN N[C@@H](CO)CN1CCNC(=O)C1=O 215070574 573089622 /nfs/dbraw/zinc/08/96/22/573089622.db2.gz ZFERQNKJMGBUKX-RXMQYKEDSA-N 0 3 187.199 -2.736 10 0 AAAEHN [NH3+][C@H](CO)CN1CC(=O)[N-]C1=O 215066402 573089651 /nfs/dbraw/zinc/08/96/51/573089651.db2.gz XTTCAFGVFICSJT-BYPYZUCNSA-N 0 3 173.172 -2.142 10 0 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