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/nfs/dbraw/zinc/47/81/87/409478187.db2.gz ZHRUACXTEKYSMI-IUCAKERBSA-N 1 1 199.298 -0.256 20 0 ABADMO C[N@@H+](CC(=O)NCCO)C1CCC1 127680926 409478453 /nfs/dbraw/zinc/47/84/53/409478453.db2.gz CFWXNJSVDHWHPT-UHFFFAOYSA-N 1 1 186.255 -0.421 20 0 ABADMO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CN(C)C 126829369 409478498 /nfs/dbraw/zinc/47/84/98/409478498.db2.gz ZHRUACXTEKYSMI-BDAKNGLRSA-N 1 1 199.298 -0.256 20 0 ABADMO C[C@H]1C[C@H](C[NH3+])CN1C(=O)CN(C)C 126829174 409478786 /nfs/dbraw/zinc/47/87/86/409478786.db2.gz ZHRUACXTEKYSMI-DTWKUNHWSA-N 1 1 199.298 -0.256 20 0 ABADMO C[C@@H](C(N)=O)N1C[C@@H](C[NH3+])C[C@H]1C 126935519 409478860 /nfs/dbraw/zinc/47/88/60/409478860.db2.gz WJLZDMTTYCGPGY-GJMOJQLCSA-N 1 1 185.271 -0.471 20 0 ABADMO C[C@@H](C(N)=O)N1C[C@H](C[NH3+])C[C@H]1C 126935994 409479038 /nfs/dbraw/zinc/47/90/38/409479038.db2.gz WJLZDMTTYCGPGY-CSMHCCOUSA-N 1 1 185.271 -0.471 20 0 ABADMO Cc1c[nH]c(C[NH2+][C@H](CO)[C@@H](C)O)n1 657490668 409479822 /nfs/dbraw/zinc/47/98/22/409479822.db2.gz PQPWFODIXCLVTO-HTQZYQBOSA-N 1 1 199.254 -0.451 20 0 ABADMO C[N@@H+](CCO)C[C@@H]1COCCO1 133750777 409497200 /nfs/dbraw/zinc/49/72/00/409497200.db2.gz LQTQKGAGOIXASI-MRVPVSSYSA-N 1 1 175.228 -0.674 20 0 ABADMO C[N@@H+](CCO)C[C@H]1COCCO1 133750983 409497288 /nfs/dbraw/zinc/49/72/88/409497288.db2.gz LQTQKGAGOIXASI-QMMMGPOBSA-N 1 1 175.228 -0.674 20 0 ABADMO COCCCNc1nc(N)nc(N)[nH+]1 200945339 409509518 /nfs/dbraw/zinc/50/95/18/409509518.db2.gz CUJCMQSDCYMUQA-UHFFFAOYSA-N 1 1 198.230 -0.516 20 0 ABADMO COC(=O)[C@@H](C)[N@H+](C)CCCO 200894525 409509618 /nfs/dbraw/zinc/50/96/18/409509618.db2.gz GCLIKPJWMHMDKN-SSDOTTSWSA-N 1 1 175.228 -0.138 20 0 ABADMO COC(=O)[C@@H](C)[N@@H+](C)CCCO 200894525 409509621 /nfs/dbraw/zinc/50/96/21/409509621.db2.gz GCLIKPJWMHMDKN-SSDOTTSWSA-N 1 1 175.228 -0.138 20 0 ABADMO CNC(=O)C[N@@H+]1CCCOCC1 202107110 409510089 /nfs/dbraw/zinc/51/00/89/409510089.db2.gz BSJGLXSBZHNHDB-UHFFFAOYSA-N 1 1 172.228 -0.545 20 0 ABADMO CNC(=O)C[N@H+]1CCCOCC1 202107110 409510092 /nfs/dbraw/zinc/51/00/92/409510092.db2.gz BSJGLXSBZHNHDB-UHFFFAOYSA-N 1 1 172.228 -0.545 20 0 ABADMO CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH3+] 212584651 409512121 /nfs/dbraw/zinc/51/21/21/409512121.db2.gz DCHJPQBGKLEXGF-SECBINFHSA-N 1 1 199.298 -0.064 20 0 ABADMO CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH3+] 212584710 409512178 /nfs/dbraw/zinc/51/21/78/409512178.db2.gz DCHJPQBGKLEXGF-VIFPVBQESA-N 1 1 199.298 -0.064 20 0 ABADMO C[C@H]1CN([C@H](C)C(N)=O)C[C@@H](C)[N@@H+]1C 219275673 409516469 /nfs/dbraw/zinc/51/64/69/409516469.db2.gz LBGZPBXIOSENPC-HRDYMLBCSA-N 1 1 199.298 -0.115 20 0 ABADMO C[C@H]1C[N@@H+]([C@H](C)C(N)=O)C[C@@H](C)N1C 219275673 409516482 /nfs/dbraw/zinc/51/64/82/409516482.db2.gz LBGZPBXIOSENPC-HRDYMLBCSA-N 1 1 199.298 -0.115 20 0 ABADMO C[C@H]1C[N@H+]([C@H](C)C(N)=O)C[C@@H](C)N1C 219275673 409516488 /nfs/dbraw/zinc/51/64/88/409516488.db2.gz LBGZPBXIOSENPC-HRDYMLBCSA-N 1 1 199.298 -0.115 20 0 ABADMO CC(=O)N1CC[N@@H+](C)C[C@@H]1CO 219895752 409516616 /nfs/dbraw/zinc/51/66/16/409516616.db2.gz VVZDEHFUYAQMBW-MRVPVSSYSA-N 1 1 172.228 -0.859 20 0 ABADMO CC(=O)N1CC[N@H+](C)C[C@@H]1CO 219895752 409516619 /nfs/dbraw/zinc/51/66/19/409516619.db2.gz VVZDEHFUYAQMBW-MRVPVSSYSA-N 1 1 172.228 -0.859 20 0 ABADMO CC(=O)N1CC[N@@H+](C)C[C@H]1CO 219895786 409517644 /nfs/dbraw/zinc/51/76/44/409517644.db2.gz VVZDEHFUYAQMBW-QMMMGPOBSA-N 1 1 172.228 -0.859 20 0 ABADMO CC(=O)N1CC[N@H+](C)C[C@H]1CO 219895786 409517648 /nfs/dbraw/zinc/51/76/48/409517648.db2.gz VVZDEHFUYAQMBW-QMMMGPOBSA-N 1 1 172.228 -0.859 20 0 ABADMO CNC(=O)[C@@H](C)C[N@H+](C)C[C@H](C)N 300212936 409532118 /nfs/dbraw/zinc/53/21/18/409532118.db2.gz IUWMCEZSEJVWTL-YUMQZZPRSA-N 1 1 187.287 -0.353 20 0 ABADMO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H](C)N 300212936 409532123 /nfs/dbraw/zinc/53/21/23/409532123.db2.gz IUWMCEZSEJVWTL-YUMQZZPRSA-N 1 1 187.287 -0.353 20 0 ABADMO CNC(=O)[C@H](C)C[N@H+](C)C[C@H](C)N 300212935 409532505 /nfs/dbraw/zinc/53/25/05/409532505.db2.gz IUWMCEZSEJVWTL-SFYZADRCSA-N 1 1 187.287 -0.353 20 0 ABADMO CNC(=O)[C@H](C)C[N@@H+](C)C[C@H](C)N 300212935 409532506 /nfs/dbraw/zinc/53/25/06/409532506.db2.gz IUWMCEZSEJVWTL-SFYZADRCSA-N 1 1 187.287 -0.353 20 0 ABADMO CC(C)[C@@H](O)C[N@@H+](C)CCO 300822897 409535408 /nfs/dbraw/zinc/53/54/08/409535408.db2.gz AYPZHYXLTKVVGA-QMMMGPOBSA-N 1 1 161.245 -0.073 20 0 ABADMO CC(C)[C@H](O)C[N@@H+](C)CCO 300822895 409536075 /nfs/dbraw/zinc/53/60/75/409536075.db2.gz AYPZHYXLTKVVGA-MRVPVSSYSA-N 1 1 161.245 -0.073 20 0 ABADMO CNC(=O)CC[N@@H+](C)CCCO 300752082 409538250 /nfs/dbraw/zinc/53/82/50/409538250.db2.gz HLEJVTWCGTUHTB-UHFFFAOYSA-N 1 1 174.244 -0.563 20 0 ABADMO CC(C)[C@@H](O)C[N@H+]1C[C@H](O)[C@H](O)C1 300922549 409541238 /nfs/dbraw/zinc/54/12/38/409541238.db2.gz UNNYTDGMSMWMFV-XHNCKOQMSA-N 1 1 189.255 -0.959 20 0 ABADMO CC(C)[C@H](O)C[N@H+]1C[C@H](O)[C@H](O)C1 300922541 409541319 /nfs/dbraw/zinc/54/13/19/409541319.db2.gz UNNYTDGMSMWMFV-HLTSFMKQSA-N 1 1 189.255 -0.959 20 0 ABADMO CCN1CC[C@@H]([N@@H+](C)CCO)C1=O 659833912 409547351 /nfs/dbraw/zinc/54/73/51/409547351.db2.gz JIZCAIWTPVHNJQ-MRVPVSSYSA-N 1 1 186.255 -0.469 20 0 ABADMO CC[NH+]1CCN(Cc2nc[nH]n2)CC1 659827597 409547393 /nfs/dbraw/zinc/54/73/93/409547393.db2.gz SIFGYRHWRCWEPN-UHFFFAOYSA-N 1 1 195.270 -0.058 20 0 ABADMO CCN1CC[C@H]([N@@H+](C)CCO)C1=O 659833913 409547733 /nfs/dbraw/zinc/54/77/33/409547733.db2.gz JIZCAIWTPVHNJQ-QMMMGPOBSA-N 1 1 186.255 -0.469 20 0 ABADMO O=C1C[C@H](C[N@H+]2CCCOCC2)CN1 659859912 409555222 /nfs/dbraw/zinc/55/52/22/409555222.db2.gz PYOOMPVSPPJRPY-VIFPVBQESA-N 1 1 198.266 -0.155 20 0 ABADMO O=C1C[C@@H](C[N@H+]2CCCOCC2)CN1 659859911 409555279 /nfs/dbraw/zinc/55/52/79/409555279.db2.gz PYOOMPVSPPJRPY-SECBINFHSA-N 1 1 198.266 -0.155 20 0 ABADMO COCC[N@@H+](C)CCc1c[nH]nn1 659848910 409556504 /nfs/dbraw/zinc/55/65/04/409556504.db2.gz JVIJIDSVNHBFLW-UHFFFAOYSA-N 1 1 184.243 -0.075 20 0 ABADMO COCC[N@H+](C)CCc1cn[nH]n1 659848910 409556513 /nfs/dbraw/zinc/55/65/13/409556513.db2.gz JVIJIDSVNHBFLW-UHFFFAOYSA-N 1 1 184.243 -0.075 20 0 ABADMO COCC[N@@H+](C)CCc1cn[nH]n1 659848910 409556522 /nfs/dbraw/zinc/55/65/22/409556522.db2.gz JVIJIDSVNHBFLW-UHFFFAOYSA-N 1 1 184.243 -0.075 20 0 ABADMO CC1(C)C[NH2+][C@@H]1C(=O)N1CCNCC1 306364146 409562031 /nfs/dbraw/zinc/56/20/31/409562031.db2.gz AGTLWMFCYJXTAH-MRVPVSSYSA-N 1 1 197.282 -0.584 20 0 ABADMO CC1(C)C[NH2+][C@H]1C(=O)N1CCNCC1 306364158 409560491 /nfs/dbraw/zinc/56/04/91/409560491.db2.gz AGTLWMFCYJXTAH-QMMMGPOBSA-N 1 1 197.282 -0.584 20 0 ABADMO C[C@@H](C(=O)N1CCC([NH3+])CC1)N(C)C 306363957 409561112 /nfs/dbraw/zinc/56/11/12/409561112.db2.gz ZZXSAYJDRHYHBW-QMMMGPOBSA-N 1 1 199.298 -0.114 20 0 ABADMO COC[C@H](C[N@H+]1CC[C@H](O)C1)OC 659880200 409563000 /nfs/dbraw/zinc/56/30/00/409563000.db2.gz IYHVSZYCTJGAGM-IUCAKERBSA-N 1 1 189.255 -0.286 20 0 ABADMO CCN1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1=O 659879906 409563632 /nfs/dbraw/zinc/56/36/32/409563632.db2.gz FJSFHGCLQQJSNK-BDAKNGLRSA-N 1 1 198.266 -0.326 20 0 ABADMO COC[C@@H](C[N@H+]1CC[C@H](O)C1)OC 659880199 409563486 /nfs/dbraw/zinc/56/34/86/409563486.db2.gz IYHVSZYCTJGAGM-DTWKUNHWSA-N 1 1 189.255 -0.286 20 0 ABADMO C[C@H]([NH3+])[C@H](C)C(=O)N1CCNC[C@@H]1C 306421979 409563487 /nfs/dbraw/zinc/56/34/87/409563487.db2.gz FEVICXDOQQKKAP-CIUDSAMLSA-N 1 1 199.298 -0.210 20 0 ABADMO CCN1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1=O 659879908 409563504 /nfs/dbraw/zinc/56/35/04/409563504.db2.gz FJSFHGCLQQJSNK-DTWKUNHWSA-N 1 1 198.266 -0.326 20 0 ABADMO C[C@H]([NH3+])[C@@H](C)C(=O)N1CCNC[C@@H]1C 306421984 409563533 /nfs/dbraw/zinc/56/35/33/409563533.db2.gz FEVICXDOQQKKAP-YIZRAAEISA-N 1 1 199.298 -0.210 20 0 ABADMO COC[C@H](C[N@H+]1CC[C@@H](O)C1)OC 659880198 409563652 /nfs/dbraw/zinc/56/36/52/409563652.db2.gz IYHVSZYCTJGAGM-BDAKNGLRSA-N 1 1 189.255 -0.286 20 0 ABADMO CCN1CC[C@H]([N@H+]2CC[C@H](O)C2)C1=O 659879911 409564033 /nfs/dbraw/zinc/56/40/33/409564033.db2.gz FJSFHGCLQQJSNK-IUCAKERBSA-N 1 1 198.266 -0.326 20 0 ABADMO C[C@H]([NH3+])[C@@H](C)C(=O)N1CCNC[C@H]1C 306421980 409564870 /nfs/dbraw/zinc/56/48/70/409564870.db2.gz FEVICXDOQQKKAP-HLTSFMKQSA-N 1 1 199.298 -0.210 20 0 ABADMO COC[C@@H](C[N@H+]1CC[C@@H](O)C1)OC 659880201 409564966 /nfs/dbraw/zinc/56/49/66/409564966.db2.gz IYHVSZYCTJGAGM-RKDXNWHRSA-N 1 1 189.255 -0.286 20 0 ABADMO CCN1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1=O 659879912 409566111 /nfs/dbraw/zinc/56/61/11/409566111.db2.gz FJSFHGCLQQJSNK-RKDXNWHRSA-N 1 1 198.266 -0.326 20 0 ABADMO C[C@@H]1CNCCN1C(=O)[C@H]1CCC[NH2+]1 306404552 409566155 /nfs/dbraw/zinc/56/61/55/409566155.db2.gz VQSAYZMPZVVNDZ-RKDXNWHRSA-N 1 1 197.282 -0.441 20 0 ABADMO C[C@H]([NH3+])[C@H](C)C(=O)N1CCNC[C@H]1C 306421982 409566267 /nfs/dbraw/zinc/56/62/67/409566267.db2.gz FEVICXDOQQKKAP-VGMNWLOBSA-N 1 1 199.298 -0.210 20 0 ABADMO C[C@H](O)C[N@@H+](C)CCc1c[nH]nn1 659951827 409569547 /nfs/dbraw/zinc/56/95/47/409569547.db2.gz FITSRMZBLBOJHD-ZETCQYMHSA-N 1 1 184.243 -0.340 20 0 ABADMO C[C@H](O)C[N@H+](C)CCc1cn[nH]n1 659951827 409569556 /nfs/dbraw/zinc/56/95/56/409569556.db2.gz 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LTVGGAAIVHDFQV-DTWKUNHWSA-N 1 1 189.255 -0.814 20 0 ABADMO C[C@@H](O)C[NH2+]C[C@H](N)CC(F)F 1334827921 1170347449 /nfs/dbraw/zinc/34/74/49/1170347449.db2.gz MUGYFSKBVICKMW-PHDIDXHHSA-N 1 1 182.214 -0.061 20 0 ABADMO C[C@@H](O)C[NH2+]C[C@@H](N)CC(F)F 1334827927 1170347665 /nfs/dbraw/zinc/34/76/65/1170347665.db2.gz MUGYFSKBVICKMW-RITPCOANSA-N 1 1 182.214 -0.061 20 0 ABADMO CCN[C@@H]1C[NH2+]CCOC1 1335252260 1170349697 /nfs/dbraw/zinc/34/96/97/1170349697.db2.gz NIUJKLZSIARSHV-SSDOTTSWSA-N 1 1 144.218 -0.416 20 0 ABADMO O=C1NCCN1CC[N@@H+]1CC[C@H]1CO 1335243143 1170349842 /nfs/dbraw/zinc/34/98/42/1170349842.db2.gz HKYQQLGRVLDLCN-QMMMGPOBSA-N 1 1 199.254 -0.922 20 0 ABADMO CCN[C@H]1C[NH2+]CCOC1 1335252261 1170350912 /nfs/dbraw/zinc/35/09/12/1170350912.db2.gz NIUJKLZSIARSHV-ZETCQYMHSA-N 1 1 144.218 -0.416 20 0 ABADMO C[N@H+]1CC[C@@H]2CN(C(=O)CCO)C[C@@H]21 1335254862 1170351642 /nfs/dbraw/zinc/35/16/42/1170351642.db2.gz LLAFLDXQYYOXDV-BDAKNGLRSA-N 1 1 198.266 -0.469 20 0 ABADMO O=C1NCCN1CC[N@@H+]1CC[C@@H]1CO 1335243142 1170351955 /nfs/dbraw/zinc/35/19/55/1170351955.db2.gz HKYQQLGRVLDLCN-MRVPVSSYSA-N 1 1 199.254 -0.922 20 0 ABADMO C[C@H](O)[C@@H](O)C[N@H+]1CC[C@H](CO)C1 1335710788 1170358213 /nfs/dbraw/zinc/35/82/13/1170358213.db2.gz LDNINDRGOKEZJV-CIUDSAMLSA-N 1 1 189.255 -0.958 20 0 ABADMO C[C@H](O)[C@@H](O)C[N@H+]1CC[C@@H](CO)C1 1335710791 1170358963 /nfs/dbraw/zinc/35/89/63/1170358963.db2.gz LDNINDRGOKEZJV-YIZRAAEISA-N 1 1 189.255 -0.958 20 0 ABADMO C[C@H](O)[C@H](O)C[N@H+]1CC[C@@H](CO)C1 1335710789 1170359177 /nfs/dbraw/zinc/35/91/77/1170359177.db2.gz LDNINDRGOKEZJV-DJLDLDEBSA-N 1 1 189.255 -0.958 20 0 ABADMO C[C@H](O)[C@H](O)C[N@H+]1CC[C@H](CO)C1 1335710790 1170359343 /nfs/dbraw/zinc/35/93/43/1170359343.db2.gz LDNINDRGOKEZJV-XHNCKOQMSA-N 1 1 189.255 -0.958 20 0 ABADMO CC[C@H](CO)[NH2+][C@H](C)c1nnnn1C 1335927490 1170360745 /nfs/dbraw/zinc/36/07/45/1170360745.db2.gz JLXXHHATLZLASX-RNFRBKRXSA-N 1 1 199.258 -0.368 20 0 ABADMO CC[C@@H](CO)[NH2+][C@@H](C)c1nnnn1C 1335927488 1170361101 /nfs/dbraw/zinc/36/11/01/1170361101.db2.gz JLXXHHATLZLASX-BQBZGAKWSA-N 1 1 199.258 -0.368 20 0 ABADMO CC[C@@H](CO)[NH2+][C@H](C)c1nnnn1C 1335927491 1170361835 /nfs/dbraw/zinc/36/18/35/1170361835.db2.gz JLXXHHATLZLASX-RQJHMYQMSA-N 1 1 199.258 -0.368 20 0 ABADMO C[C@H](Cc1cnc[nH]1)C(=O)NCC[NH3+] 1335845584 1170362482 /nfs/dbraw/zinc/36/24/82/1170362482.db2.gz NRKXXDFPSLEOED-SSDOTTSWSA-N 1 1 196.254 -0.337 20 0 ABADMO C[C@@H](Cc1cnc[nH]1)C(=O)NCC[NH3+] 1335845585 1170363049 /nfs/dbraw/zinc/36/30/49/1170363049.db2.gz NRKXXDFPSLEOED-ZETCQYMHSA-N 1 1 196.254 -0.337 20 0 ABADMO CC[C@H](CO)[NH2+][C@@H](C)c1nnnn1C 1335927489 1170363083 /nfs/dbraw/zinc/36/30/83/1170363083.db2.gz JLXXHHATLZLASX-NKWVEPMBSA-N 1 1 199.258 -0.368 20 0 ABADMO CC[C@H](O)C[NH2+]Cc1nccc(N)n1 1335986089 1170366158 /nfs/dbraw/zinc/36/61/58/1170366158.db2.gz JEIRPRLOMNPVJM-ZETCQYMHSA-N 1 1 196.254 -0.081 20 0 ABADMO CC[C@@H](O)C[NH2+]Cc1nccc(N)n1 1335986088 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198.270 -0.139 20 0 ABADMO CN(C)C1=NO[C@@]2(CCC[N@@H+](C)C2)N1 1339230065 1170418152 /nfs/dbraw/zinc/41/81/52/1170418152.db2.gz VXAGIXGWIZEFPP-SECBINFHSA-N 1 1 198.270 -0.139 20 0 ABADMO CN(C)C1=NO[C@]2(CCC[N@H+](C)C2)N1 1339230067 1170418663 /nfs/dbraw/zinc/41/86/63/1170418663.db2.gz VXAGIXGWIZEFPP-VIFPVBQESA-N 1 1 198.270 -0.139 20 0 ABADMO CN(C)C1=NO[C@]2(CCC[N@@H+](C)C2)N1 1339230067 1170418668 /nfs/dbraw/zinc/41/86/68/1170418668.db2.gz VXAGIXGWIZEFPP-VIFPVBQESA-N 1 1 198.270 -0.139 20 0 ABADMO C[NH2+]CCNC(=O)c1cnncc1O 1339710545 1170422270 /nfs/dbraw/zinc/42/22/70/1170422270.db2.gz RBELQWYUFKIDNK-UHFFFAOYSA-N 1 1 196.210 -0.869 20 0 ABADMO C[C@H]1C[C@@H]([NH2+]CCO)c2ncnn21 1339961672 1170422371 /nfs/dbraw/zinc/42/23/71/1170422371.db2.gz STUYZZGHNINPIH-NKWVEPMBSA-N 1 1 182.227 -0.134 20 0 ABADMO C[C@@H]1C[C@@H]([NH2+]CCO)c2ncnn21 1339961673 1170422401 /nfs/dbraw/zinc/42/24/01/1170422401.db2.gz STUYZZGHNINPIH-RNFRBKRXSA-N 1 1 182.227 -0.134 20 0 ABADMO 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1170518395 /nfs/dbraw/zinc/51/83/95/1170518395.db2.gz MAHMSFALRLWUMH-OCAPTIKFSA-N 1 1 198.222 -0.480 20 0 ABADMO COCC[N@@H+](C)C[C@H]1CNC(=O)C1 1350358485 1170518532 /nfs/dbraw/zinc/51/85/32/1170518532.db2.gz LVWBENYKBVBSHG-MRVPVSSYSA-N 1 1 186.255 -0.299 20 0 ABADMO COCC[N@@H+](C)C[C@@H]1CNC(=O)C1 1350358486 1170518614 /nfs/dbraw/zinc/51/86/14/1170518614.db2.gz LVWBENYKBVBSHG-QMMMGPOBSA-N 1 1 186.255 -0.299 20 0 ABADMO O=C1CC[C@@H]2C[N@@H+](CCO)CC[C@@H]2N1 1350387816 1170518859 /nfs/dbraw/zinc/51/88/59/1170518859.db2.gz UJZICNTYQIOAHU-BDAKNGLRSA-N 1 1 198.266 -0.421 20 0 ABADMO [NH3+]C1(CNCCO)CCC1 1350911529 1170522009 /nfs/dbraw/zinc/52/20/09/1170522009.db2.gz ZMJFPNQSDVOVBG-UHFFFAOYSA-N 1 1 144.218 -0.550 20 0 ABADMO NC1(C[NH2+]CCO)CCC1 1350911529 1170522012 /nfs/dbraw/zinc/52/20/12/1170522012.db2.gz ZMJFPNQSDVOVBG-UHFFFAOYSA-N 1 1 144.218 -0.550 20 0 ABADMO Cc1ncoc1C[NH2+][C@@H]1COC[C@H]1O 1350891625 1170523362 /nfs/dbraw/zinc/52/33/62/1170523362.db2.gz ZQNJKEDBFMLYTA-HTQZYQBOSA-N 1 1 198.222 -0.168 20 0 ABADMO O=C(C[NH+]1CCCC1)Nn1cnnc1 1352216774 1170530904 /nfs/dbraw/zinc/53/09/04/1170530904.db2.gz MFDMSHKZXBLCGG-UHFFFAOYSA-N 1 1 195.226 -0.556 20 0 ABADMO Cc1nc(CC(=O)NC[C@H](C)[NH3+])n[nH]1 1353633563 1170538819 /nfs/dbraw/zinc/53/88/19/1170538819.db2.gz LKARLZCJEAEHCL-YFKPBYRVSA-N 1 1 197.242 -0.881 20 0 ABADMO Cc1nc(CC(=O)NC[C@@H](C)[NH3+])n[nH]1 1353633559 1170538916 /nfs/dbraw/zinc/53/89/16/1170538916.db2.gz LKARLZCJEAEHCL-RXMQYKEDSA-N 1 1 197.242 -0.881 20 0 ABADMO Nc1cc(N[C@@H]2CC[C@H]2O)nc[nH+]1 1354226393 1170546551 /nfs/dbraw/zinc/54/65/51/1170546551.db2.gz MPNHJKXYDNVJRC-PHDIDXHHSA-N 1 1 180.211 -0.006 20 0 ABADMO Nc1cc(N[C@@H]2CC[C@H]2O)[nH+]cn1 1354226393 1170546561 /nfs/dbraw/zinc/54/65/61/1170546561.db2.gz MPNHJKXYDNVJRC-PHDIDXHHSA-N 1 1 180.211 -0.006 20 0 ABADMO C[C@@H]([NH3+])CN(C)C(=O)C1(N(C)C)CC1 1354450618 1170547518 /nfs/dbraw/zinc/54/75/18/1170547518.db2.gz PYKBLPYXCCOHSW-MRVPVSSYSA-N 1 1 199.298 -0.114 20 0 ABADMO C[C@H]([NH3+])CN(C)C(=O)C1(N(C)C)CC1 1354450621 1170547661 /nfs/dbraw/zinc/54/76/61/1170547661.db2.gz PYKBLPYXCCOHSW-QMMMGPOBSA-N 1 1 199.298 -0.114 20 0 ABADMO CCN(CC[NH3+])C(=O)C1(N(C)C)CC1 1354397156 1170547729 /nfs/dbraw/zinc/54/77/29/1170547729.db2.gz LVKNJNNRFCHXBS-UHFFFAOYSA-N 1 1 199.298 -0.112 20 0 ABADMO Nc1cc(N[C@H]2C[C@@H](O)C2)nc[nH+]1 1354214228 1170547991 /nfs/dbraw/zinc/54/79/91/1170547991.db2.gz VPGULLKZLNDTPE-OLQVQODUSA-N 1 1 180.211 -0.006 20 0 ABADMO Nc1cc(N[C@H]2C[C@@H](O)C2)[nH+]cn1 1354214228 1170547995 /nfs/dbraw/zinc/54/79/95/1170547995.db2.gz VPGULLKZLNDTPE-OLQVQODUSA-N 1 1 180.211 -0.006 20 0 ABADMO O=C1CC[C@@H](C[N@@H+]2CC[C@H]2CO)N1 1355060370 1170549203 /nfs/dbraw/zinc/54/92/03/1170549203.db2.gz LUHHAUMKFMPBML-YUMQZZPRSA-N 1 1 184.239 -0.668 20 0 ABADMO C[S@](=O)CC[N@@H+]1CC[C@@H]1CO 1355061516 1170549767 /nfs/dbraw/zinc/54/97/67/1170549767.db2.gz QGGZLGQRXLSWRY-HQJQHLMTSA-N 1 1 177.269 -0.569 20 0 ABADMO C[S@](=O)CC[N@H+]1CC[C@@H]1CO 1355061516 1170549773 /nfs/dbraw/zinc/54/97/73/1170549773.db2.gz QGGZLGQRXLSWRY-HQJQHLMTSA-N 1 1 177.269 -0.569 20 0 ABADMO C[S@@](=O)CC[N@@H+]1CC[C@@H]1CO 1355061519 1170550514 /nfs/dbraw/zinc/55/05/14/1170550514.db2.gz QGGZLGQRXLSWRY-RDDDGLTNSA-N 1 1 177.269 -0.569 20 0 ABADMO C[S@@](=O)CC[N@H+]1CC[C@@H]1CO 1355061519 1170550517 /nfs/dbraw/zinc/55/05/17/1170550517.db2.gz QGGZLGQRXLSWRY-RDDDGLTNSA-N 1 1 177.269 -0.569 20 0 ABADMO OC[C@H]1CC[N@H+]1CCn1cncn1 1355060798 1170550764 /nfs/dbraw/zinc/55/07/64/1170550764.db2.gz NVKVOAWQNNOEME-MRVPVSSYSA-N 1 1 182.227 -0.655 20 0 ABADMO O=C1CC[C@@H](C[N@@H+]2CC[C@@H]2CO)N1 1355060368 1170550814 /nfs/dbraw/zinc/55/08/14/1170550814.db2.gz LUHHAUMKFMPBML-JGVFFNPUSA-N 1 1 184.239 -0.668 20 0 ABADMO C[S@](=O)CC[N@@H+]1CC[C@H]1CO 1355061511 1170550877 /nfs/dbraw/zinc/55/08/77/1170550877.db2.gz QGGZLGQRXLSWRY-CPCISQLKSA-N 1 1 177.269 -0.569 20 0 ABADMO C[S@](=O)CC[N@H+]1CC[C@H]1CO 1355061511 1170550881 /nfs/dbraw/zinc/55/08/81/1170550881.db2.gz QGGZLGQRXLSWRY-CPCISQLKSA-N 1 1 177.269 -0.569 20 0 ABADMO C[S@@](=O)CC[N@@H+]1CC[C@H]1CO 1355061520 1170551159 /nfs/dbraw/zinc/55/11/59/1170551159.db2.gz QGGZLGQRXLSWRY-WRWORJQWSA-N 1 1 177.269 -0.569 20 0 ABADMO C[S@@](=O)CC[N@H+]1CC[C@H]1CO 1355061520 1170551164 /nfs/dbraw/zinc/55/11/64/1170551164.db2.gz QGGZLGQRXLSWRY-WRWORJQWSA-N 1 1 177.269 -0.569 20 0 ABADMO OC[C@@H]1CC[N@H+]1CCn1cncn1 1355060801 1170551287 /nfs/dbraw/zinc/55/12/87/1170551287.db2.gz NVKVOAWQNNOEME-QMMMGPOBSA-N 1 1 182.227 -0.655 20 0 ABADMO Cn1cc(C[NH2+]C[C@@H]2COCO2)nn1 1355322049 1170552779 /nfs/dbraw/zinc/55/27/79/1170552779.db2.gz OKALTLCQYGETNN-MRVPVSSYSA-N 1 1 198.226 -0.722 20 0 ABADMO Cn1cc(C[NH2+]C[C@H]2COCO2)nn1 1355322051 1170553309 /nfs/dbraw/zinc/55/33/09/1170553309.db2.gz OKALTLCQYGETNN-QMMMGPOBSA-N 1 1 198.226 -0.722 20 0 ABADMO C[C@H](O)[C@H](C)[N@H+]1CC[C@H]1CO 1355393156 1170554742 /nfs/dbraw/zinc/55/47/42/1170554742.db2.gz JQRHOWZDYWCJET-FXQIFTODSA-N 1 1 159.229 -0.178 20 0 ABADMO [NH3+][C@H]1C[C@H](C(=O)Nc2c[nH]nn2)C1 1355663120 1170555270 /nfs/dbraw/zinc/55/52/70/1170555270.db2.gz KTPXSWHFVHMLHU-URHBZAFASA-N 1 1 181.199 -0.520 20 0 ABADMO C[C@H](O)[C@@H](C)[N@H+]1CC[C@H]1CO 1355393155 1170555369 /nfs/dbraw/zinc/55/53/69/1170555369.db2.gz JQRHOWZDYWCJET-CSMHCCOUSA-N 1 1 159.229 -0.178 20 0 ABADMO CC(C)C[NH2+]CC(=O)Nc1c[nH]nn1 1355663278 1170555465 /nfs/dbraw/zinc/55/54/65/1170555465.db2.gz OEICOCMBNXXWOD-UHFFFAOYSA-N 1 1 197.242 -0.011 20 0 ABADMO C[C@H](O)[C@@H](C)[N@H+]1CC[C@@H]1CO 1355393157 1170555613 /nfs/dbraw/zinc/55/56/13/1170555613.db2.gz JQRHOWZDYWCJET-GJMOJQLCSA-N 1 1 159.229 -0.178 20 0 ABADMO [NH3+][C@@H]1CC=C(C(=O)Nc2c[nH]nn2)C1 1355663699 1170555805 /nfs/dbraw/zinc/55/58/05/1170555805.db2.gz SUGQHRMSCNAZFY-ZCFIWIBFSA-N 1 1 193.210 -0.209 20 0 ABADMO C[C@H](O)[C@H](C)[N@H+]1CC[C@@H]1CO 1355393154 1170556018 /nfs/dbraw/zinc/55/60/18/1170556018.db2.gz JQRHOWZDYWCJET-BIIVOSGPSA-N 1 1 159.229 -0.178 20 0 ABADMO [NH3+][C@H]1CC=C(C(=O)Nc2c[nH]nn2)C1 1355663696 1170556133 /nfs/dbraw/zinc/55/61/33/1170556133.db2.gz SUGQHRMSCNAZFY-LURJTMIESA-N 1 1 193.210 -0.209 20 0 ABADMO C[NH2+]CCNC(=O)CCc1c[nH]nn1 1356498903 1170557660 /nfs/dbraw/zinc/55/76/60/1170557660.db2.gz LFDUWEQDPLFTJS-UHFFFAOYSA-N 1 1 197.242 -0.927 20 0 ABADMO C[NH2+]CCNC(=O)CCc1cnn[nH]1 1356498903 1170557663 /nfs/dbraw/zinc/55/76/63/1170557663.db2.gz LFDUWEQDPLFTJS-UHFFFAOYSA-N 1 1 197.242 -0.927 20 0 ABADMO C[C@H](C(=O)N[C@H]1C[C@H]([NH3+])C1)N(C)C 1356433795 1170558799 /nfs/dbraw/zinc/55/87/99/1170558799.db2.gz PVXVJXJEOTWCRM-BWZBUEFSSA-N 1 1 185.271 -0.458 20 0 ABADMO CC[C@@H]([NH3+])CNC(=O)C1(N(C)C)CC1 1357475745 1170559601 /nfs/dbraw/zinc/55/96/01/1170559601.db2.gz ZIHPNMIGTKLCMP-MRVPVSSYSA-N 1 1 199.298 -0.066 20 0 ABADMO CN(C)C1(C(=O)NCC2C[NH2+]C2)CC1 1357444092 1170559749 /nfs/dbraw/zinc/55/97/49/1170559749.db2.gz OZBDCEYZVATPEV-UHFFFAOYSA-N 1 1 197.282 -0.584 20 0 ABADMO CC[C@H]([NH3+])CNC(=O)C1(N(C)C)CC1 1357475750 1170559866 /nfs/dbraw/zinc/55/98/66/1170559866.db2.gz 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197.282 -0.504 20 0 ABADMO CNC(=O)CC[N@H+]1CCC[C@@H]1C(N)=O 1460099741 1170576007 /nfs/dbraw/zinc/57/60/07/1170576007.db2.gz KCPYQLYMZWEYBO-SSDOTTSWSA-N 1 1 199.254 -0.928 20 0 ABADMO C[C@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](O)[C@H]2C1 1460774822 1170580104 /nfs/dbraw/zinc/58/01/04/1170580104.db2.gz QKXZEZNNEBEEQK-LURQLKTLSA-N 1 1 198.266 -0.437 20 0 ABADMO COCC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 1460230067 1170580437 /nfs/dbraw/zinc/58/04/37/1170580437.db2.gz SNJZMAFUVIKAEH-BDAKNGLRSA-N 1 1 198.266 -0.205 20 0 ABADMO C[C@@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](O)[C@H]2C1 1460774824 1170580654 /nfs/dbraw/zinc/58/06/54/1170580654.db2.gz QKXZEZNNEBEEQK-UYXSQOIJSA-N 1 1 198.266 -0.437 20 0 ABADMO C[C@@H](O)[C@@H](CO)[NH2+]Cc1cc[nH]n1 1461566255 1170581583 /nfs/dbraw/zinc/58/15/83/1170581583.db2.gz QLNAGCQCKVKHPO-HTRCEHHLSA-N 1 1 185.227 -0.759 20 0 ABADMO O=C1CC(C(=O)NCC[NH+]2CCC2)C1 1466264209 1170589266 /nfs/dbraw/zinc/58/92/66/1170589266.db2.gz CENSQJFVCUEOAH-UHFFFAOYSA-N 1 1 196.250 -0.213 20 0 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